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Multi-Physics Integration Framework MuPIF – design, operation and optimization
of a photovoltaic cell
B. Patzák*, V. Šmilauer*, M. Appelª, R. Altenfeldª, L. Thielen†, A. Lankhorst†
*Czech Technical University in Prague, ªACCESS Materials&Processes, †CelSian Glass & Solar B.V.
www.mmp-project.eumech.fsv.cvut.cz/mupif
www.mmp-project.eu
MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Outline● Introducton to MuPIF platform
– History– Key features
● Case study: Selenization (CFD+thermodynamics)
– Macro-scale (furnace) models– RVE miscro-structure evolution
● Conclusions
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
MuPIF platform● Initially developed under the national project funded by Czech Grant
Agency (Project No. P105/10/1402.), 2012-2014.● Currently developed in FP7 project - Multiscale Modelling Platform:
Smart design of nano-enabled products in green technologies, 2014-2016, 8 partners from 5 different countries, 2 industrial end-users.
● Industrial application for photovoltaic devices and LEDs ● Selenization (CFD+thermodynamics)● Light conversion (opto+thermal)
www.mmp-project.eu
MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
MuPIF platform: Key features• Focus on combining existing tools to build a customized multi-physics and multi-scale simulation chains
• provides an underlying infrastructure enabling high-level data exchange and steering of individual applications.
• From discovery pf problem domain individual objects identified and grouped.
For each group, a base class introduced defining abstract interface (set of methods) • Interfaces allow to communicate with any object using generic interface, hiding the particular implementation details
• Interfaces allow for a plug-and-play architecture
Models
Data
Models
Properties
Models
Spatial Fields
Models
Discretizations
Time steps
Units
Microstructures
Courtesy: G. Schmitz
www.mmp-project.eu
MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Models (applications)
• Interfaces allow for a plug&play architecture
• Initial/boundary conditions as well as effective properties from lower scales imposed via set methods
• Internal state of the model updated via solveYourself, finishStep, etc. methods
• Effective properties for upper scales extracted using get methods
• Different ways how to implement interface – direct approach for apps with API or source code
– indirect approach (file exchange) for closed source apps
MuPIF Platform – API design pattern
time/process
scale
setboundaryconditions
provide effectivevalues
provideboundaryconditions
seteffectivevalues
Initialconds
output
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Data components
• Platform abstracts not only applications, but also high level data (Properties, Fields, Discretizations, Units, etc.)
• These entities represented by objects encapsulating raw data, metadata, and operations on the data
• Individual applications do not have to interpret raw data, they just use the interface
• Abstracts different data formats (hidden behind the interface)
• Redundancy avoided (operations on data are part of data itself)
• Advantage: the models receive (and provide) data in a self consistent package: raw data with operations on the data
MuPIF Platform – API design pattern
Model #1 Model #2
Model #3
Models/applications with generic API
High level data with API
Component-based simulation scenario
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
MuPIF platform: Key features
• Based on interacting, distributed objects
• Transparent, distributed object system fully integrated using so-called proxies; SSL based encryption for security
• Integrates with existing grid middleware (Condor) or provides own resource manager
• Support new business models, such as software as a service
Internet
App1 App2
App1
App2
App2 Proxy
Name server
Pyro
Local scenario
Distributed scenario
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
CIGS for solar cells: selenisation of a Cu-Ga-In precursor filmSEM picture of the CIGS microstructure (by Abengoa)furnace (~500°C) with Se containing
atmosphere
glas
Cu-In-Ga precursor filmMo film
Se gas
~ 10 cm
~ 2 µm
glas
crystalline CIGS (photoactive)Mo film
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Simulation model portfolio
multi-physics CFD code X-Stream (thermal fields & Se gas flow)
CALPHAD based thermodynamics (driving force & phase composition)
Phase–field software MICRESS (phase transformation &
microstructure)
T(x), [Se](x)
[Se](x), =f(CIGS)
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
www.mmp-project.eu
MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
t0 tend
texchange
CFD
RVE PF
T,
[Se]
Δ[S
e],
ε
T,
[Se]
Δ[S
e],
ε
CFD Simulation results
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Phase-field simulation results
T, [Se]
boundary conditions
for RVE
update everytexchange
[Se]
Se consumption
update everytexchange
Prototypic simulation of CIGS growth(no coupling to thermodynamics)
CIGS formation vs. time
Time [s]
CIG
S v
olu
me [
a.u
.]
RVE at location „mid“
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Functional for process optimisation (quality factor)
RVE1
RVE2
Quality factor map as a functional for process optimisationQF interpolation via Mupif
QF1
QF2
Quality factor defined as a product of individual QF (Cu/(Ga+In) ratio, rel. concentration of binary phases, thickness of MoSe layer, etc)
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MuPIF platform: design, operation and optimization of a photovoltaic cell 2nd ICMEg Workshop,Barcelona
Conclusions
• MuPIF enables to link different simulation models operating on different scales and distributed resources
• MuPIF provides services for data high level data exchange, interpolation / extrapolation, and I/O services
• The capabilities of MuPIF demonstrated on a simulation chain for CIGS thin film processing
• The developed simulation chain allows to asses the quality of the process (QF) and subsequent optimization of the process.