Nucleation of Water and Methanol Droplets on Cations and Anions: The Sign Preference (2001)
Oh, K.J., Gao, G.T., Zeng, Xiao Cheng
The barrier height to cation- and anion-induced nucleation to produce water and methanol droplets are calculated by means of an umbrella-sampling Monte Carlo method. The computer simulation...
Nonlinear effects of physisorption on static friction (2000)
Gao, G.T., Zeng, Xiao Cheng, Diestler, Dennis J.
The effects of a physisorbed film on the force of static friction in a model contact (monatomic adsorbate confined between plane-parallel walls) were investigated by Monte Carlo simulation. At fixed...
Gao, G.T., Zeng, Xiao Cheng, Tanaka, Hideki
We report computer simulation results of free energies of proton-disordered hexagonal ice and liquid water at atmospheric pressure with the 4-site transferable intermolecular potential model of...
Freezing transition of a strongly dipolar simple fluid (2000)
The freezing transition of a strongly dipolar Lennard-Jones fluid is investigated using Monte Carlo simulation. It is found that the system undergoes a ferroelectric liquid-to-solid transition when...
Molecular dynamics simulation of supersaturated vapor nucleation in slit pore (2000)
Yasuoka, K., Gao, G.T., Zeng, Xiao Cheng
Molecular dynamics simulations of nucleation of Lennard-Jones vapor confined in a slit pore have been performed. The walls of the slit pore are structureless walls; each wall interacts with vapor...
Gao, G.T., Oh, K.J., Zeng, Xiao Cheng
The effects of a uniform electric field on homogeneous vapor-liquid nucleation of the extended simple point charge (SPC/E) model water have been simulated. A grand canonical Monte Carlo simulation...
Oh, K.J., Gao, G.T., Zeng, Xiao Cheng
The rate of homogeneous vapor-liquid nucleation is controlled mainly by the Gibbs formation free energy of critical clusters. Within the framework of thei/υ cluster theory of Reiss and co-workers,...
Vapor-liquid coexistence of quasi-two-dimensional Stockmayer fluids (1997)
Gao, G.T., Zeng, Xiao Cheng, Wang, Wenchuan
A quasi-two-dimensional (2D) Stockmayer model is developed in which the center of mass of the molecule is confined on a plane while the dipole of the molecule can rotate freely in three dimensional...