Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (MMP)

B. Patzák (Corresponding author), V. Šmilauer, M. Apel, R. Altenfeld, L. Thielen, A. Lankhorst, Aila Sitomaniemi, Mikko Majanen, V. Mackenzie, H. Rooms, D. A. Roosen-Melsen

Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsScientific

Abstract

A reliable multiscale/multiphysics numerical modeling requires including all relevant physical phenomena along the process chain, typically involving multiple scales, and the combination of knowledge from multiple fields. A pragmatic approach lies in combining existing tools, to build a customized multiphysics simulation chain. In order to achieve such a modular approach, a multi-physics integration framework MuPIF has been designed [1, 2] which provides an underlying infrastructure enabling high-level data exchange and steering of individual applications. MuPIF is an object-oriented framework written in Python and built on abstract classes. The abstract classes define standardized abstract interfaces that allow to manipulate individual sub-models and high-level data components using the same generic interface. A top-level steering script orchestrates data exchange among tools and controls their runs. MuPIF supports a distributed simulation chain running on remote computers, taking advantage of secure communication, public/private key authentication, resource allocation, built on top of python remote object library Pyro4. This allows running MuPIF on various operating systems, arbitrary network setups while integrating in-house or commercial codes as independent entities. A two simulation scenarios are developed in the MMP project [3], simulating a CIGS thin film growth process for the fabrication of solar cells and phosphors as light conversion material. The first scenario combines a CFD model, providing non-stationary temperature field on a furnace glass wafer and microstructure evolution model calculating the CIGS formation in a Cu-In-Ga thin film during selenisation by solving local phase distribution and element concentrations on a particular RVE. The second scenario combines optical model calculating the light absorption distribution inside the phosphor layer, blue die and the side walls of the molding component, which are transferred into the thermal model, where the absorption distribution is treated as an effective heat source. The thermal model calculates the stationary temperature distribution inside the entire LED and the transient temperature distribution during cooling down. Details of both scenarios will be provided on model coupling, their steering, distributed setup, performance and model outputs. Finally, the current developments for achieving interoperability within a cluster and future challenges for the MuPIF platform will be presented and discussed. The authors would like to acknowledge the support of EU FP7 project Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (GA no: 604279).
Original languageEnglish
Title of host publicationMultiscale Simulation
Subtitle of host publicationFrom Materials through to Industrial Usage
Pages34
Publication statusPublished - 2016
EventMultiscale Simulation: from Materials through to Industrial Usage - Dublin, Ireland
Duration: 5 Sep 20167 Sep 2016

Conference

ConferenceMultiscale Simulation: from Materials through to Industrial Usage
CountryIreland
CityDublin
Period5/09/167/09/16

Fingerprint

Environmental technology
Temperature distribution
Electronic data interchange
Phosphors
Glass furnaces
Thin films
Film growth
Interoperability
Molding
Light absorption
Authentication
Resource allocation
Light emitting diodes
Solar cells
Computational fluid dynamics
Physics
Cooling
Fabrication
Microstructure

