TY - JOUR
T1 - Multibaric-multithermal ensemble study of liquid-solid phase transition in Lennard-Jones particles
AU - Kaneko, Toshihiro
AU - Mitsutake, Ayori
AU - Yasuoka, Kenji
PY - 2012/9
Y1 - 2012/9
N2 - Molecular dynamics simulations in a multibaric-multithermal ensemble have been carried out for Lennard-Jones systems of 108 and 256 particles. Using reweighting techniques, the temperature dependence of the isobaric heat capacity is calculated, and a liquid-solid coexistence curve on the pressure-temperature plane is also determined from heat capacity peaks. The curve is in good agreement with those obtained by other methods in previous reports.
AB - Molecular dynamics simulations in a multibaric-multithermal ensemble have been carried out for Lennard-Jones systems of 108 and 256 particles. Using reweighting techniques, the temperature dependence of the isobaric heat capacity is calculated, and a liquid-solid coexistence curve on the pressure-temperature plane is also determined from heat capacity peaks. The curve is in good agreement with those obtained by other methods in previous reports.
KW - Lennard-Jones particles
KW - Liquid-solid phase transition
KW - Multibaric-multithermal ensemble
KW - Phase diagram
UR - http://www.scopus.com/inward/record.url?scp=84866392210&partnerID=8YFLogxK
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U2 - 10.1143/JPSJS.81SA.SA014
DO - 10.1143/JPSJS.81SA.SA014
M3 - Article
AN - SCOPUS:84866392210
SN - 0031-9015
VL - 81
JO - Journal of the Physical Society of Japan
JF - Journal of the Physical Society of Japan
IS - SUPPL. A
M1 - SA014
ER -