Materials Science Researchers Brochure 2013

8/21/2019 Materials Science Researchers Brochure 2013

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This booklet provides brief presentations of the research in the Area ofAdvance – Materials Science in Gothenburg, a strong scientific com-munity with governmental funding for strategic research environments. Itincludes research in materials science at Chalmers and at the Depart-ment of Biomaterials at Sahlgrenska Academy, University of Gothenburg(GU). To provide a flavor of the activities we present the academic staffat Chalmers and GU Biomaterials engaged in the Area of Advance.

The Area of Advance is based on five excellence profiles: Materials forHealth, Materials for Energy Applications, Sustainable Materials, Exper-imental Methods, and Theory and Modeling. The first three are directedtowards applications and grand challenges for the society while the twolatter are generic, laying the foundation for breakthroughs in materialsscience.

The researchers presented in the brochure are all active in one or moreof the five profiles. Together they perform cutting edge research withthe aim to contribute to finding solutions to important challenges in thematerials field such as:

• More materials must be based on renewable feedstock

• Construction materials must become lighter; lighter constructions save

both energy and materials• New and improved ways for supply, transport, storage and conversion

of energy require innovative new materials

• Functional materials, i.e. materials that utilize the native properties andfunctions of their own to achieve an intelligent action, wi ll becomemore important

• Regenerative medicine will put high demands on the materials involv-ing both mechanical aspects and functionality

The aim of the Area of Advance is to combine scientific excellence andrelevance for society. It stretches from education on the master and PhDlevels to innovation. It includes five departments at Chalmers and theDepartment of Biomaterials at University of Gothenburg.

There are several centers of excellence in materials science operatingunder the umbrella of the Area of Advance – Materials Science. Thesecenters normally have long term joint funding from the Swedish gov-ernment and from a consortium of industries. The Centers for Catalysis,High Temperature Corrosion, Railway Mechanics, Supramolecular Bio-materials, and BIOMATCELL, as well as the Wallenberg Wood ScienceCenter are all strong entities with ten years or longer funding.

Gothenburg, August 2013

Peter ThomsenResponsible at GU

Aleksandar MaticDirector

Anders PalmqvistCo-Director


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Johan Ahlström Engineering metals for demanding applications. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5Martin Andersson Nanomaterials for Biological Applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5Mats Andersson Polymer Technology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6Hans-Olof Andrén Detailed microstructure of materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6Yu Cao Materials Characterization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7Per-Anders Carlsson Surface chemistry - heterogeneous catalysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7Dinko Chakarov Physics with applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8

Alexandre Dmitriev Functional optical nanomaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8Magnus Ekh Material mechanics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9Karin Ekström The role of exosomes and microvesicles in tissue healing and regeneration at the interface . . . . . . . . . . . . . . 9Annika Enejder Molecular Microscopy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .10Paul Erhart Electronic and atomic scale modeling of materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10Sten Eriksson Inorganic Materials - focus on complex oxides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11Lena K. L. Falk Microstructures of Inorganic Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11Mark Foreman Industrial Materials Recycling and Nuclear Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12Paul Gatenholm Structure property relationship in biopolymer based materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .12Stanislaw Gubanski High Voltage Engineering . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13Sheng Guo High-entropy Alloys . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .13Hanna Härelind Lean NOx reduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14Anders Hellman Use of computational methods to find sustainable ways to produce and utilize energy . . . . . . . . . . . . . . . .14

Anne-Marie Hermansson Microstructure design of soft materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15Krister Holmberg Surfactants and biomolecules at interfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15Fredrik Höök Small-scale sensors and cell-membrane manipulation for life science applications . . . . . . . . . . . . . . . . . . . . . . .16Per Hyldgaard Theory of materials binding and function . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16Patrik Johansson Next Generation Batteries (NGB) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17Alexey Kalabukhov Physics of functional oxide films and heterostructures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 17Maths Karlsson Structure and dynamics in functional oxides . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18Uta Klement Materials Characterization/Nanomaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18Anette Larsson Design of new polymer materials for controlled release . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19Ragnar Larsson Computational c ontinuum-atomistic modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19Johan Liu Manufacturing and characterisation of nanomaterials and processes for thermal management . . . . . . . . . . . . . . .20Anna Martinelli Ionic liquid derived materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20Aleksandar Matic Soft Matter Physics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .21

Bengt-Erik Mellander Innovative energy conversion devices . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21Kasper Moth-Poulsen Design and synthesis of new self-assembled molecular materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . .22Christian Müller Polymer Technology . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .22Stefan Norberg Disordered Crystalline Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23Lars Nordstierna Soft Matter Characterization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23Mats Norell Engineering metal surfaces . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 24Lars Nyborg Surface and Interface Engineering of PM materials and Advanced Alloys . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .24Lars Öhrström Metal-Organic Frameworks . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 25Louise Olsson Emission cleaning from vehicles using heterogeneous catalysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .25Eva Olsson Functional structures of nanostructured materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26Anders Palmquist Osseointegration: from macro to nano . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26Anders Palmqvist Functional Materials Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 27Christer Persson M a t e r i a l s E n g i n e e r i n g . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2 7

Mikael Rigdahl Polymeric materials and composites . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28Jonas Ringsberg Lightweight Structures and Material Characterisation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28Per Rudquist Liquid Crystals . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29Elsebeth Schröder Atomic scale theory for sparse matter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29Magnus Skoglundh Emission Control and Energy-related Catalysis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30Krystyna Stiller Material Physics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .30Jan-Erik Svensson Materials chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31Jan Swenson Physics of soft and biological materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 31Luping Tang Building Materials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 32Pentti Tengvall Biomaterials. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .32Peter Thomsen Biomaterials . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33Göran Wahnström Materials Modelling and Simulation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 33Shumin Wang Semiconductor heterostructures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34

Ergang Wang Polymer Electronics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .34Gunnar Westman Soft Matter Synthesis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .35Dag Winkler Complex metal oxide heterostructures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35August Yurgens L o w - d i m e n s i o n a l e l e c t r o n s y s t e m s . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3 6


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5Materials Science at Chalmers and GU Biomaterials

Some properties of engineering metals are inherent from the elements they arecomposed of, for example stiffness and density. Other properties like strengthor hardness and toughness can be tailored during material and component man-ufacturing. For estimates of the performance in the application, it is importantto evaluate the material characteristics in the component and also consider thestability of properties during service, which often comprises high mechanicaland thermal loads. A combination of testing and modelling is needed for theevaluation.

The experimental work includes studies of monotonic and cyclic deformationbehaviour and its relation to microstructure, temperature and strain rate. Theresults are used both for physical interpretation of the material behaviour andused as input for numerical modelling of mechanical property development bothin production and later, during service. Also connected phenomena like phasetransformations, residual stresses and crack growth are studied.

An example is outlined in the figure which shows computed residual stresses ina martensitic coin (ø=22.5 mm, t=3 mm) after laser heating of top surface cen-tre to 575°C for 2 s. Deformations are enlarged 50x to show volume shrinkageon martensite tempering. Material models were achieved by laser irradiation ex-periments, dilatometry and mechanical testing at elevated temperatures [Ref 1].

Stresses in martensiticcoin after laser heating

Selected Publications

Influence of short heat pulses on properties of martensite in mediumcarbon steels; K. Cvetkovski, J. Ahlström and B. Karlsson; MaterialsScience and Engineering: A, 561, 321-328 (2013)

Modeling of Distortion during Casting and Machining of AluminumEngine Blocks with Cast-in Gray Iron Liners; J. Ahlström and R. Larsson;Materials Performance and Characterization, 9 (5) 1-19 (2012)

Mechanical behaviour of a rephosphorised steel for car bodyapplications: Effects of temperature, strain rate and pretreatment; Y.Cao, J. Ahlström and B. Karlsson; Journal of Engineering Materials andTechnology, 133, 021019-1 - 021019-11 (2011)

Engineering metals for demandingapplications

Johan AhlströmDocent

MSc Chalmers University of TechnologyPhD Chalmers University of Technology

+46 (0) 31 7721532 [email protected]

We utilize nanochemistry to design nanomaterials for biological applications.Even though the field originates from the field of chemistry, the subject is highlymultidisciplinary including biology, medicine and physics. Our research interestsare:

BIOMIMETIC SYNTHESIS: Inspired by nature, we are mimicking the natural bot-tom up fabrication approach of synthesizing structures on the nanometer lengthscale. In specific, we are synthesizing various types of calcium phosphates,titania and silica having designed nano-sized features.

REGENERATIVE MEDICINE: In the field of regenerative medicine we arefocusing on nanostructured implant surfaces both to increase and speed up theirintegration in tissue and to be able to control the release of certain drugs. In thisresearch field we are collaborating with leading surgeons to perform preclinical

studies.NANOTOXICOLOGY: Major concerns have recently been directed towards thepossible toxicity of nanomaterials. Within this research field we are focusing onhow the properties of nanoparticles, such as size, shape, crystallinity and surfacechemistry effects their toxicity and ability to penetrate biological barriers such asthe skin.

