publication . Article . 2014

Molecular dynamics simulations of the melting curve of NiAl alloy under pressure

Wen-Jin Zhang; Yu-feng Peng; Zhong-Li Liu;
Open Access English
  • Published: 01 May 2014 Journal: AIP Advances, volume 4, issue 5, pages 57,110-57,110 (issn: 2158-3226, Copyright policy)
  • Publisher: AIP Publishing LLC
The melting curve of B2-NiAl alloy under pressure has been investigated using molecular dynamics technique and the embedded atom method (EAM) potential. The melting temperatures were determined with two approaches, the one-phase and the two-phase methods. The first one simulates a homogeneous melting, while the second one involves a heterogeneous melting of materials. Both approaches reduce the superheating effectively and their results are close to each other at the applied pressures. By fitting the well-known Simon equation to our melting data, we yielded the melting curves for NiAl: 1783(1 + P/9.801)0.298 (one-phase approach), 1850(1 + P/12.806)0.357 (two-pha...
Persistent Identifiers
free text keywords: General Physics and Astronomy, lcsh:Physics, lcsh:QC1-999, Nickel, chemistry.chemical_element, chemistry, Melting point, Alloy, engineering.material, engineering, Equation of state, Superheating, Embedded atom model, Melting curve analysis, Materials science, Metallurgy, Nial, computer.programming_language, computer, Thermodynamics
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