@Article{JAMS-2-1,
author = {Luo, Fen and Xiang-Rong, Chen and Ling-Cang, Cai and Wu, Qiang},
title = {Thermoelastic Properties of Nickel from Molecular Dynamic Simulations},
journal = {Journal of Atomic and Molecular Sciences},
year = {2011},
volume = {2},
number = {1},
pages = {10--19},
abstract = {<p style="text-align: justify;">The structures and elastic constants of face-centered-cubic (fcc) structured nickel at high temperature have been calculated for the first time using molecular dynamics (MD) with the direct method and the quantum Sutton-Chen (Q-SC) potential. The obtained thermoelastic constants are in excellent agreement with the experiment data. Calculated results for the radial distribution function show that the short-range atomic order of low-$T$ is similar to the high-$T$ solid with the applied temperatures. The thermoelastic constants, the bulk and shear modulus as a function of the applied temperature are presented. An analysis for the calculated parameters has been made to reveal mechanical stability of nickel up to 1300 K.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.310810.200910a},
url = {https://global-sci.com/article/74395/thermoelastic-properties-of-nickel-from-molecular-dynamic-simulations}
}