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Academy Colloquium on Immersed Boundary Methods:Current Status and Future Research Directions,
Amsterdam, Netherlands, 15.6.09 -17.6.09
A 3D higher-order FSI-Approach Applied to
M i Bi h i P bl i th P d tiMesoscopic Biophysics Problems in the Production
Process of Novel Spider Silk Materials -
Towards a Mesoscopic Biophysical FSI-Method
Ursula M. Mayer, A. Gerstenberger, W.A. Wall
Institute for Computational Mechanics, TU München, Germanyp , , y
Motivation
Towards a mesoscopic XFEM fluid-structure interaction-method
applicable to a variety of biophysical problems:
Production process of novel spider silkProduction process of novel spider silk
materials (e.g. drug delivery systems,
implant coating, silk fibers)implant coating, silk fibers)
Red blood cell suspensions, blood cell
in a contracting vessel g
Efficient swimming techniques of
(deformable) microswimmers and www.lifeforcehospitals.com ( )
microrobots
... http://robotics.technion.ac.il/Projects/microrobot.jpg
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
http://www.monash.edu.au/news/newsline/story/1038microrobot.jpg
Requirements of a (Mesoscopic) FSI-Method
Structure :Arbitrary movement, large deformation, large strain, arbitrary material modelMultiple bulky and thin walled structures (with consideration of the volume)Multiple bulky and thin-walled structures (with consideration of the volume)
Fluid :I ibl i fl (i i i bl )Incompressible, viscous flow (in many engineering problems)Wide range of applicable Reynolds number laminar & turbulent flows
I t fInterface :Physics of the interfaceConservation / dissipation propertiesProper approximation of the fluid boundary layerNo loss of accuracy due to coupling algorithm
Additional mesoscopic physical effects:Macromolecular interaction and contactBrownian motion http://robotics.technion.ac.il/Projects/
microrobot.jpg
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
http://www.monash.edu.au/news/newsline/story/1038microrobot.jpg
Overview
3D higher-order XFEM/LM-based fluid-structure interaction methodg
for arbitrarily moving and deforming structures
Interface localization and enrichment
Embedded Dirichlet conditions
Hybrid ALE – XFEM/LM approach
FE formulation of macromolecular interaction
FE contact formulation
(Brownian Motion)
Example applications
Conclusions and outlook
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Fluid-Structure Interaction Problem Formulation
Solid Continuum
Fluid Continuum
Solid Continuum
Fluid-Structure Interface
Fluid Momentum Balance
BoundaryDomain
Fluid Momentum Balance
Solid Momentum Balance
Fluid Continuity Equation
Fluid-Solid-Interface (e.g. no slip)
+ constitutive equations (Newtonian / Non-Newtonian; nonlinear viscoelastic)+ constitutive equations (Newtonian / Non-Newtonian; nonlinear viscoelastic)
→ purely FE-based (stabilized & mixed/hybrid)i h h d (BACI)
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
→ in-house research code (BACI)
Fluid-Structure Interaction from XFEM Perspective
Explicit fluid surface description : Embedded discontinuity :
Express the discontinuity in FE formulation (XFEM)Interface localization and removal of fictitious fluid domainEnforce velocity/force conditions at the interface
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
XFEM - FSI EXtended Finite Element Method
Extended Finite Element Method:
Applied to model the discontinuitiespp ed o ode e d sco u esEnrichment of Finite Element space
Enrichment with Heaviside function :
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
XFEM - FSI Interface Handling
Interface handling :
Localization of curved interfaces
in a possibly curved fixed-grid mesh
Subtetrahedralization of the
intersected fluid element
ffor exact numerical integration
Octtree-based determination of
th fl id d ithe fluid domain
Thin and thick structures
All element types: HEX8, HEX27, TET4, TET10, …
U.M. Mayer, A. Gerstenberger, W.A.Wall; Interface handling for three-dimensional higher-order XFEM-computations in fluid-structure interaction; IJNME; 2009
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
higher order XFEM computations in fluid structure interaction; IJNME; 2009
XFEM - FSI Interface Handling and Enrichment
Standard DOFLeft Surface DOF
Right Surface DOF
Pressure Solution
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Right Surface DOF
XFEM - FSI Embedded Dirichlet Conditions
3-field mixed/hybrid fluid formulation :
Velocity pressure stress :Velocity, pressure, stress :
Corresponding test functions:
Semi-discrete weak form with interface conditions: A. Gerstenberger, W.A. Wall; An embedded Dirichlet formulation for 3D continua; IJNME, 2009; submitted
Element stiffness matrix:Non-intersected elements:
decoupled element stressesp
Intersected Elements:condensation of element stresses
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
stresses
XFEM-FSI Hybrid ALE-XFEM/LM approaches
Moving mesh approach Fixed grid approaches
XFEM/LMHybrid ALE-XFEM/LMALE
W A Wall P Gamnitzer A Gerstenberger Fluid Structure interaction approaches on fixed grids based on two different domain decomposition ideasW.A. Wall, P. Gamnitzer, A. Gerstenberger, Fluid-Structure interaction approaches on fixed grids based on two different domain decomposition ideas, International Journal of Computational Fluid Dynamics, in press, 2008
A. Gerstenberger, W.A. Wall, Efficient treatment of moving interfaces on fixed grids for surface coupled problems, International Journal for Numerical Methods in Fluids, in press, 2008
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
XFEM-FSI Hybrid ALE-XFEM/LM approach
Starting point:3-field setup for FSI
