Subject Code: ML6L004 Name: Modeling and Simulation of Materials L-T-P: 3-1-0 Credit: 4
Pre-requisite(s): None
Basics of modeling and simulations, Empirical and phenomenological modeling, Population balance models, Kinetic models, Stochastic models, Matrix models, Discrete size discrete time models, Discrete size continuous time models, Continuous size continuous time models, Modeling of flotation networks and simulation of complex flotation circuits, Material balance over complex minerals flow sheets, Physical modeling, Mathematical modeling; Data modeling as a new type of modeling, Reverse Monte-Carlo Analysis (RMCA): Reconstruction of 3-D atomic ensemble from diffraction data, Discrete Element Modeling (DEM), Finite Element Method (FEM) and its application in materials science, Ab-initio simulations, Phase-field modelling.

Texts / Reference Books:
  1. K. Janssens, G. Frans, D. Rabbe, B. Nestler, E. Kozeschnik, M, Miodownik, Computational Materials Engineering- An Introduction to Microstructure Evolution.
  2. K. KesavaRao, Prabhu R. Nott, An Introduction to Granular Flow.
  3. Dominik Marx, JürgHutter, Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods.