Many-Body Ab Initio Potentials in Simulations of Grain Boundary Sliding and Decohesion in Metals
Source abstract
Abstract
A direct scheme for theoretical study of sliding and decohesion properties of the grain boundaries (GB) in metals is presented here. This approach combines ab initio calculations and Monte Carlo (MC) simulations with non-empirical many-body (MB) potentials. The authors studied the propagation of the elastic field in the vicinity of the GB and show how the sliding or decohesion shifts influence the penetration of the elastic field inside the grain.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Microstructure and mechanical properties · High-pressure geophysics and materials · High Temperature Alloys and Creep
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