A cross-sectional TEM image of adrug containing mesoporous implant

surface ex vivo


Formation of bone-like nanocrystalline apatite using self-assembledliquid crystals; W. He, P. Kjellin, F. Currie, P. Handa, C. Knee, J. Bielecki, R.L. Wallenberg and M. Andersson; Chem. Mater. 24, 892-902 (2012)

Meso-ordered soft hydrogels, M. Claesson, K. Engberg, C.W. Frank andM. Andersson; Soft Matter 8, 8149-8156 (2012)

Osteoporosis drugs in mesoporous titanium oxide thin films improveimplant fixation to bone; N. Harmankaya, J. Karlsson, A. Palmquist, M.Halvarsson, K. Igawa, M. Andersson and P. Tengvall; Acta Biomater. 9,7064-7073 (2013)

Nanomaterials for Biological Applications

Martin AnderssonAssociate Professor


+46 (0) 31 7722966

[email protected]


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6 Materials Science at Chalmers and GU Biomaterials

A large part of our research is directed towards polymer electronics. A majoradvantage with polymer electronics is the ease by which the semiconductingpolymers can be deposited. It is no more difficult than printing a color magazine!The idea of printed electronics is realized today. Not on a commercial full scaleproduction, but on an advanced research level and the progress depends strong-ly on the development of new and better polymers.

The aim with the research is mainly focused on the design and synthesis ofnew conjugated polymers for efficient and stable electronics such as solar cells,

photo diodes, light-emitting diodes, lasers, thin film field effect transistors, elec-trochemical devices, sensorsƒ and to relate the chemical structure of the polymerto the device performance. If successful, this research is not only scientifically in-teresting but can also result in for example cheap solar cells and energy efficientlightning, which would be very beneficial for the environment and mankind.

Another central part of our research is focused on bulk polymers. One importanttask within this field is focused on developing isolating materials for high voltagecables, mainly in cooperation with different companies in the Gothenburg region.

Solutions of different conjugatedpolymers designed for the use in

solar cells


Semi-Transparent Tandem Organic Solar Cells with 90% InternalQuantum Efficiency; Z. Tang, Z. George, Z.F. Ma, J. Bergqvist, K.Tvingstedt, K. Vandewal, E. Wang, L.M. Andersson, M.R. Andersson,F.L. Zhang, O. Inganäs; Advanced Energy Materials 2(12), 1467-1476(2012)

An Easily Accessible Isoindigo-Based Polymer for High-PerformancePolymer Solar Cells; E. Wang, Z.F. Ma, Z. Zhang, K. Vandewal, P.Henriksson, O. Inganäs, F. Zhang, M.R. Andersson; Journal of theAmerican Chemical Society 133(36), 14244-14247 (2011)

Polymer Photovoltaics with Alternating Copolymer/Fullerene Blendsand Novel Device Architectures; O. Inganäs, F. Zhang, K. Tvingstedt, L.M.Andersson, S. Hellström, M.R. Andersson; Advanced Materials 22(20),E100-E116 (2010)

Polymer Technology

Mats Andersson

ProfessorMSc Chalmers University of TechnologyPhD Chalmers University of Technology

+46 (0) 31 [email protected]

We work with microscopy and microanalysis of primarily metallic materials usinghigh-resolution methods such as atom probe tomography (APT) in combination withelectron microscopy.

1. Design of new martensitic chromium steels for steam power plants. Today’s steelshave limited creep and oxidation resistance. In collaboration with the TechnicalUniversity of Denmark, Siemens and DONG we explore new ways of hardening byboron additions (Paper 1) and nanometer-sized Z-phase precipitates. The aim isto increase the service temperature from 600 to 650°C. This would increase thethermal efficiency by several percent and mean very large savings in CO

2 emissions,

since 70% of the World’s electricity is generated in fossil fueled steam power plants.

2. Plastic deformation of cemented carbides. Interfaces control e.g. sintering andplastic deformation behaviour of cemented carbides used for metal cutting opera-

tions. In collaboration with atomistic modelling at Chalmers, Sandvik and Seco Tools,plastic deformation and detailed microstructure is studied in detail (Paper 2, Figure).

3. Hydrogen pick-up of zirconium alloys. In collaboration with Westinghouse, Vatten-fall, Sandvik and EPRI, we study the mechanisms of hydrogen pick-up during corro-sion of zirconium fuel cladding materials in water reactors. A pathway for hydrogen inthe oxide was recently found (Paper 3).

WC/(Ta,W)C/Co with submono-layer Co (blue) segregation to

boundaries; APT image


Effect of boron on carbide coarsening at 600°C in 9-12% chromiumsteels; F Liu, DHR Fors, A Golpayegani, H-O Andrén and G Wahnström;Metall. Mater. Trans. A 43, 4053-4062 (2012)

Transition metal solubilities in WC in cemented carbide materials; JWeidow, S Johansson, H-O Andrén and G Wahnström; J. Amer. Cer. Soc.94, 605-610 (2011)

Enrichment of Fe and Ni at metal and oxide grain boundaries in corrodedZircaloy-2; G Sundell, M Thuvander and H-O Andrén; Corr. Sci. 65,10-12 (2012)

Detailed microstructure of materials

Hans-Olof AndrénProfessor


+46 (0) 31 7723309

[email protected]


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I have been working in the area of material’s characterization focusing on thesurface and interface analysis, with an emphasis on the spectroscopy such asX-ray photoelectron spectroscopy (XPS) and Auger electron spectroscopy (AES)with the sampling depth less than 10 nm. Surface analyses have found wideapplications at both basic and applied research levels in the areas including mi-croelectronics, sustainable energy sources, metallurgy, catalysis, coatings, poly-mer, corrosion, nanotechnology, tribology, and biomaterials. The abil ity of surfaceanalysis techniques to generate a deep understanding of surface phenomena isdemonstrated by the investigations of, for instance: i) Silicides contacts on semi-

conductor SiC contacts; ii) Systematic in-situ XPS study of transition metal sili-cides; iii) High temperature material for turbine structures - crack growth in grainboundaries; iv) High temperature corrosion in diesel exhaust gas after-treatmentsystems; v) Atmospheric corrosion of Mg alloys.

Another research focus is on the mechanical behaviours of engineering metalsand the correlation with microstructure, temperature and strain rate. Examplesof research topics include i) Effect of trace elements on structure and propertiesof Cu-based elastic alloy; ii) Materials behaviour in automotive crash situations -influence of mechanical and thermal pre-treatment.

XPS core level Ni 2p3/2 spectrafrom different silicides


Role of Nitrogen Uptake During the Oxidation of 304L and 904LAustenitic Stainless Steels; Y. Cao and M. Norell; Oxidation of MetalsDOI 10.1007/s11085-013-9391-1 (2013)

Materials Science and Engineering A 528 (6), 2570-2580 (2011)

Mechanical behaviour of a rephosphorised steel for car bodyapplications: Effects of temperature, strain rate and pretreatment; Y.

Cao, J. Ahlström and B. Karlsson; Journal of Engineering Materials andTechnology, 133, 021019-1 - 021019-11 (2011)

Materials Characterization

Yu Cao

Assistant ProfessorMSc Central South University, ChangshaPhD Chalmers University of Technology

+46 (0) 31 77212 [email protected]

My research concerns surface chemistry with particular focus on the designand studies of new catalyst-based concepts for environmental and sustain-able energy applications. I adopt a research approach that balances chemistryand physics with some elements of chemical engineering, which is suitable forheterogeneous catalysis research. I strive for cross-disciplinary collaborations joining methods from traditionally different disciplines as to advance the field of“time-resolved in situ studies of the surface chemistry of heterogeneous catalyticreactions at the atomic scale”. The aim is to better understand mechanisms andbasic principles behind activity, selectivity and durability for generic as well asmore specialised catalytic processes.

One recent example concerns characterisation of structure-function rela-tionships in methane oxidation over both supported catalysts and surfacesstudied primarily at large-scale European research facilities (ESRF/Grenoble,

PETRA III/Hamburg and MAX-lab/Lund). Time-resolved mass spectrometryand infrared spectroscopy with synchronous x-ray absorption spectroscopy orhigh-energy x-ray diffraction have been used in situ during transient conditionsto correlate activity/selectivity with adsorbate composition and chemical stateand physical structure of the catalyst. Also high-energy surface x-ray diffractionand high-pressure x-ray photoelectron spectroscopy have been used to studysurfaces in situ.

