ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Atomistic simulations of lattice defects in tungsten

M. Mrovec, C. Elsässer, P. Gumbsch.

International Journal of Refractory Metals & Hard Materials, 28, 698-702, (2010)

The mechanical behavior of materials is ultimately determined by events occurring at the atomic scale The onset of plastic yield corresponds to triggering of dislocation motion Subsequent hardening is mainly controlled by interaction of gliding dislocations with other lattice defects such as forest dislocations, grain boundaries, interfaces and surfaces. Finally, material failure is influenced by processes at the tip of a crack propagating in a crystal lattice In this work we review atomistic simulations of lattice defects in tungsten We show that these studies are able to provide not only a detailed understanding of defect properties but also reveal how the fundamental processes at the atomic scale are linked to macroscopic material behavior.

DOI: 10.1016/j.ijrmhm.2010.05.007
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