Cite this

Patzák, B., Šmilauer, V., Apel, M., Altenfeld, R., Thielen, L., Lankhorst, A., ... Roosen-Melsen, D. A. (2016). Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (MMP). In Multiscale Simulation: From Materials through to Industrial Usage (pp. 34)
Patzák, B. ; Šmilauer, V. ; Apel, M. ; Altenfeld, R. ; Thielen, L. ; Lankhorst, A. ; Sitomaniemi, Aila ; Majanen, Mikko ; Mackenzie, V. ; Rooms, H. ; Roosen-Melsen, D. A. / Multiscale Modelling Platform : Smart design of nano-enabled products in green technologies (MMP). Multiscale Simulation: From Materials through to Industrial Usage. 2016. pp. 34
@inbook{34d5649e986e45bca546b532e31ffb28,
title = "Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (MMP)",
abstract = "A reliable multiscale/multiphysics numerical modeling requires including all relevant physical phenomena along the process chain, typically involving multiple scales, and the combination of knowledge from multiple fields. A pragmatic approach lies in combining existing tools, to build a customized multiphysics simulation chain. In order to achieve such a modular approach, a multi-physics integration framework MuPIF has been designed [1, 2] which provides an underlying infrastructure enabling high-level data exchange and steering of individual applications. MuPIF is an object-oriented framework written in Python and built on abstract classes. The abstract classes define standardized abstract interfaces that allow to manipulate individual sub-models and high-level data components using the same generic interface. A top-level steering script orchestrates data exchange among tools and controls their runs. MuPIF supports a distributed simulation chain running on remote computers, taking advantage of secure communication, public/private key authentication, resource allocation, built on top of python remote object library Pyro4. This allows running MuPIF on various operating systems, arbitrary network setups while integrating in-house or commercial codes as independent entities. A two simulation scenarios are developed in the MMP project [3], simulating a CIGS thin film growth process for the fabrication of solar cells and phosphors as light conversion material. The first scenario combines a CFD model, providing non-stationary temperature field on a furnace glass wafer and microstructure evolution model calculating the CIGS formation in a Cu-In-Ga thin film during selenisation by solving local phase distribution and element concentrations on a particular RVE. The second scenario combines optical model calculating the light absorption distribution inside the phosphor layer, blue die and the side walls of the molding component, which are transferred into the thermal model, where the absorption distribution is treated as an effective heat source. The thermal model calculates the stationary temperature distribution inside the entire LED and the transient temperature distribution during cooling down. Details of both scenarios will be provided on model coupling, their steering, distributed setup, performance and model outputs. Finally, the current developments for achieving interoperability within a cluster and future challenges for the MuPIF platform will be presented and discussed. The authors would like to acknowledge the support of EU FP7 project Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (GA no: 604279).",
author = "B. Patz{\'a}k and V. Šmilauer and M. Apel and R. Altenfeld and L. Thielen and A. Lankhorst and Aila Sitomaniemi and Mikko Majanen and V. Mackenzie and H. Rooms and Roosen-Melsen, {D. A.}",
note = "Project code: 100858",
year = "2016",
language = "English",
pages = "34",
booktitle = "Multiscale Simulation",

}

Patzák, B, Šmilauer, V, Apel, M, Altenfeld, R, Thielen, L, Lankhorst, A, Sitomaniemi, A, Majanen, M, Mackenzie, V, Rooms, H & Roosen-Melsen, DA 2016, Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (MMP). in Multiscale Simulation: From Materials through to Industrial Usage. pp. 34, Multiscale Simulation: from Materials through to Industrial Usage, Dublin, Ireland, 5/09/16.

Multiscale Modelling Platform : Smart design of nano-enabled products in green technologies (MMP). / Patzák, B. (Corresponding author); Šmilauer, V.; Apel, M.; Altenfeld, R.; Thielen, L.; Lankhorst, A.; Sitomaniemi, Aila; Majanen, Mikko; Mackenzie, V.; Rooms, H.; Roosen-Melsen, D. A.

Multiscale Simulation: From Materials through to Industrial Usage. 2016. p. 34.

Research output: Chapter in Book/Report/Conference proceedingConference abstract in proceedingsScientific

TY - CHAP

T1 - Multiscale Modelling Platform

T2 - Smart design of nano-enabled products in green technologies (MMP)

AU - Patzák, B.

AU - Šmilauer, V.

AU - Apel, M.

AU - Altenfeld, R.

AU - Thielen, L.

AU - Lankhorst, A.

AU - Sitomaniemi, Aila

AU - Majanen, Mikko

AU - Mackenzie, V.

AU - Rooms, H.

AU - Roosen-Melsen, D. A.