Heterogeneous catalysis involvesseveral research areas


In situ spectroscopic investigation of low-temperature oxidation ofmethane over alumina-supported platinum during periodic operation, E.Becker, P.-A. Carlsson, L. Kylhammar, M. A. Newton and M. Skoglundh, J.Phys. Chem. C 115, 944-951 (2011)

The active phase of Pd during methane oxidation, A. Hellman, A. Resta,N.M. Martin, J. Gustafson, A. Trinchero, P.-A. Carlsson, O. Balmes, R.Felici, R. van Rijn, J.W.M. Frenken, J. N. Andersen, E. Lundgren and H.Grönbeck, J. Phys. Chem. Lett. 3, 678-682 (2012)

Mechanisms behind sulfur promoted low-temperature oxidation ofmethane; D. Bounechada, S. Fouladvand, L. Kylhammar, T. Pingel E.Olsson, M. Skoglundh, J. Gustafson, M. Di Michiel, M. A . Newton and P.-A.Carlsson; Phys. Chem. Chem. Phys. 15, 8648-8661 (2013)

Surface chemistry - heterogeneouscatalysis

P h y s i c

sC h e m

i s t r y

Engineering

Catalysis

Per-Anders CarlssonAssociate Professor




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For an experimental physicist within the interdisciplinary area of Surface Sciencethe scientific challenges are numerous. My research interests are towards ex-amination of the fundamental energy and charge transfer between substrate andthe adsorbed layer as result of adsorption and during electron, ion and photonirradiation. Specifically, experimental evaluation of the mechanisms of opticalexcitations in nanoparticle- and nanocavity arrays and the related physical andchemical processes at their interfaces. Physics and chemistry of ice and carbonmaterials are of special interest.

As an example, three characteristic configurations of plasmonic NPs in themodel photocatalysts are examined in detail: Configuration S1 has metal NPsin contact with the TiO

2 films and the reactive environment; In S2, a separation

layer of SiO2 isolates NPs from both the TiO

2 films and the reactive environment;

and in S3, the NPs are in contact with the TiO2 films but not with the reactiveenvironment.

Plasmonics for solar photo catalysis


Photoinduced crystallization of amorphous ice films on Graphite; D.Chakarov and B. Kasemo, Physical Review Letters, 81, 23, 5181-5184(1998)

Grating formation by metal-nanoparticle-mediated coupling of light intowaveguided modes; L. Eurenius, C. Hägglund, B. Kasemo, E. Olsson andDinko Chakarov, Nature Photonics, 2, 6, 360-364 (2008)

Photodesorption of NO from graphite(0001) surface mediated by silverclusters; K. Wettergren, B. Kasemo and D. Chakarov, Surface Science,593, 1-3, 235-241 (2005)

Physics with applications

Dinko Chakarov

ProfessorMSc Sofia UniversityPhD Bulgarian Academy of Sciences


Our research explores functional bottom-up low-dimensional nanomaterials- with focus on magnetoplasmonics (nanoplasmonics + magnetism), nano-pho-tovoltaics and fundamentals of nano-optics. Low-dimensional means ultra-thinnanostructured layers that are patterned on solid supports. Bottom-up empha-sizes that such nanomaterials are produced by self-assembly nanofabrication, inparticular by the method developed at Chalmers - hole-mask colloidal lithogra-phy, HCL.

Particular interest is in nanomaterials that support surface plasmon polaritons (orlocalized surface plasmons, LSP) - collective oscillations of the charge carriers,induced by the electromagnetic radiation. The excited LSP resonances exist inconfined geometries - like fabricated with colloidal lithography nanoarchitec-tures (arrays of nanodisks, nanoellipses, nanocones and many others) - andare characterized by the strong absorption and scattering of the incoming light,

along with strongly enhanced electromagnetic fields in the direct proximity of thenanostructures. These features allow to address the fundamentals of light-matterinteractions, to design the next generation of solar cells and to drive the studieson optical manipulation of magnetization, to name the few.

Magnetoplasmonicnanoferromagnets (left);plasmon nanoantennas,

absorbing solar light


Plasmonic efficiency enhancement of high performance organic solarcells with a nanostructured rear electrode; B. Niesen, B.P. Rand, P. vanDorpe, D. Cheyns, L. Tong, A. Dmitriev and P. Heremans; AdvancedEnergy Materials, 2, 145-150 (2013)

Designer magnetoplasmonics with nickel nanoferromagnets; V. Bonanni,S. Bonetti, T. Pakizeh, Z. Pirzadeh, J. Chen, J. Nogués, P. Vavassori, R.Hillenbrand, J. Åkerman and A. Dmitriev; Nano Lett., 11, 5333-5338(2011)

Enhanced nanoplasmonic optical sensors with reduced substrate effect;A. Dmitriev, C. Hägglund, S. Chen, H. Fredriksson, T. Pakizeh, M. Käll,andD.S. Sutherland; Nano Lett., 8, 3893-3898 (2008)

Functional optical nanomaterials

Alexandre DmitrievAssociate Professor

MSc Rostov State UniversityPhD EPFL, Switzerland / Max Planck In-stitute for Solid State Research, Stuttgart

+46 (0) 31 7725177

[email protected]


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My research area is modeling of the mechanical behavior of the cyclic behaviorof metals. Current research projects deal with modeling of applications such assteel components in the railway industry and superalloy components in gas-tur-bines subjected to thermo-mechanical fatigue loading.

A focus area is the development of macroscopic models for steel that shouldcapture, e.g., the cyclic ratcheting behavior and, for large strains, the evolutionof anisotropy. Similar models can be used for superalloys subjected the hightemperatures. But in this case we must also consider difficulties such as creep

effects and the variation of temperature.Another focus area is multi-scale models for polycrystalline materials. In thismodeling approach we typically model the grains by using crystal plasticitymodels and then use computational homogenization to obtain the macroscopicresponse. A specific challenge has been to capture the Hall-Petch effect. Thisgoal has been targeted by developing gradient crystal plasticity models.

Accumulated plastic slip in anidealized polycrystal during

shear loading


Hybrid micro-macromechanical modelling of anisotropy evolution inpearlitic steel; N. Larijani, G. Johansson and M. Ekh; European Journal ofMechanics - A/Solids, 38, 38-47 (2013)

Experiments and modelling of the cyclic behaviour of Haynes 282, R.Brommesson and M. Ekh; Technische Mechanik, 32 (2-5), 130-145(2012)

Microscopic temperature field prediction during adiabatic loadingusing gradient extended crystal plasticity; S. Bargmann and M. Ekh;International Journal of Solids and Structures, 50 (6), 899-906 (2013)

Material mechanics

Magnus Ekh

ProfessorMSc Chalmers University of TechnologyPhD Chalmers University of Technology


The mechanisms of early bone formation at implant surfaces and the factorsinfluencing the maintenance of bone-implant contact, stability and function arenot fully understood. An increased understanding of the signalling during suchevents is important to obtain a basic understanding of the biological process inaddition to the possibilities to facilitate such events.

During recent years, exosomes have obtained extensive interest due to theirrole in cell-cell communication as well as their potential use as biomarkers andin therapy. Exosomes are small membrane vesicles (~100 nm) of endocyticorigin, consisting of a lipid membrane, proteins as well as different types of RNA.Exosomes are regarded as powerful mediators in cell-cell communication dueto their ability to shuttle functional RNA and proteins between cells, either in themicroenvironment or over a distance, thus regulating other cells.

The aim of our research is to examine the role of exosomes and other extracel-lular vesicles (EVs) in the communication between cells important during boneregeneration and implant healing. Currently, we study exosomes from cells thatare involved in inflammation, repair and regeneration (e.g human monocytesand human mesenchymal stem cells (MSCs). We have shown that exosomestake part in the communication between inflammatory cells and MSCs as wellin between MSCs. We aim to further evaluate the role of EVs in such events.Furthermore, we aim to investigate the potential use of exosomes to facilitatebone regeneration.

Transmission electron microscopypicture of exosomes, bar 20 nm


Importance of RNA isolation methods for analysis of exosomal RNA:evaluation of different methods; M. Eldh, J. Lötvall, C. Malmhäll, K.Ekström; Mol Immunol. 50(4), 278-86 (2012)

The stimulation of an osteogenic response by classical monocyteactivation; O.M. Omar, C. Granéli, K. Ekström, C. Karlsson, A. Johansson,J. Lausmaa, C.L. Wexell, P. Thomsen; Biomaterials. Nov, 32(32),8190-204 (2011)

Exosome-mediated transfer of mRNAs and microRNAs is a novelmechanism of genetic exchange between cells; H. Valadi, K. Ekström,A. Bossios, M. Sjöstrand, J.J. Lee, J.O. Lötvall; Nat Cell Biol. 9(6), 654-9(2007)

The role of exosomes and microvesiclesin tissue healing and regeneration at theinterface

Karin EkströmResearcher

MSc University of GothenburgPhD University of Gothenburg



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With the aim to visualize the molecular composition and structure of innovativematerials, we develop and apply a new category of microscopy techniques(CARS, SHG, THG, TERS ...) mapping inherent molecular vibrations of poly-mers, biomolecules (lipids, carbohydrates, structural proteins etc.) and metallicnanostructures requiring no artificial labeling. It opens up for unique studies,where molecular distributions and processes can be studied in their naturalcontext without the impact of bulky fluorophores or harsh sample preparations at100-300 nm resolution and 1 sec intervals. Examples of ongoing studies are (i)controlled formation of hydrophobic domains in recombinant-engineered protein

hydrogels in collaboration with the Heilshorn group at Stanford University, (ii)stem cell growth and differentiation in biomimicking materials for replacementtissues and 3D neuronal networks, and (iii) adhesion and interaction of livingcells with lipid bilayers.

