Progress towards the objectives

WP1 Multiscale modelling platform development

  1. To design a generic Application Interface allowing abstract data exchange and steering of individual applications.
    • Achieved: The MuPIF design of API, data exchange and application steering are briefly summarized in Webinar 1, user guide within MuPIF platform and confidential deliverable D1.1. Two simple demonstrations are provided, demonstrating MuPIF on thermo-mechanical and multiscale thermal problems.
  2. To develop an integration platform allowing to combine individual simulation tools into a complex, multi-physics simulation.
    • Achieved: Simple python simulation tools have been included in MuPIF examples (simple averaging of properties across RVE, thermo-mechanics).
    • Achieved: WP2 and WP3 successfully combined several applications in a simulation chain, described in MS3 (TRL 4) and demonstrated live during the 3rd MMP Webinar.
    • Since 01/2016, there have been 79 commits to the Soorceforge repository. New home page of MuPIF platform has been setup allowing further development, dissemination and exploitation after the end of MMP project.
    • Achieved: MuPIF alpha release available (TRL5)
  3. To develop and implement case study specific application interfaces, data representations, mapping and homogenization algorithms.
    • Achieved: Webinar 1 shows basic specific APIs and abstract classes for spatial data representation. Several MuPIF examples demonstrate unit conversion, mesh representation and interpolation.
    • Sandbox scenarios demonstrated live during the 3rd MMP Webinar.
    • Implemented case study specific high-order approximations, hdf5 and vtk binary export facilities.
    • Achieved: The existing GUI prototype is being further developed with the aim to extend it from Condor job editor to the more general tool allowing to graphically define the simulation workflow scripts.

WP2 Case study: Phosphor converted lighting systems

The target of WP2 is to develop an opto-thermal multiscale modelling scheme to solve to design optimization problem using phosphors as light conversion material and computing the system level light output, taking heat dissipation into account. This results in the following objectives:

  1. Achieved: The development of a simulation chain for assessment of phosphor light conversion systems.
  2. Achieved: Set-up the various sub-models involved in the integrated simulation scheme:
    • Thermo-optical modelling of a unit phosphor particle addressing the light conversion and the Stokes shift of discrete particle interaction events: Procedures have been developed to extract the required phosphor parameters from calibration measurements and implement them in a self-written ray-tracer.
    • Light scattering model within a complex phosphor matrix composite: The Mie scattering is implemented in the ray-tracer.
    • Heat dissipation model within the phosphor matrix composite: The ray-tracer delivers the Stokes losses as consequence of the simulated absorption processes.
  3. Achieved: Ray-tracing modelling on device level: The developed simulation chain is used to describe a reference LED package and the results of measurements and simulations are compared and published (EuroSimE conference).
  4. Achieved Validation of the integrated model on device level and validation of sub-models at the appropriate length-scales. The full simulation chain including the composite model to calculate the thermal conductivity of the phosphor layer has been implemented.
  5. Achieved: Continuum thermal analysis at device level: The mid-power LED devices have been characterized with thermal measurements and the results are compared with simulations on device level. The results have been presented at the LED Professional Symposium 2015 and the EuroSimE 2016.
  6. Achieved:Develop an application interface for each sub-model to enable platform integration.
  7. Achieved: Integral and automated platform runs of the multi-scale, multi-physics simulation chain to enable LED-system optimization with respect to the phosphor light conversion system.

WP3 Case study: CIGS process optimization

Work package 3 aims to develop, integrate and utilise an application example for the Mupif platform arising from thin film photovoltaics. The capabilities of the Mupif platform will be used to perform multiscale simulations of the selenization process for CIGS thin film production at the process/component scale and at the scale of the material microstructure. An empirical relation will be developed to correlate CIGS microstructure with PV properties in order to provide a target functional for process optimisation. In particular, the following topics will be addressed in this WP:

  1. Modelling the CIGS selenization process at the scale of the component.
    • Achieved: CFD based thermal process models for different types of selenisation furnaces (tube furnace, rapid thermal processing, …). The following video shows Macroscopic CFD simulation by X-Stream of the selenization process in the semi-industrial scale oven at TNO. Dimensionless selenium flow velocities (left) and temperatures (right) in a plane immediately above the deposition surface on the glass substrate.wp3-animation.avi
    • Ongoing: Model refinement towards an industrial type selenisation furnace.
  2. Modelling selenization at the scale of the CIGS microstructure.
    • Achieved: Development of a CALPHAD based thermodynamic database for the Cu-In-Ga-Se-Mo alloy system. The following figure illustrates pseudo binary section In2Se3–Cu2Se: experimental data versus thermodynamic calculation and computed isothermal cut through the Cu-In-Ga phase diagram.
    • Ongoing: validation of thermodynamic predictions.
    • Achieved: First phase-field based microstructure simulation models for the CIGS formation. The following figure shows simulated sequence of CIGS growth based on a non-coupled phase-field model.
    • Ongoing: refinement of the microstructure simulation towards semi-quantitative approximations and/or a full coupling to thermodynamic database.
  3. To develop solutions for scale bridging, data integration and microstructure – property relations.
    • Achieved: Development of a quality factor for the microstructure – property relation [J. Emmelkamp, D. Roosen-Melsen, M. Theelen, Introducing the Quality Factor as a fast and simple link between PV properties and the crystal CIGS structure, PVSEC2016, Munich].
    • Achieved: homogenisation scheme for data interpolation, mapping RVE based microstructure information to the macroscopic process scale.
    • Ongoing: Deriving and calibrating model parameters for the quality factor from experimental data.
  4. Integrated simulations of the model chain on the Mupif platform.
    • Achieved: Local and distributed simulations orchestrated by the Mupif platform demonstrating the interplay of all necessary components based on a simplified simulation scenario.
    • Ongoing: Integration of refined and more complex individual simulation models towards a quantitative simulation of the selenization process.
progress.txt · Last modified: 2016/12/09 13:28 by patzak