Face-centred cubic to body-centred cubic phase transformation under 100 tensile loading

HX Xie and JY Yu and T Yu and FX Yin, PHILOSOPHICAL MAGAZINE, 98, 1696-1707 (2018).

DOI: 10.1080/14786435.2018.1456687

Molecular dynamics simulation was used to verify a speculation of the existence of a certain face-centred cubic (FCC) to body-centred cubic (BCC) phase transformation pathway. Four FCC metals, Ni, Cu, Au and Ag, were stretched along the 1 0 0 direction at various strain rates and temperatures. Under high strain rate and low temperature, and beyond the elastic limit, the bifurcation of the FCC phase occurred with sudden contraction along one lateral direction and expansion along the other lateral direction. When the lattice constant along the expansion direction converged with that of the stretched direction, the FCC phase transformed into an unstressed BCC phase. By reducing the strain rate or increasing the temperature, dislocation or 'momentum-induced melting' mechanisms began to control the plastic deformation of the FCC metals, respectively.

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