The principles of CARS microscopy are schematically illustrated in the image:the excitation beams are tightly focused on the sample and form a beatingfield at a frequency matching that of the target molecule (here illustrated witha triglyceride) inducing a resonantly enhanced vibration. A time series of CARSmicroscopy images (1 minute interval) of the formation of an elastin-like, recom-binant-engineered protein hydrogel is shown, illustrating the establishment ofhydrophobic, elastin-rich domains at 37 deg C incubation (Collaborator: SarahHeilshorn).

The principles of CARSmicroscopy and images of aprotein-engineered hydrogel


Monitoring of lipid storage in C. elegans using CARS microscopy; T.Hellerer, C. Axäng, C.Brackmann, P. Hillertz, M. P ilon, and A. Enejder,PNAS 104, 14658-14663 (2007)

In situ imaging of collagen synthesis by osteoprogenitor cells inmicroporous bacterial cellulose scaffolds; C. Brackmann, M. Zaborowska,J. Sundberg. P. Gatenholm and A. Enejder; Tissue Engineering C 18,227-234 (2012), Image selected for cover page

Sequence-specific crosslinking of electrospun, elastin-like proteinpreserves bioactivity and native-like mechanics; P.L. Benitez, J.A. Sweet,H. Fink, K. Chennazhy, S.K. Nair, A. Enejder and S.C. Heilshorn; Adv.Healthcare Mat. 2, 114-118 (2013)

Molecular Microscopy

Annika Enejder

Associate ProfessorMSc Lund University of TechnologyPhD Lund University


Materials properties vary dramatically with both chemical composition and micro-structure. This situation provides rich opportunities for tailoring materials for spe-cific applications or even developing entirely new functionalities. The abundanceof chemical and microstructural parameters is associated with the challenge todiscriminate their respective contributions. Materials modeling plays an importantpart in this regard as it can provide unique insight and understanding.

Modeling complex materials requires calculation and simulation techniquesthat bridge several orders of length and time scales as well as a combinationof quantum and classical mechanics, statistical physics and thermodynamics.In our research we employ density functional theory based methods, classicalpotentials and lattice Hamiltonians in combination with molecular dynamics andMonte Carlo simulations. We are particularly interested in model construction asa means for bridging length and time scales.

Using these tools we explore the properties of functional oxides, energy ma-terials as well as metallic alloys with an emphasis on the role of defects andinterfaces. For example we investigate point defects in transparent conductingoxides, ferroelectrics, and radiation detector materials with regard to electronicand/or optical properties. Furthermore we are involved in research projectsconcerning interface mediated properties and precipitate formation in functionalas well as construction materials.

From electronic structure ofenergy materials to precipi-

tatation in metallic alloys


First-Principles Calculations of the Urbach Tail in the Optical AbsorptionSpectra of Silica Glass; B. Sadigh, P. Erhart, D. Åberg, A. Trave, E.Schwegler, and J. Bude; Phys. Rev. Lett. 106, 027401-027404 (2011)

Short-range order and precipitation in Fe-rich Fe-Cr alloys; P. Erhart, A.Caro, M. Caro, and B. Sadigh; Phys. Rev. B 77, 134206-134214 (2008).

Defect-dipole formation in copper-doped PbTiO3 ferroelectrics; R.-A.Eichel, P. Erhart, P. Träskelin, K. Albe, H. Kungl, and M. J. Hoffmann; Phys.Rev. Lett. 100, 095504-095507 (2008).

Electronic and atomic scale modeling ofmaterials

Paul ErhartAssistant Professor

MSc Technische Universität Darmstadt,GermanyPhD Technische Universität Darmstadt,Germany



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The group has a long-standing tradition of research on complex oxides withmain focus on perovskite and perovskite related compounds. Synthesis and de-velopment of preparative methods, and advanced structural characterisation arekey activities. We are experienced in preparing high temperature superconduct-ing cuprates, ferroic and magnetic materials as well as magnetolectric systems.

Today a large part of our effort is devoted to exploring the emerging field ofproton- and oxygen ion conducting materials, eventually for use as electrolytesin solid oxide fuel cells. Our aim is to acquire a better understanding of how

oxygen and proton content and local order can be linked to the ion conductingproperties. This will help us to predict new systems, and act as feedback to thesynthesis program.

In-house laboratories include preparative facilities (e.g. solid state sintering,mechanical alloying, solution, sol-gel, microwave and hydrothermal methods),TGA, DSC and x-ray diffractometers for studies of chemical reactions, phasetransitions and subtle structural transitions. In addition we are involved in theupgrade of two neutron powder diffractometers at the large-scale facility ISIS,Rutherford Appleton Laboratory, UK, and the design and implementation of asuite of sample environment cells. Unique in-situ studies are performed in theneutron beam to probe e.g. chemical reactions or fuel cell materials and batteriesunder real working conditions.

An ideal cubic perovskite,space group Pm-3m


Structural disorder in doped zirconia, part I: oxygen vacancy order inZr0.8(Sc/Y)0.2O1.9 investigated by neutron total scattering and moleculardynamics; S.T. Norberg, I. Ahmed, S.G. Eriksson, S. Hull, D. Marrocchelli,P.A. Madden, L. Peng and J.T.S. Irvine; Chemistry of Materials 23, 1356-1364 (2011)

Oxygen vacancy ordering within anion-deficient Ceria; S. Hull, S.T.Norberg, I. Ahmed, S.G. Eriksson, D. Marrocchelli and P.A. Madden;Journal of Solid State Chemistry 182, 2815-2821 (2009)

Location of deuteron sites in the proton conducting perovskiteBaZr

0.5In

0.5O

3-y; I. Ahmed, C. Knee, S.G. Eriksson, M. Karlsson, P.F.

Henry, A. Matic, D. Engberg and L. Börjesson; Journal of Alloys andCompounds 450, 103-110 (2009)

Inorganic Materials - focus on complexoxides

Sten ErikssonProfessor

MPhil University of GothenburgPhD University of Gothenburg


My research is concerned with relationships between microstructure and proper-ties of, principally, hard structural materials. The research involves the applica-tion of different scanning and transmission electron microscopy techniques forimaging and microanalysis. The work covers three areas of material’s science: (i)development and stability of nano-microstructure, (ii) toughening and strength-ening mechanisms, and (iii) deformation mechanisms. The development ofnano-microstructure under different processing and testing conditions is charac-terized by high resolution imaging and microanalysis, and the results are relatedto different parameters in the fabrication process and to the behaviour of thematerial under mechanical and thermal load. A significant part of the researchhas been concerned with the development of fine-scale microstructure duringsintering and crystallisation processes in ceramic and glass-ceramic materials.The mechanical and chemical behaviour of ceramic matrix composites, including

nanocomposite materials, has been investigated, and the role of the internalinterfaces in these materials has been addressed. My current research interestalso includes the structure and properties of polycrystalline cubic boron nitridematerials and cemented carbides for cutting tool applications.

The residual intergranular glassyphase in a silicon nitride ceramic


Imaging and Microanalysis of Liquid Phase Sintered Silicon-BasedCeramic Microstructures; L.K.L. Falk; J. Mater. Sci., 39, 6655-6673(2004)

Development of Microstructure during Creep of Polycrystalline Mulliteand a Mullite 5 vol% SiC Nanocomposite; S. Gustafsson, L.K.L. Falk, J.E.Pitchford, W.J. Clegg, E. Lidén and E. Carlström; J. Eur. Ceram. Soc., 29,539-550 (2009)

Effect of Composition on Crystallisation of Y/Yb-Si-Al-O-N B-PhaseGlasses; Y. Menke, L.K.L. Falk and S. Hampshire; J. Am. Ceram. Soc., 90,[5], 1566-1573 (2007)

Microstructures of Inorganic Materials

Lena K. L. Falk Professor


+46 (0) 31 7723321

[email protected]


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I hold the view that my goal as a chemist in Industrial Materials recycling isto “create new chemical processes for the recycling of that which is currentlyimpossible (or difficult) to recycle”. An important part of my work is to devisemethods of recycling “difficult” materials without causing a loss of quality of thematerial being recycled.

The substances which I am interested in the recycling of include metals; pre-cious metals (silver, gold and platinum group metals), base metals such as nickel,rare metals such as the lanthanides and radioactive metals such as americium.

I also have an interest in the recycling of organic compounds (such as polymers)and non-metals such as chlorine, bromine and other main group elements. In ad-dition to the recycling work I have an interest in the decontamination of waste toallow its cheap disposal while safeguarding human health and the environment.

I am also involved in the Nuclear Chemistry section where I have an interest in arange of topics including the chemistry of serious reactor accidents, the organicchemistry of low and intermediate level wastes (Mainly isosaccharinic acids) andin advanced separations.

