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cond-mat.mtrl-sci2023
Temperature and Pressure-Induced Atomic Structure Evolution During Solidification of Zr50Nb50 Metallic Melt via Molecular Dynamics Simulation
Frew Gashaw Asefa, Yi Ma, Qin Wu +2
In this report, the evolution of the local atomic structure of the Zr50Nb50 melt was investigated by applying temperature (2600 to 300 K) and pressure (0 to 50 Gpa) using classical…
cond-mat.mtrl-sci2015★ 70 cited
Effect of carbon vacancies on structural and mechanical properties of stable zirconium carbides: A first principles study
Congwei Xie, Artem R. Oganov, Duan Li +4
By using evolutionary algorithm USPEX, we have predicted a number of stable zirconium carbides. In addition to the well-known rocksalt-type stoichiometric ZrC (Fm-3m), present pred…