TY - JOUR
T1 - Vapor-liquid equilibria of silicon by the Gibbs ensemble simulation
AU - Honda, N.
AU - Nagasaka, Y.
PY - 1999/1/1
Y1 - 1999/1/1
N2 - Vapor-liquid equilibrium simulations of silicon were performed using the Stillinger-Weber potential with the Gibbs ensemble Monte Carlo method (GEMC). In the low temperature region, from about 3000 to 3500 K, our calculations show the stability of phases and good agreement with several experimental results. On the whole, there is little dependence on the size of the system except near the estimated critical point of silicon: Tc = 7500 ± 500 K and ρc = 750 ± 100 kg·m-3 as determined by the law of rectilinear diameter. Above 3500 K, vapor-liquid coexistence properties which have not been obtained by experiment are derived.
AB - Vapor-liquid equilibrium simulations of silicon were performed using the Stillinger-Weber potential with the Gibbs ensemble Monte Carlo method (GEMC). In the low temperature region, from about 3000 to 3500 K, our calculations show the stability of phases and good agreement with several experimental results. On the whole, there is little dependence on the size of the system except near the estimated critical point of silicon: Tc = 7500 ± 500 K and ρc = 750 ± 100 kg·m-3 as determined by the law of rectilinear diameter. Above 3500 K, vapor-liquid coexistence properties which have not been obtained by experiment are derived.
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U2 - 10.1023/A:1022679018176
DO - 10.1023/A:1022679018176
M3 - Conference article
AN - SCOPUS:0033131289
SN - 0195-928X
VL - 20
SP - 837
EP - 846
JO - International Journal of Thermophysics
JF - International Journal of Thermophysics
IS - 3
T2 - Proceedings of the 1997 13th Symposium Thermophysical Properties in Honor of Ared Cezairliyan
Y2 - 22 June 1997 through 27 June 1997
ER -