I define nuclear chemistry as the chemistry associated with the nuclear fuelcycle, nuclear reactor operation, environmental radioactivity, radioactive waste,radiopharmaceuticals and other radioactive / nuclear technologies. My nucle-ar interests tend to be at the interface of this area with organic and inorganicchemistry.

A uranium complex of aBTBP, this complex relates

to the recycling of metals


Hydrogenation catalysts from used nickel metal hydride batteries,M.R.S.J. Foreman, C. Ekberg and A.O. Jensen, Green Chemistry 10,825-826 (2008)

Demonstration of a SANEX Process in Centrifugal Contactors usingthe CyMe4-BTBP Molecule on a Genuine Fuel Solution, D. Magnusson,B. Christiansen, M.R.S. Foreman, A. Geist, J.-P. Glatz, R. Malmbeck, G.Modolo, D. Serrano-Purroy and C. Sorel; Solvent Extraction and IonExchange 27, 97-106 (2009)

Synthesis, structure, and redox states of homoleptic d-block metalcomplexes with bis-1,2,4-triazin-3-yl-pyridine and 1,2,4-triazin-3-yl-bipyridine extractants, M.G.B. Drew, M.R.S. Foreman, A. Geist, M.J.Hudson, F. Marken, V. Norman and M. Weigl; Polyhedron, 25, 888-900(2006)

Industrial Materials Recycling andNuclear Chemistry

Mark ForemanAssociate Professor

BSc ARCS London Imperial CollegePhD Loughborough University


Biomimetic design requires an understanding of structure-property relation-ships at all length scales. The major interest is biomechanical behavior and cellresponse investigated by NMR.

Structure and unique properties of biological materials such as bone, wood,cartilage, jelly-fish, and shells are the objects of my studies. In my research I usethe principles of biomimetic design for the preparation of new materials usingrenewable building blocks. That includes biological fabrication through the useof enzymes, cells, and the coordination of biological systems. I am particularlyinterested in designing and preparing new biomaterials which can replace orregenerate tissue and organs and have been working closely with cardiovascularsurgeons to develop technology for the production of small calibre blood vessels.We use bacteria to spin nanocellulose fibrils which are assembled into robustbiocompatible materials. The bacterial cellulose blood vessel project is currently

undergoing translation for clinical application. Collaboration with orthopaedicsurgeons to develop scaffolds to grow cartilage, meniscus and bone is an ad-ditional aspect of the research. Recent projects involve transformation of woodbased polymers such as hemicelluloses, cellulose and lignin into new generationof sustainable materials.

Nanocellulose biomaterialbiosynthesized by bottom up

fabrication process


Cobalt (II) Chloride Promoted Formation of Honeycomb PatternedCellulose Acetate Films; O. Naboka, A. Sanz-Velasco, P. Lundgren, P.Enoksson and P. Gatenholm; Journal of Colloid and Interface Science,367(1), 485-93 (2012)

Flexible Oxygen Barrier Films from Spruce Xylan, M. Escalante, A.Goncalves, A. Bodin, A. Stepan, C. Sandström, G. Toriz and P. Gatenholm;Carbohydrate Polymers, 87, 4, 2381-2387 (2012)

In situ imaging of collagen synthesis by osteoprogenitor cells inmicroporous bacterial cellulose scaffolds; C. Brackmann, M. Zaborowska,

J. Sundberg, A. Enejder and P. Gatenholm, Tissue Engineering, Part C,18, 3, 227-234 (2012)

Structure property relationship inbiopolymer based materials

Paul GatenholmProfessor

BSc, Stockholm UniversityPhD, Chalmers University of Technology



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We continuously seek innovative solutions within applications of different pro-cesses and materials in electro-technical industry, where material characteriza-tions, simulations, technology and measurements are in focus. Three main areasdominate our activities today, which include (i) applications of polymeric materialsfor insulation of high voltage apparatuses, especially for DC and high frequencystressed systems, (ii) simulations of electro-physical phenomena in dielectricand magnetic materials, as well as (iii) development of diagnostic measuringtechnologies for assessment of insulation state for prediction of its life time.Scientific and engineering problems are approached by combined experimen-

tal and theoretical methods and the research tasks are solved in a strong andmultidisciplinary environment, including cooperation with other academic groups,with professional organizations like CIGRE and IEEE and with industrial partnersin Sweden and internationally. Especially successful have been our contribu-tions related to the applications of polymeric materials in outdoor environmentsand on the development of insulation diagnostics based on dielectric responsemeasurements in frequency domain. In continuation, an area of special interestis in developing polymeric materials that can stand higher operating stresses foroptimizing design of cable insulation. New solutions where the desired propertiescan be achieved include polymeric materials containing nano-fillers and voltagestabilizers.

Electric trees grown around a wireelectrode in crosslinked polyethylene


Effects of long term corona and humidity exposure of silicone rubberbased housing materials; M. Bi, S.M. Gubanski, H. Hillborg, J.M. Seifertand B. Ma; Electra, 267, 4-15 (2013)

Dielectric Properties of Transformer Oils for HVDC Applications; L. Yang,S.M. Gubanski, Y.V. Serdyuk and J. Schiessling; IEEE Trans. on Diel. andEl. Ins, 19, 1926-1933 (2012)

Influence of Biofilm Contamination on Electrical Performance of SiliconeRubber Based Composite Materials; J. Wang, S.M. Gubanski, J. Blennow,S. Atarijabarzadeh, E. Strömberg and S. Karlsson; IEEE Trans. on Diel.and El. Ins, 19, 1690-1699 (2012)

High Voltage Engineering

Stanislaw Gubanski

ProfessorMSc Technical University of WroclawPhD Technical University of Wroclaw


High-entropy alloys (HEAs), or multi-component alloys with equiatomic or close-to equiatomic compositions, emerge as a new type of advanced metallic materi-als, and have received increasing attentions from the materials community. HEAspossess some excellent mechanical and physical properties, and they have greatpotential to be used as high temperature materials, or coating materials requiringhigh hardness and high wear resistance.

My research interests are on the phase stability and mechanical behavior ofHEAs. First, I aim at establishing physical metallurgy principles to control thesolid solutions, intermetallic compounds or the amorphous phase formationin HEAs, simply from adjusting the alloy compositions. In terms of the solidsolutions, a refined prediction on the fcc (face centered cubic) type or bcc(body centered cubic) type solid solutions is necessitated, as they significantlydetermine the mechanical properties of HEAs. It is also my intention to reveal

the metastability of solid solutions in HEAs, combining both thermomechanicaltreatments and thermodynamic calculations.

Second, the simultaneous achievement of high strength and high ductility,particular at tension, is still a challenge for HEAs. One target of my research isto develop highly strong and ductile HEAs with suitable phase constitutions andmicrostructures, via the compositional optimization based on the above men-tioned physical metallurgy principles.

Some HEAs possess betterhigh-temperature performance than

commercial superalloys


Anomalous solidification microstructure in Co-free AlxCrCuFeNi

2 high-

entropy alloys; S. Guo, C. Ng, C.T. Liu; Journal of Alloys and Compounds,557, 77-81 (2013)

Entropy-driven phase stability and slow diffusion kinetics in anAl

0.5CoCrCuFeNi high entropy alloy; C. Ng, S. Guo, J.H. Luan, S. Shi and

C.T. Liu; Intermetallics, 31, 165-172 (2012)

Effect of valence electron concentration on stability of fcc or bcc phasein high entropy alloys; S. Guo, C. Ng, J. Lu, et al.; Journal of AppliedPhysics, 109,103505 (2011)

High-entropy Alloys

Sheng GuoAssistant Professor

MEng Central South UniversityPhD Oxford University

+46 (0) 31 7721254

[email protected]


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My research activities focuses on environmental catalysis, and more specifical-ly on lean NOx reduction, focusing on diesel- and lean-burn applications andalternatively fuelled vehicles. In catalysis research, fundamental knowledge aboutthe chemical reactions occurring on the catalyst surface is a prerequisite fordevelopment of new and efficient catalyst materials and concepts. In particulardesign and preparation of catalysts as well as characterization and evaluation ofthese materials, including in-situ studies of reaction mechanisms and formationof surface bound intermediate species, have been performed.

Recently, I have also started activities directed towards NOx reduction for ships,which is an emerging field owing to upcoming international legislations. Myvision is to work with environmental catalysis for energy efficient transportation,like bio-powered vehicles and ships. Both applications offer interesting and newscientific challenges. Urea-SCR is currently used by a few Swedish ship owners;however, the research has been restricted to stationary applications and vehicles,which has very different boundary conditions. Concerning bio-powered vehi-cles, the types of emissions and the conditions for e.g. NOx reduction puts newdemands on the catalytic system.

