Effective Interactions Approach to Phase Stability in Alloys Under Irradiation

1998 ◽  
Vol 540 ◽  
Author(s):  
Raúl A. Enrique ◽  
Pascal Bellon
Keyword(s):  
Phase Diagram ◽  
Phase Stability ◽  
Kinetic Monte Carlo ◽  
Theoretical Frameworks ◽  
Effective Interactions ◽  
Dynamical Phase ◽  
Thermodynamic Potentials ◽  
Simple Kinetic Model ◽  
Kinetic Monte Carlo Simulations ◽  
Competing Dynamics

AbstractPhase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results from two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges. The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then com- pared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram.

Effective Interactions Approach to Phase Stability in Alloys Under Irradiation

1998 ◽  
Vol 538 ◽  
Author(s):  
Raúl A. Enrique ◽  
Pascal Bellon
Keyword(s):  
Phase Diagram ◽  
Phase Stability ◽  
Kinetic Monte Carlo ◽  
Theoretical Frameworks ◽  
Effective Interactions ◽  
Dynamical Phase ◽  
Thermodynamic Potentials ◽  
Simple Kinetic Model ◽  
Kinetic Monte Carlo Simulations ◽  
Competing Dynamics

AbstractPhase stability in alloys under irradiation is studied considering effective thermodynamic potentials. A simple kinetic model of a binary alloy with phase separation is investigated. Time evolution in the alloy results from two competing dynamics: thermal diffusion, and irradiation induced ballistic exchanges. The dynamical (steady state) phase diagram is evaluated exactly performing Kinetic Monte Carlo simulations. The solution is then compared to two theoretical frameworks: the effective quasi-interactions model as proposed by Vaks and Kamishenko, and the effective free energy model as proposed by Martin. New developments of these models are proposed to allow for quantitative comparisons. Both theoretical frameworks yield fairly good approximations to the dynamical phase diagram.

Atomistic and Continuum Simulations of the Homo-Epitaxial Growth of SiC

2009 ◽  
Vol 615-617 ◽  
pp. 73-76 ◽  
Author(s):  
Massimo Camarda ◽  
Antonino La Magna ◽  
Francesco La Via
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Growth Rate ◽  
Silicon Carbide ◽  
Monte Carlo ◽  
Kinetic Monte Carlo ◽  
Recent Experimental Data ◽  
Homoepitaxial Growth ◽  
Continuous Models ◽  
Kinetic Monte Carlo Simulations

Using joined super-lattice Kinetic Monte Carlo simulations, continuous modelling and recent experimental data on the homoepitaxial growth of 4H Silicon Carbide we study the transition between monocrystalline and polycrystalline growth in terms of misorientation cut, growth rate and temperature. We compare these optimally calibrated results both with previous continuous models and literature data. We demonstrate that this study was, indeed, necessary to correctly reformulate the phase diagram of the transition.

Electronic Structure and Phase Stability Properties of Ai-Li Alloys

1990 ◽  
Vol 186 ◽  
Author(s):  
Antonios Gonis ◽  
Patrice E.A. Turchi ◽  
Marcel Sluiter ◽  
Frank J. Pinski ◽  
Duane D. Johnson
Keyword(s):  
Phase Diagram ◽  
Electronic Structure ◽  
Perturbation Method ◽  
Multiple Scattering ◽  
Phase Stability ◽  
First Principles ◽  
Potential Approximation ◽  
Effective Interactions ◽  
Lattice Constants ◽  
Effective Cluster

AbstractRecently, the phase diagram of AI-Li alloys was calculated with the use of the Connolly-Williams method. In an effort to test the validity and to supplement the results of that study, equilibrium lattice constants and effective cluster interactions have been obtained using the generalized perturbation method within the first-principles multiple-scattering formalism of the Korringa-Kohn-Rostoker coherent-potential approximation. The implication of these effective interactions to the phase stability of these alloys is discussed.

Kinetic Monte Carlo Simulation of Impurity Effects on Nucleation and Growth of SiC Clusters on Si(100)

2013 ◽  
Vol 740-742 ◽  
pp. 393-396
Author(s):  
Maxim N. Lubov ◽  
Jörg Pezoldt ◽  
Yuri V. Trushin
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Cluster Size ◽  
Kinetic Monte Carlo ◽  
Nucleation And Growth ◽  
Nucleation Density ◽  
Nucleation Process ◽  
Impurity Effects ◽  
Kinetic Monte Carlo Simulations ◽  
The Mean

The influence of attractive and repulsive impurities on the nucleation process of the SiC clusters on Si(100) surface was investigated. Kinetic Monte Carlo simulations of the SiC clusters growth show that that increase of the impurity concentration (both attractive and repulsive) leads to decrease of the mean cluster size and rise of the nucleation density of the clusters.

Sign in / Sign up

Export Citation Format

Share Document