Open AccessA molecular dynamics simulation of thermodynamic properties of undercooled liquid Ni2TiAl alloy
Author(s) -
Hong Yang,
Min Chen
Publication year - 2006
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.55.2418
Subject(s) - molecular dynamics , materials science , alloy , thermodynamics , enthalpy , specific heat , atom (system on chip) , physics , metallurgy , computational chemistry , chemistry , computer science , embedded system
Base on the embedded-atom methodthe enthalpy and the density of Ni2TiAl alloy are calculated by using molecular dynamics simulations.The temperature dependence of the specific heat of normal and undercooled liquid Ni2TiAl alloy is obtained.The results indicate that the specific heat and the density increase linearly with the decrease of temperatureand the Neumann-Kopp rule can be applied to estimate the specific heat of undercooled liquid Ni2TiAl alloy. Meanwhile, the size effect in the simulation domain is indicated to be negligible.