In-situ IR spectroscopy tofollow reaction mechanisms

over catalyst surfaces


Influence of carbon-carbon bond order and silver loading on the gasphase oxidation products and surface species in absence and presenceof NOx over silver-alumina catalysts; H. Härelind, F. Gunnarsson, S.M.Sharif Vaghefi, M. Skoglundh and P.-A. Carlsson; ACS Catal. 2,1615-1623 (2012)

Influence of ageing, silver loading and type of reducing agent on thelean NOx reduction over Ag-Al

2O

3 catalysts; F. Gunnarsson, J.-Y. Zheng,

H. Kannisto, C. Cid, A. Lindholm, M. Mihl, M. Skoglundh and H. Härelind;Topics Catal. 56, 416-420 (2013)

Effect of silver loading on the lean NOx reduction with methanol overAg-Al2O3; M. Männikkö, M. Skoglundh and H. Härelind; Topics Catal. 56,145-150 (2013).

Lean NOx reduction

1480

1460

1440

1420

1400

1380

1360

W a v e n u m b e r ( c m

- 1 )

1801501209060

Time (min)

Acetates

Formates

Hanna HärelindAssociate Professor

PhD Chalmers University of TechnologyLic. Eng. Chalmers University of Tech-nology


My long-term goal is to f ind new or improved ways of how to produce and utilizeenergy without severely affecting the environment. Research fields that I amworking in include surface science, heterogeneous catalysis and materials forenergy applications.

Recent research projects have focused on various oxidation processes. Thisincludes complete and partial oxidation of gas-phase methane, which hasimplications for environmental protection and fuel production. Similar motivationsapply for the photoelectrochemistry of methanol- and water-oxidation, wereremoval of organic material in waste-water and sustainable hydrogen productionare long-term goals.

I use several different computational methods, such as, density functional theorycalculations, molecular dynamics, Monte-Carlo techniques, and micro-kinetic

models. These multiscale methods allow a transfer our understanding of thedifferent processes involved at the atomic level to the realm of our macroscopicworld. For instance, the activation of gas-phase reactants on surfaces can bedirectly linked to the actual output of a catalyst.

Methan oxidation studied both byexperiment and theory


Mechanism for reversed photoemission core-level shifts of oxidized Ag;H. Grönbeck, S. Klacar, N.M. Martin, A. Hellman, E. Lundgren, and J.N.Andersen; Phys. Rev. B 85, 115445-115450 (2012)

The Active Phase of Palladium during Methane Oxidation; A. Hellman, A.Resta, N.M. Martin, J. Gustafson, A. Trinchero, P.-A. Carlsson, O. Balmes,R. Felici, R. van Rijn, J. Frenken, J.N. Andersen, E. Lundgren, and H.Grönbeck; J. Phys. Chem. Lett. 3, 678-682 (2012)

A First-Principles Study of Photo-Induced Water-Splitting on Fe2O3; A.Hellman and R.G.S. Pala; J. Phys. Chem. C, 115 (26), 12901-12907(2011)

Use of computational methods to findsustainable ways to produce and utilizeenergy

Anders HellmanAssociate Professor

MSc Linköping UniversityPhD University of Gothenburg



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My research is focused on microstructure design of soft materials to tailorproperties such as mass transport and rheological behaviour. This is on of thecornerstones of the SOFT Microscopy Centre as well as the VINN EXcellenceCentre SuMo biomaterials. The main model systems are single and compositephysical gels of proteins and polysaccharides where the structure can be tailoredby the kinetic balance of the mechanisms involved. This requires structurecontrol over a wide range of length scales as well as time scales. Combinationsof microscopy techniques are being used from high-resolution transmissionelectron microscopy to state of the art confocal laser scanning microscopy. New

techniques are being developed for 3D reconstruction as well as microscopy oftransient phenomena under dynamic conditions. Examples of model systems arebeta-lactoglobulin, pectin, gelatine, carrageenan, gels as well as composite gelsof proteins and polysaccharides. On- going PhD and post.doc projects deals witheffect of confinements on structure rearrangements, effects of heterogeneityand structure obstruction on diffusion and flow due to, in-situ measurements ofstructure formation and break-down and 3-D reconstructions. Main collaboratorsare Eva Olsson, Niklas Lorén, Anna Ström, Stefan Gustafsson and Mats Stadingat Chalmers and SIK-The Swedish Institute for Food and Biotechnology.

Structure design of interface andinterior of protein capsule


Effects of confinement on phase separation kinetics and finalmorphology of whey protein isolate-gellan gum mixtures; S. Wassén, N.Lorén, K. van Bemmel, E. Schuster, E.Rondeau and A.M. Hermansson;Soft Matter 9, 2738-2749 (2013)

Probe diffusion in kappa-carrageenan gels determined by fluorescencerecovery after bleaching; J. Hagman, N. Lorén, A.M. Hermansson; FoodHydrocolloids 29,106-1115 (2012)

Surface directed structure formation of bet-lactoglobulin insidedroplets; C. Öhgren, N. Lorén, A. Altskär and A.M. Hermansson;Biomacromolecules 12, 2235-2242 (2011)

Microstructure design of soft materials

Anne-Marie Hermansson

ProfessorMSc Chalmers University of TechnologyPhD Lund University


Our group has a long tradition of studying amphiliphilic compounds. In recentyears the focus has been on cleavable surfactants, gemini surfactants and sur-factants based on amino acids as polar headgroup. We carry out synthesis of thesurfactants and we study their self-assembly both in solution and at interfaces.We also explore amphiphilic silica nanoparticles as stabilizers for emulsions.Much of the work is performed in collaboration with other research groups andwith companies.

We synthesize mesoporous materials and use these as hosts for homogeneouscatalysts, both metal-organic complexes and enzymes. The metal organiccomplexes, for instance rhodium complexes, have been used for performingcarbon-carbon coupling reactions. The enzymatic work has a focus on lipases.We have studied the influence of pore size, size of the mesoporous particles andpH on the function of lipases immobilized into the pores.

In a project directed towards controlled delivery of biocides into chronicalwounds we investigate the action of peptidases on layer-by-layer structuresmade from oppositely charged polypeptides. Enzymatic degradation of the layerleads to release of the active substance into the wound.

Immobilization of lipaseinto the pores of ordered

mesoporous silica


Cationic ester-containing gemini surfactants: Determination ofaggregation numbers by time-resolved fluorescence quenching; A.R.Tehrani-Bagha, J. Kärnbratt, J.-E. Löfroth and K. Holmberg; J. ColloidInterface Sci. 376, 126-132 (2012)

Immobilization of lipase from Mucor miehei and Rhizopus oryzae intomesoporous silica-The effect of varied particle size and morphology;H. Gustafsson, E.M. Johansson, A. Barrabino, M. Odén, K. Holmberg;Colloids Surfaces B 100, 22-30 (2012)

Polypeptide multilayer self-assembly and enzymatic degradation on

tailored gold surfaces studied by QCM-D; M. Craig, R. Bordes and K.Holmberg; Soft Matter 8, 4788-4794 (2012)

Surfactants and biomolecules atinterfaces

Krister HolmbergProfessor




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The long term vision of our research is to contribute to translational life-scienceresearch and educational activities engaging several departments at Chalm-ers, University of Gothenburg as well as regional companies, institutes andtechnology transfer initiatives. At the heart of our activities is our tradition tocontribute to biointerface and biomaterial research by developing and applyingsurface-sensitive tools, such as quartz crystal microbalance with dissipation(QCM-D), ellipsometry, surface plasmon resonance (SPR), nanoplasmonics aswell as bioimaging using total internal reflection fluorescence (TIRF) and timeof flight secondary ion mass spectrometry (TOF SIMS). By combining these

concepts with advanced microfluidics and novel surface chemistries it is ourambition to address important needs and scientific questions identified togetherwith biologists, chemists and medical doctors as well as l ife-science compa-nies. A common denominator in this work is the use of cell-membrane mimicsand knowledge about lipid self-assembly, which is used to gain new insightsabout intermolecular interaction kinetics of importance in medical diagnostics,drug screening, drug delivery as well as vaccination, tissue engineering andnano-safety. In this way, we hope to contribute novel methods, materials and the-oretical approaches based on a unique position at the border between appliedphysics, material science, nano-science, electrical/chemical engineering, (bio)chemistry, biology and medicine.

Detection of the action of a singleezyme in cerebrospinal fluid


Time-Resolved Surface-Enhanced Ellipsometric Contrast Imaging forLabel-Free Analysis of Biomolecular Recognition Reactions on GlycolipidDomains; A. Gunnarsson, M. Bally, P. Jonsson, N. Medard and F. Höök;Analytical Chemistry. 84(15), 6538-45 (2012)

Continuous Lipid Bilayers Derived from Cell Membranes for SpatialMolecular Manipulation; L. Simonsson, A. Gunnarsson, P. Wallin, P.Jonsson and F. Höök; Journal of the American Chemical Society 133,14027-14032 (2011)

Norovirus GII.4 Virus-like Particles Recognize Galactosylceramides inDomains of Planar Supported Lipid Bilayers; M. Bally, G.E. Rydell, R.Zahn, W. Nasir, C. Eggeling, M.E. Breimer, L. Svensson, F. Höök and G.Larson; Angewandte Chemie Int Edit 51(48), 12020-12024 (2012)

Small-scale sensors and cell-membranemanipulation for life science applications

Fredrik Höök Professor



Computational theory of condensed matter faces a sparse-matter challenge.There is a clear need to develop and deepen our quantum-physical insight onthe binding in regions with low electron and atom densities, sparse regionswhere the ubiquitous van der Waals (vdW) forces contribute significantly to co-hesion and function. Sparse-matter problems are generic, with examples rangingfrom nanostructured materials, over important surface-science phenomena, andto the very broad set of soft-matter and biomolecular systems.

