Complex Phase Behavior of Systems with Negative Curvature Potentials

Yu.D. Fomin; N.V. Gribova; V.N. Ryzhov

doi:10.4028/www.scientific.net/DDF.277.155

Paper Titles

Simulation of Pressure Effects on Self-Diffusion in BCC Metals
p.125

The Effect of Point Defects Interaction on Hydrogen Atom Diffusion in FCC- and BCC-Metals
p.133

Numerical Simulation of Precipitates Evolution in Iron-Based Alloys
p.141

The Analysis of the Selective Oxidation of Multicomponent Alloy
p.149

Complex Phase Behavior of Systems with Negative Curvature Potentials
p.155

3D Monte Carlo Simulation of Phase Separation Kinetics in a Binary Metallic Alloy with Vacancy Mediated Diffusion: Effect of Initial Supersaturation
p.161

Size-Induced Freezing Effect in Monte-Carlo Simulations of Phase Separation Kinetics in Nanoparticles
p.167

Diffusion during Powder Metallurgy Synthesis of Titanium Alloys
p.177

Composition Fluctuations in the Ostwald Ripening
p.187

HomeDefect and Diffusion ForumDefect and Diffusion Forum Vol. 277Complex Phase Behavior of Systems with Negative...

Complex Phase Behavior of Systems with Negative Curvature Potentials

Abstract:

The comprehensive computer simulation study of the phase diagram of the repulsive step potential system in three dimensions is represented. We show that the system with a simple purely repulsive isotropic potential demonstrates a number of unusual features. The maxima and minima on the melting curve are found for some regions of potential parameters. It is shown that the phase diagram in ρ-T plane includes two isostructural crystalline parts separated by the disordered phase which is amorphous at low enough temperatures. Phase diagram in the (P-T) plane shows that the transition to the amorphous state occurs approximately along the extrapolated spinodals. Structural FCC-BCC phase transition is found at high densities.