TY - GEN
T1 - Multicanonical molecular dynamics simulation study of the liquid-solid and solid-solid transitions in Lennard-Jonse clusters
AU - Kaneko, Toshihiro
AU - Yasuoka, Kenji
AU - Mitsutake, Ayori
AU - Zeng, Xiao Cheng
PY - 2011/12/1
Y1 - 2011/12/1
N2 - Multicanonical molecular dynamics simulations are applied, for the first time, to study the liquid-solid and solid-solid transitions in Lennard-Jones (LJ) clusters. The transition temperatures are estimated based on the peak position in the heat capacity versus temperature curve. For LJ 31, LJ 58 and LJ 98, our results on the solid-solid transition temperature are in good agreement with previous ones. For LJ 309, the predicted liquid- solid transition temperature is also in agreement with previous result.
AB - Multicanonical molecular dynamics simulations are applied, for the first time, to study the liquid-solid and solid-solid transitions in Lennard-Jones (LJ) clusters. The transition temperatures are estimated based on the peak position in the heat capacity versus temperature curve. For LJ 31, LJ 58 and LJ 98, our results on the solid-solid transition temperature are in good agreement with previous ones. For LJ 309, the predicted liquid- solid transition temperature is also in agreement with previous result.
UR - http://www.scopus.com/inward/record.url?scp=84860897126&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84860897126&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:84860897126
SN - 9780791838921
T3 - ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
BT - ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
T2 - ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
Y2 - 13 March 2011 through 17 March 2011
ER -