My research focuses on developments of the formally exact density functionaltheory (DFT) to more accurately describe sparse materials, primarily through ourcontributions to the internationally recognized van der Waals density function-al (vdW-DF) method [http://fy.chalmers.se/~schroder/vdWDF]. Additionalresearch components involve development of a nonempirical thermodynamicalaccount of nucleation and growth, as well as of a computational basis for investi-

gating interacting tunneling transport.

My research group is also successfully applying the vdW-DF method and othernonempirical methods to a broad range of surfaces, (molecular) overlayer, andto simple (bio-)molecular systems [http://fy.chalmers.se/~hyldgaar/SNIC/]. Myresearch focus is pursued in a broad international program and offers excitingchances for a detailed for comparison with experiments. In turn the theory-exper-iment calibration work defines important input for the method development.

Role of van der Waals forcesin materials: from surfaces to

carbon-based systems


Do two-dimensional “Noble Gas Atoms” Produce Molecular Honeycombsat a Metal Surface; J. Wyrick, D.-H. Kim, D. Sun, Z .Cheng, W. Lu, Y. Zhu,K. Berland, Y.S. Kim, E. Rotenberg, M. Luo, P. Hyldgaard, T.L. Einstein andL. Bartels; Nano Letters 11, 2944-2948 (2011)

Nonequilibrium thermodynamics of interacting tunneling transport:variational grand potential, universal density functional description, andnature of forces; P. Hyldgaard; J. Phys.:Condens. Matter 24, 424219(2012)

van der Waals density functional: Self-consistent potential and the natureof the van der Waals bond; T. Thonhauser, V. R. Cooper, S. Li, A. Puzder, P.Hyldgaard, and D. C. Langreth; Physical Review B 76, 125112-125123

(2007)

Theory of materials binding and function

Per HyldgaardProfessor

MSc University of CopenhagenPhD Ohio State University

+46 (0) 31 7728422

[email protected]


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Technology is always limited by the materials available - a very important insightif we want to achieve sustainable energy technologies for society development inthe 21st Century and beyond.

Particular focus is on materials for next generation batteries - beyond re-charge-able Li-ion batteries and their limitations in terms of performance, sustainabilityand safety. Two examples are Li-air and Li-sulphur batteries, which have a promiseof up to x10 capacity and thus a potential to revolutionize energy storage, notthe least needed for xEVs and electromobility. The most pertinent question is the

capacity fading and we use model systems to decipher the exact origins.Other examples of our NGBs are e.g Na-ion batteries, High temperature Li-bat-teries, and Structural batteries. In addition, we also address fundamental issues ofthe prevailing Li-ion battery technology, we develop new more stable anions/salts,often fluorine-free, and/or make use of ionic liquids to enable safer electrolytes.

These efforts are run alongside more industry oriented projects towards e.g.extending the life-time of PEM fuel cell membranes, creating safer Li-ion batteriesvia tailored additives, development of failure consequence analysis methods,life-cycle assessment of employing new materials etc.

We primarily connect molecular level analysis with macro-level observations forrational materials and concept improvement, all in national and international net-works and together with Swedish and European industry.

Next Generation Batteries


Novel pseudo-delocalized anions for lithium battery electrolytes; E.Jónsson, M. Armand and P. Johansson; Physical Chemistry ChemicalPhysics 14, 6021-6025 (2012)

Infrared spectroscopy of instantaneous decomposition products ofLiPF

6-based lithium battery electrolytes; S. Wilken, P. Johansson and P.

Jacobsson; Solid State Ionics 225, 608-610 (2012)

Li-O2 Battery Degradation by Lithium Peroxide (Li2O2): A Model Study; R.Younesi, M. Hahlin, F. Björefors, P. Johansson and K. Edström; Chemistryof Materials 25, 77-84 (2013)

Next Generation Batteries (NGB)

Patrik Johansson

ProfessorBSc Uppsala UniversityPhD Uppsala University


The complex oxides embody a broad range of materials with the same charac-teristic perovskite crystal structure, ABO

3, where A and B are usually alkaline

and transition metals, respectively. They exhibit a rich var iety of crystallographic,electronic and magnetic phases and are hosts of new important phenomena,including high-temperature superconductivity, colossal magnetoresistance,multi-ferroic behavior, and many others. They often called ñfunctional oxidesî,because their properties can be tuned by chemical doping, pressure, electric ormagnetic field without changing the crystal structure.

Our research is centered around polar oxide interfaces which are becoming a“building block” of oxide electronics. We fabricate var ious oxide thin films andinterfaces of insulating, metallic, superconducting, ferroelectric and ferromag-netic materials. Films are grown by pulsed laser deposition with in-situ electrondiffraction that allows for layer-by-layer atomic growth.

We are mainly interested in correlation between the microstructure of theinterfaces on the atomic level and their functional electrical properties. We usevarious methods to characterize them for field effect, magneto-resistance, photoand cathode luminescence, photo-induced charge carriers injection, and super-conductivity. Nanofabrication methods have also been developed using atomicforce microscopy lithography and electron-beam lithography.

Polar interface between LaAlO3 and

SrTiO3 perovskite oxides


Effect of oxygen vacancies in the SrTiO3 substrate on the electricalproperties of the LaAlO

3/SrTiO

3 interface; A. Kalabukhov, R.Gunnarsson,

J.Börjesson, E.Olsson, T. Claeson and D. Winkler, Phys. Rev. B 75,121404-121408(R) (2007)

Cationic Disorder and Phase Segregation in LaAlO3/SrTiO

3

Heterointerfaces Evidenced by Medium-Energy Ion Spectroscopy; A.Kalabukhov, Yu. Boikov, I. Serenkov, V. Sakharov, V. Popok, R.Gunnarsson,J.Börjesson, E.Olsson, N. Ljustina, T. Claeson and D. Winkler; Phys. Rev.Lett. 103, 146101-146105 (2009)

Nano-patterning of the electron gas at the LaAlO3/SrTiO3 interfaceusing low-energy ion beam irradiation; P.P. Aurino, A. Kalabukhov, N.Tuzla, E. Olsson, D. Winkler, and T. Claeson; Appl. Phys. Lett., 102,201610-201614 (2013)

Physics of functional oxide films andheterostructures

Alexey KalabukhovAssociate Professor

MSc Moscow State UniversityPhD Moscow State University



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My research group focuses on investigations of key fundamental propertiesof functional - mostly energy relevant - oxides. In addition to our expertiseand traditional focus on proton conducting oxides, which show potential fornext-generation intermediate temperature fuel cells, we are studying phosphorsfor use in solid state lighting, and most recently different types of oxides withmagnetic properties. A unifying theme is to investigate the mechanistic as-pects of structural defects and dynamical excitations (phonons, local vibrationalmodes, diffusional motions) on the atomic length scale, and to correlate thoseelementary materials properties to the functional, macroscopic, properties of the

materials. The primary tools to this end involve the use of neutron and synchro-tron x-ray scattering techniques (diffraction, absorption, reflectivity, inelasticand quasielastic methods) and light spectroscopy (Raman and infrared), oftencombined with complementary experimental techniques and theoretical modelingin collaboration with our research colleagues. We are therefore frequent users ofinstruments available at neutron and synchrotron sources around the world andto some extent also involved in the development of such methods.

Schematic picture of protondynamics in a proton conducting

perovskite type oxide


Perspectives of Neutron Scattering on Proton Conducting Oxides; M.Karlsson; Dalton Transactions 42, 317-329 (2013)

Polarized Neutron Laue Diffraction on a Crystal Containing DynamicallyPolarized Proton Spins; F.M. Piegsa, M. Karlsson, B. van den Brandt, C.J.

Carlile, E.M. Forgan, P. Hautle, J.A. Konter, G.J. McIntyre and O. Zimmer;Journal of Applied Crystallography 13, 30-34 (2013)

Using Neutron Spin-Echo to Investigate Proton Dynamics in Proton-Conducting Perovskites; M. Karlsson, D. Engberg, M.E. Björketun, A.Matic, G. Wahnström, P. G. Sundell, P. Berastegui, I. Ahmed, P. Falus,B. Farago, L. Börjesson and S. G. Eriksson; Chemistry of Materials 22,740-742 (2010)

Structure and dynamics in functionaloxides

Maths KarlssonAssistant Professor

MSc Uppsala UniversityPhD Chalmers University of Technology


To understand a materialÍs structure, how that structure determines its proper-ties, and how that material wi ll subsequently work in technological applications,we apply analytical electron microscopy (SEM, TEM) in combination with com-plementary techniques such as XRD, AES, XPS, DSC/TGA, etc.

