ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Multi-scale modelling of materials: general introduction

Date: 15.01.2014
Time: 10:00 a.m.
Place: School of Engineering's Scientific Lectures, Shiraz, Iran

Mansour Kanani

Modelling materials-related processes is not simple, as the underlying phenomena span an enormous range of lengths and timescales. Multi-scale materials modeling combines existing and emerging methods from diverse scientific disciplines to bridge the wide range of time and length scales that are inherent in a number of essential phenomena and processes in materials science and engineering. The mult-iscale materials modelling framework is based on the fundamental laws of nature and links the electronic modelling hierarchy through the atomistic and mesoscale modelling regimes to macroscopic material behaviour. It is evident that such a framework may not be based on rigid, formal parameterizations alone but must emerge from a detailed understanding of the mechanistic behaviour of materials, a robust knowledge of materials properties and metallurgical trends, and must take into account the processing of materials as the basis of dynamical structure property relations. In this talk a general introduction on the multi-scale modelling approach and current status of this kind of methodology is considered. Some examples such as light element effect on interfaces, coherent to semi-coherent transition of precipitate interface, atomistically informed crystal plasticity model for trip steel and TiAl lamellar interface properties that used multi-scale modeling to capture mechanical properties are presented in the framework of scale-birding approach.

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