N1 - Project code: 100858

PY - 2016

Y1 - 2016

N2 - A reliable multiscale/multiphysics numerical modeling requires including all relevant physical phenomena along the process chain, typically involving multiple scales, and the combination of knowledge from multiple fields. A pragmatic approach lies in combining existing tools, to build a customized multiphysics simulation chain. In order to achieve such a modular approach, a multi-physics integration framework MuPIF has been designed [1, 2] which provides an underlying infrastructure enabling high-level data exchange and steering of individual applications. MuPIF is an object-oriented framework written in Python and built on abstract classes. The abstract classes define standardized abstract interfaces that allow to manipulate individual sub-models and high-level data components using the same generic interface. A top-level steering script orchestrates data exchange among tools and controls their runs. MuPIF supports a distributed simulation chain running on remote computers, taking advantage of secure communication, public/private key authentication, resource allocation, built on top of python remote object library Pyro4. This allows running MuPIF on various operating systems, arbitrary network setups while integrating in-house or commercial codes as independent entities. A two simulation scenarios are developed in the MMP project [3], simulating a CIGS thin film growth process for the fabrication of solar cells and phosphors as light conversion material. The first scenario combines a CFD model, providing non-stationary temperature field on a furnace glass wafer and microstructure evolution model calculating the CIGS formation in a Cu-In-Ga thin film during selenisation by solving local phase distribution and element concentrations on a particular RVE. The second scenario combines optical model calculating the light absorption distribution inside the phosphor layer, blue die and the side walls of the molding component, which are transferred into the thermal model, where the absorption distribution is treated as an effective heat source. The thermal model calculates the stationary temperature distribution inside the entire LED and the transient temperature distribution during cooling down. Details of both scenarios will be provided on model coupling, their steering, distributed setup, performance and model outputs. Finally, the current developments for achieving interoperability within a cluster and future challenges for the MuPIF platform will be presented and discussed. The authors would like to acknowledge the support of EU FP7 project Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (GA no: 604279).

AB - A reliable multiscale/multiphysics numerical modeling requires including all relevant physical phenomena along the process chain, typically involving multiple scales, and the combination of knowledge from multiple fields. A pragmatic approach lies in combining existing tools, to build a customized multiphysics simulation chain. In order to achieve such a modular approach, a multi-physics integration framework MuPIF has been designed [1, 2] which provides an underlying infrastructure enabling high-level data exchange and steering of individual applications. MuPIF is an object-oriented framework written in Python and built on abstract classes. The abstract classes define standardized abstract interfaces that allow to manipulate individual sub-models and high-level data components using the same generic interface. A top-level steering script orchestrates data exchange among tools and controls their runs. MuPIF supports a distributed simulation chain running on remote computers, taking advantage of secure communication, public/private key authentication, resource allocation, built on top of python remote object library Pyro4. This allows running MuPIF on various operating systems, arbitrary network setups while integrating in-house or commercial codes as independent entities. A two simulation scenarios are developed in the MMP project [3], simulating a CIGS thin film growth process for the fabrication of solar cells and phosphors as light conversion material. The first scenario combines a CFD model, providing non-stationary temperature field on a furnace glass wafer and microstructure evolution model calculating the CIGS formation in a Cu-In-Ga thin film during selenisation by solving local phase distribution and element concentrations on a particular RVE. The second scenario combines optical model calculating the light absorption distribution inside the phosphor layer, blue die and the side walls of the molding component, which are transferred into the thermal model, where the absorption distribution is treated as an effective heat source. The thermal model calculates the stationary temperature distribution inside the entire LED and the transient temperature distribution during cooling down. Details of both scenarios will be provided on model coupling, their steering, distributed setup, performance and model outputs. Finally, the current developments for achieving interoperability within a cluster and future challenges for the MuPIF platform will be presented and discussed. The authors would like to acknowledge the support of EU FP7 project Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (GA no: 604279).

M3 - Conference abstract in proceedings

SP - 34

BT - Multiscale Simulation

ER -

Patzák B, Šmilauer V, Apel M, Altenfeld R, Thielen L, Lankhorst A et al. Multiscale Modelling Platform: Smart design of nano-enabled products in green technologies (MMP). In Multiscale Simulation: From Materials through to Industrial Usage. 2016. p. 34