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Multi-Scale, Multi-Physics, Non-Continuum Modeling


Problem Space:
Due to the scale of the components of NEPCM, the understanding of its thermophysical behavior is a challenging problem. This project aims to understand the underlying mechanisms of fluid flow, thermodynamics and energy transfer in systems that utilize NEPCM, performing multi-scale modeling and analysis. While continuum approaches are suitable for a macro-scale description, non-continuum methods are indispensable for gaining insight of the physical phenomena at lower scales (micro-, nano- and molecular scales). Three common non-continuum methods that can be considered for this purpose are: The Lattice Gas Automata (LGA), Lattice Boltzmann (LB) and Molecular Dynamics (MD). The goal of this research project to develop a multi-scale (micro-, nano-, and molecular scale) and multi-physics (fluid flow, thermodynamics and heat transfer) model for the prediction of thermophysical properties of NEPCM. We will employ LGA, LB and MD approaches, both independently from each other and as hybrid methods. Since these methods have been successfully employed for a variety of applications, we will use them to build a robust models that allow us to predict NEPCM's thermal conductivity, specific heat capacity, thermal diffusivity, specific latent heat and melting/solidification temperature. Other physical properties and phenomena like viscosity, particle distribution, temporal evolution of particle distribution, aggregation and sedimentation can be studied. The correlation of these properties and their dependency on external parameters (pressure, temperature, flow, etc.) and on each other will be part of this project. Eventually, we will couple these methods with continuum methods in order to have a multi-scale model.


Lattice Boltzmann Method Modeling

Abstract:


Stefan Problem (Melting and Solidification), melting-convection-solidification cycles.

Relevant Data:

Picture: solid-liquid interface in 1-d stefan problem simulation

Figure: self-explanatory, simulation using Lattice Boltzmann Method for Heat Conduction with Phase Change, as described in Jiaung, W.-S., Ho, J.-R., and Kuo, C.-P., 2001, ―Lattice Boltzmann Method for the Heat Conduction Problem with Phase Change

picture: solid-liquid interface in 3-d stefan problem

Figure: Solid-liquid interface at some time t in 3-d Stefan problem simulation of a semi-infinite 3-d solid domain melting from the origin (0,0,0).

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convection1convection2

Convection using Lattice Boltzmann Method
Base fluid: Dodecane / Nanoparticles: Silver
Heating from left wall in 100x200 LBM grid
(left) 0% nanoparticles / (right) 5% nanoparticles

Publications

    Lattice Gas Automata (Monte Carlo/Metropolis Algorithm) Modeling

    Abstract:


    Modeling of mass and heat diffusion.

    Relevant Data:

    Molecular Dynamics Modeling

    Abstract:


    Prediction of specific heat capacity and heat conductivity of NEPCM

    Relevant Data:

    Involved People

    Publications

      Mutiscale Modeling

      Abstract:


      a) Hybrid LBM-MD b) Multi-scale coupling

      Relevant Data:

      Involved People

      Publications

        The Effect of the Length of The N-alkane Molecules on the thermal transport within the molecules

        Abstract:




        Relevant Data:

        Publications

          Visualization

          Abstract:


          Techniques and tools for the visualization of models and simulations.

          Relevant Data:

          Image: animation of solid (black) melting to liquid (gray) in 2-d stefan problem

          Above: animation of solid (black) melting to liquid (gray) in 2-d stefan problem (bottom left corner set to constant temperature above solid temperature)

          Below: melting of semi-infinite solid (black) cube from corner

          (image) 3d phase change