Add to ORKGWe 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 water. A new reference system is used to calculate the free energy of the ice phase. The melting point of proton-disordered hexagonal ice at atmospheric pressure is found to be Tm=238 (±7) K. This result is consistent with a previous estimation, 230K\u3c TmK, from molecular dynamic simulation of the surface melting of the proton-disordered hexagonal ice [G.-J. Kroes, Surf. Sci. 275, 365 (1992)]
Among all of the freezing transitions, that of water into ice is probably the most relevant to biolo...
We investigate high-pressure ice phases using molecular dynamics simulations. Spontaneous nucleation...
The melting temperature (Tm) of ice Ih was determined from constant enthalpy and pressure (NPH) Born...
We report computer simulation results of free energies of proton-disordered hexagonal ice and liquid...
A method of free energy calculation is proposed, which enables to cover a wide range of pressure and...
A simple Ising-like model for the stacking thermodynamics of ice 1 is constructed for nuclei in supe...
Molecular Dynamics simulations have been used to follow the rate of growth and recession of the pris...
Crystallization of ice from deeply supercooled water and amorphous ices - a process of fundamental i...
An exhaustive study by molecular dynamics has been performed to analyze the factors that enhance the...
Water is the most important liquid on the earth, yet the physics behind many properties of water is ...
An NVT Metropolis Monte Carlo computer simulation is used to examine the P-T behavior of a constant-...
Water is one of the most abundant substances on Earth, and ice, i.e., solid water, has more than 18 ...
The purpose of this paper is twofold: (1) to compute the melting temperature (Tm) of ice Ih with bot...
The direct simulation of the solid–liquid water interface with the effective fragment potential (EFP...
Coarse-grained water models are ∼100 times more efficient than all-atom models, enabling simulations...
Among all of the freezing transitions, that of water into ice is probably the most relevant to biolo...
We investigate high-pressure ice phases using molecular dynamics simulations. Spontaneous nucleation...
The melting temperature (Tm) of ice Ih was determined from constant enthalpy and pressure (NPH) Born...
We report computer simulation results of free energies of proton-disordered hexagonal ice and liquid...
A method of free energy calculation is proposed, which enables to cover a wide range of pressure and...
A simple Ising-like model for the stacking thermodynamics of ice 1 is constructed for nuclei in supe...
Molecular Dynamics simulations have been used to follow the rate of growth and recession of the pris...
Crystallization of ice from deeply supercooled water and amorphous ices - a process of fundamental i...
An exhaustive study by molecular dynamics has been performed to analyze the factors that enhance the...
Water is the most important liquid on the earth, yet the physics behind many properties of water is ...
An NVT Metropolis Monte Carlo computer simulation is used to examine the P-T behavior of a constant-...
Water is one of the most abundant substances on Earth, and ice, i.e., solid water, has more than 18 ...
The purpose of this paper is twofold: (1) to compute the melting temperature (Tm) of ice Ih with bot...
The direct simulation of the solid–liquid water interface with the effective fragment potential (EFP...
Coarse-grained water models are ∼100 times more efficient than all-atom models, enabling simulations...
Among all of the freezing transitions, that of water into ice is probably the most relevant to biolo...
We investigate high-pressure ice phases using molecular dynamics simulations. Spontaneous nucleation...
The melting temperature (Tm) of ice Ih was determined from constant enthalpy and pressure (NPH) Born...