We report the melting temperature of free-standing silicene by carrying out molecular dynamics (MD) simulation experiments using optimized Stillinger-Weber (SW) potential by Zhang et al (2014 Phys. Rev. B 89 054310). The melting scenario of a free-standing silicene is well captured visually in our MD simulations. The data are systematically analyzed using a few qualitatively different indicators, including caloric curve, radial distribution function and a numerical indicator known as global similarity index. The optimized SW potential consistently yields a melting temperature of 1500 K for the simulated free-standing, infinite silicen
In the present work, we use molecular dynamics (MD) simulations to investigate melting of the crysta...
This project calculates the melting temperature as a function of pressure for a system defined by th...
The mole fraction distributions of CaO and SiO2 under a temperature gradient in a CaSiO3 melt were c...
International audienceAtomic structure, thermodynamic and mechanical behaviours of the penta-silicen...
A molecular dynamics simulation of sublimation of silicene and silicon films of different thikness i...
Extensive Monte Carlo simulations are carried out to study thermal stability of an infinite standalo...
Structural properties of silicene nanoribbons have been investigated by performing classical molecul...
Silica is one of the most abundant minerals on Earth and is widely used in many fields. Investigatin...
Molecular dynamic simulations offer promise as an essential tool, complementary to experiments, for ...
A Morse-stretch potential charge equilibrium force field for silica system has been employed to simu...
The structure and dynamics of glass forming fluids are accessible in atomistic detail through molecu...
We review how molecular dynamics computer simulations are providing a compre-hensive picture of the ...
Molecular dynamics (MD) simulations were carried out to investigate the melting transition of iron w...
This study investigates the diffusion of hydrogen molecule physisorbed on the surface of silicene na...
The software development for the molecular-dynamic modelling of liquid and the execution of new calc...
In the present work, we use molecular dynamics (MD) simulations to investigate melting of the crysta...
This project calculates the melting temperature as a function of pressure for a system defined by th...
The mole fraction distributions of CaO and SiO2 under a temperature gradient in a CaSiO3 melt were c...
International audienceAtomic structure, thermodynamic and mechanical behaviours of the penta-silicen...
A molecular dynamics simulation of sublimation of silicene and silicon films of different thikness i...
Extensive Monte Carlo simulations are carried out to study thermal stability of an infinite standalo...
Structural properties of silicene nanoribbons have been investigated by performing classical molecul...
Silica is one of the most abundant minerals on Earth and is widely used in many fields. Investigatin...
Molecular dynamic simulations offer promise as an essential tool, complementary to experiments, for ...
A Morse-stretch potential charge equilibrium force field for silica system has been employed to simu...
The structure and dynamics of glass forming fluids are accessible in atomistic detail through molecu...
We review how molecular dynamics computer simulations are providing a compre-hensive picture of the ...
Molecular dynamics (MD) simulations were carried out to investigate the melting transition of iron w...
This study investigates the diffusion of hydrogen molecule physisorbed on the surface of silicene na...
The software development for the molecular-dynamic modelling of liquid and the execution of new calc...
In the present work, we use molecular dynamics (MD) simulations to investigate melting of the crysta...
This project calculates the melting temperature as a function of pressure for a system defined by th...
The mole fraction distributions of CaO and SiO2 under a temperature gradient in a CaSiO3 melt were c...