Open AccessMolecular dynamics simulation of strain effects on surface melting for metal Cu
Author(s) -
Hailong Wang,
Wang Xiu-xi,
Liang Haiyi
Publication year - 2005
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.54.4836
Subject(s) - premelting , melting point , materials science , molecular dynamics , surface energy , melting point depression , thermodynamics , metal , strain (injury) , embedded atom model , free surface , atom (system on chip) , crystallography , composite material , metallurgy , chemistry , computational chemistry , physics , medicine , computer science , embedded system
Molecular dynamics simulations of surface melting process at different strain values were performed for metal Cu(110). The variation of the structure and energy in the system and the movement of the interface position between solid and liquid during surface melting were observed. The interaction between atoms in the system adopts the embedded atom potential proposed by Mishin. Cu(110) surface pr emelts below thermal melting point and the thickness of quasi-liquid film grows with temperature increasing. Beyond the thermal melting point, the velocity of t he interface between solid and liquid is linearly proportional to temperature, t he melting point is extrapolated to be 1380K which accords with the experimental data of 1358K. Strain lowers the melting point and accelerates the premelting p rocess. The thickness of quasi-liquid grows with increasing strain at the same t emperature. The increase of solid free energy induced by strain is the main fact or that decreases surface thermal stability, the direction of strain relative to the surface stress also effects the premelting process.