Basic Idea: Add ani t di t ( i ) intermediate (moving) ALE mesh that fits the structural surface
XFEM Fluid-Fluid Coupling
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
XFEM - FSI Examples
Elastic ring in shear flow : towards red blood cell simulation
Cylinder in flow with Re = 49:
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
XFEM - FSI Intermediate Summary
3D higher-order XFEM/LM-based FSI-approach :
No limitation on complexity of structure (shape material deformation )No limitation on complexity of structure (shape, material, deformation,…)
Sharply defined interface with embedded Dirichlet conditionsLocal condensation of Lagrange multipliersIterative parallel solution with AMG preconditioner for fluid and structureIterative, parallel solution with AMG preconditioner for fluid and structure
Influence of “fictitious” fluid domain eliminatedNo incompressibility constraint on structureNo artificial viscosityNo artificial viscosity
Fluid solved on fixed Eulerian gridNo mesh distortion + update algorithmAny fluid element type possible (hex tet wedge )Any fluid element type possible (hex, tet, wedge,…)
Simple extension to hybrid (fixed/ALE) meshes
Based on established FSI coupling schemesBased on established FSI coupling schemes
Implementation in parallel
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Macromolecular Interaction Potentials
Finite element formulation for macromolecular interaction potentials :
T t t f lti b d l l i t ti ( i “ t t)Treatment of multi-body macromolecular interaction („mesoscopic“ contact)
3D dynamic finite element formulation (integrated in XFEM FSI-method)
Arbitrary shape of mesoscopic structures under finite deformationsArbitrary shape of mesoscopic structures under finite deformations
Applicable for any additive macromolecular interaction potentials
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Sauer R., Li S.; A contact mechanics model for quasi-continua; IJNME; 2007
Macromolecular Interaction Potentials
Total energy :
Potential energy term due to a surface interaction potential :
Potential energy term due to a volume interaction potential :Potential energy term due to a volume interaction potential :
Variational formulation
Volume and surface potential formulation allows to study both effects separatelyVolume and surface potential formulation allows to study both effects separately
Avoids LBB-conditions and fulfills the contact patch test
Excellent agreement with analytical contact methods (JKR, Maugis-Dugdale)
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Excellent agreement with analytical contact methods (JKR, Maugis Dugdale)
Macromolecular Interaction Potentials Example
Half sphere is pushed towards a block:
Long-range attraction and short-range
repulsion modelled by a Lennard-Jones
potential :
R lti fResulting force :
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Finite Element Mortar Contact Formulation
3D finite element Mortar contact formulation
for finite deformationsfor finite deformations
No limitations for geometrical and material nonlinearities
Gap function :Gap function :
KKT conditions and frictionless sliding :
Lagrange multipliers (dual trace space) :Lagrange multipliers (dual trace space) :
Weak non-penetration condition :
Contact virtual work :Contact virtual work :
Dual shape functions for Lagrange Multipliers => static condensation
Solution algorithm based on a primal-dual active set strategy for
contact non-linearity, equivalent to a semi-smooth Newton methodA P M W G W A W ll A fi it d f ti t
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
A. Popp, M.W. Gee, W.A.Wall; A finite deformation mortarcontact formulation using a primal-dual active set strategy; IJNME; 2009
Contact and Interaction Example
Half sphere is pushed towards a block:
Long-range attraction is described by a Lennard-Jones potential
Macroscopic contact is performed instead of short-range repulsion
or excluded volume potentials
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Numerical Examples Contact Elastic Brick with Wall
Subwater contact of an elastic brick with a rigid wall :
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Numerical Examples Suspension of Microspheres
Suspension of spider silk nano/microspheres in shear flow including
macromolecular attraction and repulsion:
Stability of suspension necessary for the production of
drug delivery systems, coating of thin films
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Conclusions and Outlook
Current status :
XFEM-based fluid-structure interaction approach
for arbitrarily moving and deforming structures
no restrictions to structural formulation
highly accurate resolution of flow patterns around a sharp interface
Additive macromolecular interaction potential formulation
Subwater contact formulation
O i kOngoing work :
Integration of Brownian motion
Application to various biophysics problems and experimental validationApplication to various biophysics problems and experimental validation
(silk microsphere suspensions, blood cell in contracting vessel, microswimmers)
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Thank You Very Much For Your Attention !
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany
Parallelization for Distributed Memory
Parallelization approach :Fluid and structure mesh uniformly distributed
S f h f d d llSurface mesh of structure redundant on all processors
Parallel octtree-based search for the determination of the fluid domain,
i t ti f l t d t ti f l tinteraction surface elements and contacting surface elements
Towards a Mesoscopic Biophysical XFEM Fluid-Structure Interaction Method Ursula M. Mayer, W. A. Wall – Institute for Computational Mechanics, TU München, Germany