ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Mesoscale and atomistic modeling and simulation of grain growth on the nanoscale

Date: 26.09.2010
Time: 9:50
Place: Optimising Performance Through Integrated Modelling of Microstructure (OPTIMoM), Queens College Cambridge, UK

Reza Darvishi Kamachali
Jun Hua
Ingo Steinbach
Alexander Hartmaier


Multi-phase field (MPF) and molecular dynamics (MD) simulations have been applied to study the mechanisms of nanograin growth. At mesoscale level, prominent properties of nanostructured materials, e.g. the grain boundary excess volumes and vacancy diffusion, are considered in MPF. The atomistic aspects of boundary movement and vacancy generation during the growth have been investigated using MD simulations. Combining MPF and MD, transition from linear regime to normal grain growth and the activation energy of the growth process is investigated.

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