Particular focus is put on the development and characterization of different typesof nanocrystalline and sub-microcrystalline materials (metallic, ceramic, andhybrids in a variety of sample forms) for functional applications. Corrosion- andwear resistance coatings as well as energy absorbing materials typically pro-duced by electroplating, thermal spray techniques, and mechanical alloying areinvestigated and optimized with respect to phase formation and texture, thermalstability, adhesion, etc. However, also structural materials like superalloys andadvanced steels are investigated to improve their production and/or application.

Within the scope of the Metal Cutting Research and Development Centre(MCR), materials characterization is applied to investigate processes occurringduring machining, e.g. microstructure influences on machinability of case harden-ing steel and white layer formation in hard turning. Aim is to achieve robust andpredictable manufacturing processes, lower energy and materials consumption,and reduced environmental impact.

EBSD orientation map of anannealed sub-microcrystalline

Nickel electrodeposit


Thermal stability of electrodeposited nanocrystalline Co - 1.1 at.% P; P.Pa-Choi, M. da Silva, U. Klement, T. Al-Kassab and R. Kirchheim; ActaMater. 53, 4473-4481 (2005).

Characterization and dielectric properties of beta-SiC nanofibres; Y. Yao,A. Jänis and U. Klement; Journal of Materials Science 43, 1094-1101(2008).

Characterization of the Surface Integrity induced by Hard Turning ofBainitic and Martensitic AISI 52100 Steel; S.B. Hosseini, K. Ryttberg, J.Kaminski and U. Klement; Procedia CIRP 1, 494-499 (2012).

Materials Characterization/Nanomaterials

Uta KlementProfessor

Diploma in physics, University of Göt-tingenDr. rer. nat., University of Göttingen

+46 (0) 31 7721264

[email protected]


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We are daily using a variety of polymers like biodegradable polymers, polysaccha-rides and in particular cellulose and cellulose derivatives in pharmaceuticals, me-dicinal devices and consumer products. My research focuses on polymers and howone can use them in films, gels or nanoparticles to tune the release rate of differentsubstances or drugs. My vision is that by starting from the molecular structures onecan control the microstructure and thus the mass transport through the material. Wehave for example shown that the drug release rate from hydrophilic matrix tabletsnot only depends on the molar mass and the degree of substitution, but also on thesubstitution pattern along the cellulose chain. A more heterogeneous substitution

pattern along the chain gave raise to stronger interactions between the chains andthus more shear resistant gels, slower erosion and drug release rates. By applyingthis knowledge, this will result in better reproducibility of drug release rates fromhydrophilic matrix tablets and safer medicines. This understanding is also essentialfor a more efficient design of oral controlled release formulations which will take newproducts faster to the market and the patients.

Other examples of the relationship between the molecular structure, microstructureand mass transport are that we can: (i) change the molecular weight and tune thephase separation and film formation process of cellulose derivate films for controlledrelease; (ii) surface modify nanocrystalline cellulose, NCC, and thus control thedistribution of NCC , the mechanical and mass transport properties of the biodegrad-able films or (iii) use water-in-oil emulsions to control porosity and pore interconnec-tivity in biodegradable foams.

SEM image of the surface of abiodegradable PHB foam


The effect of chemical heterogeneity of HPMC on polymer releasefrom matrix tablets; A. Viridén, B. Wittgren, T. Andersson and A. Larsson;European J Pharm Sci 36, 392-400 (2009)

Design and characterization of a novel amphiphilic chitosan nanocapsule-based thermo-gelling biogel with sustained in vivo release of thehydrophilic anti-epilepsy drug ethosuximide; M.-H. Hsiao, M. Larsson, A.Larsson, H. Evenbratt, Y.-Y. Chen, Y.-Y. Chen and D.-M. Liu; Journal ofControlled Rel. 161(3), 942-948 (2012)

A mechanistic modelling approach to polymer dissolution using magneticresonance microimaging; E. Kaunisto, S. Abrahmsen-Alami, P. Borgquist,A. Larsson, B. Nilsson and A. Axelsson; J Controlled Rel, 147, 232-241(2010)

Design of new polymer materials forcontrolled release

Anette LarssonProfessor

Ms Chalmers University of TechnologyPhD Chalmers University of Technology


A major focus for our contribution to the platform “theory and modeling” hasbeen related to the analysis of the mechanical properties of graphene mem-branes using a hierarchical modeling strategy to bridge the scales required todescribe and understand the material. The fundamental research issue is how toproperly relate Quantum Mechanical (QM) and optimized Molecular Mechanical(MM) models on the nanoscale to the device or micrometer scale, via a suitablemultiscale continuum mechanical method.

Reaction AFM force versus centermembrane displacement


Atomistic continuum modeling of graphene membranes; R. Larsson andK. Samadikhah; Comput. Mater. Sci., 50, 1744-1753, (2011)

Continuummolecular modelling of Graphene; K. Samadikhah, R. Larsson,F. Bazooyar and K. Bolton; Comput. Mater. Sci., 53 (1), 37-43 (2011)

Computational continuum-atomisticmodeling

Ragnar LarssonProfessor

PhD Chalmers University of TechnologyTekn. Lic. Chalmers University of Tech-nology



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The focus is on development of new thermal management materials andsolutions with emphasis on 3D CNT integration, CNT and graphene based heatdissipation, bumping technology, nano thermal interface materials, nano-sol-dering, high temperature stable conductive adhesives, scaffolds and pattern-ing for biomedical applications. Johan Liu is currently involved in research inthermo-electrical materials development and characterisation funded by theSwedish National Science Foundation program (VR) for on-chip cooling, by SSFwithin the material for energy program for energy harvesting and EU programs“Smartpower”, “Nanotherm”, “Nano-RF”, ”NanoTIM” and “Nanocom”, In addition to

this, he is funded by the National Swedish strategic research area in Production:“Area of Advance Production” and a number of large companies including SonyMobile Communications, Saab Defence Systems, Micronic-Mydata on pasivecooling using thermal interface material, CNT based 3D integration, cooling andinterconnect technology. His group has a size of 2 professors, 1 adjunct profes-sor, 1 associate professor, 1 postdoc and 7 Ph D students. His research high-lights: Pioneer in research on nano-thermal interface materials, CNT based 3 Dstacking and cooler, graphene as heat spreader, patterning of nano-scaffoldson Si and glass substrate for biomedical applications, nanomaterials enhancedsolder paste and conductive adhesives.

Mass transfer of CNTs on SiSubstrate using Indium after

TCVD growth


Ultrafast Transfer of Metal Enhanced Carbon Nanotubes at Low

Temperature for Large Scale Electronics Assembly; Y. Fu, Y. Qin, T. Wang, S.Chen and J. Liu; Advanced Materials 22 (44), 5039-5042 (2010)

Organic Thin Film Transistors with Anodized Gate Dielectric Patterned bySelf-Aligned Embossing on Flexible Substrates; Y. Qin, D.H. Turkenburg, I.Barbu, W.T.T. Smaal, K. Myny, W.-Y. Lin, G.H. Gelinck, P. Heremans, J. Liu andE.R. Meinders; Advanced Functional Materials 22 (6), 1209-1214 (2012)

Templated Growth of Covalently Bonded Three-Dimensional CarbonNanotube Networks Originated from Graphene; Y. Fu, B. Carlberg, N.Lindahl, N. Lindvall, J. Bielecki, A. Matic, Y. Song, Z. Hu, Z. Lai, L. Ye, J. Sun,Y. Zhang, Y. Zhang and J. Liu; Advanced Materials 24 (12),1576- 1581(2012)

Manufacturing and characterisation ofnanomaterials and processes for thermalmanagement in microelectronics andmicrosystems

Johan LiuProfessor

MSc Royal Institue of TechnologyPhD Royal Institute of Technology

+46 (0) 31 7723067 [email protected]

Our research aims at understanding structural and dynamical properties in ionicliquid derived materials. These include ionogels (i.e. ionic liquids nano-confinedinto networks of silica), water/ionic l iquid binary systems, and emulsion liquidmembranes. Altogether these materials find applications in chemical processeswith relevance to the issue of environmental impact and sustainable energysupply. Concrete examples of applications are in the proton exchange membranefuel cell, or the extraction of heavy metals from wastewater. The experimentaltechniques that we use comprehend vibrational spectroscopy (Raman andinfrared), small angle x-ray scattering (SAXS), and pulse field gradient magnet-ic resonance spectroscopy (PFG NMR), by which the space- and time-scalesof relevance can be accessed. I have also developed a cell for in situ confocalµ-Raman measurements on proton exchange membranes during H

2/O

2 Fuel

Cell operation. Our work is partly driven in collaboration with the Department

of Applied Physics at Chalmers and the National Polytechnic Institute (INP) atGrenoble (France).

An ionogel with 0.1 molefraction of ionic liquid


Insights into the interplay between molecular structure and diffusionalmotion in 1-alkyl-3-methylimidazolium ionic liquids:

Documents

Materials Science Researchers Brochure 2013