We have studied the limits of stability in the first order liquid-solid phase transition in a Lennard-Jones system by means of the short-time relaxation method and using the bond-orientational order parameter Q6. These limits are compared with the melting line. We have paid special attention to the supercooled liquid, comparing our results with the point where the free energy cost of forming a nucleating droplet goes to zero. We also indirectly estimate the dimension associated to the critical nucleus at the spinodal, expected to be fractal according to mean field theories of nucleation.Fil: Loscar, Ernesto Selim. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Físic...
The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model l...
In two-dimensional Lennard-Jones (LJ) systems, a small interval of melting-mode switching occurs bel...
3siThe structural and thermodynamic behavior of a deeply supercooled Lennard-Jones liquid, and its r...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
In the work presented in this dissertation, extensive molecular dynamics (MD) simulations have been ...
We report a computer-simulation study of the rate of homogeneous crystal nucleation and the structur...
Kinetic rate factors of crystallization have a direct effect on formation and growth of an ordered s...
The p-relaxation dynamics in a simple monatomic Lennard-Jones system is re-visited for both quenchin...
Nonequilibrium molecular dynamics simulations have been carried out on the growth and melting of the...
International audienceThe structural and thermodynamic behavior of a deeply supercooled Lennard-Jone...
Nonequilibrium molecular dynamics simulations have been carried out on the growth and melting of the...
The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model l...
In two-dimensional Lennard-Jones (LJ) systems, a small interval of melting-mode switching occurs bel...
3siThe structural and thermodynamic behavior of a deeply supercooled Lennard-Jones liquid, and its r...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
Using molecular dynamics, we investigate the crystal nucleation in a Lennard-Jones fluid as a functi...
In the work presented in this dissertation, extensive molecular dynamics (MD) simulations have been ...
We report a computer-simulation study of the rate of homogeneous crystal nucleation and the structur...
Kinetic rate factors of crystallization have a direct effect on formation and growth of an ordered s...
The p-relaxation dynamics in a simple monatomic Lennard-Jones system is re-visited for both quenchin...
Nonequilibrium molecular dynamics simulations have been carried out on the growth and melting of the...
International audienceThe structural and thermodynamic behavior of a deeply supercooled Lennard-Jone...
Nonequilibrium molecular dynamics simulations have been carried out on the growth and melting of the...
The evolution of the short range order (SRO) as a function of temperature in a Lennard-Jones model l...
In two-dimensional Lennard-Jones (LJ) systems, a small interval of melting-mode switching occurs bel...
3siThe structural and thermodynamic behavior of a deeply supercooled Lennard-Jones liquid, and its r...