Phase transitions in surface segregation ofPtcNi1−calloys from tight-binding Ising-model calculations

1990 ◽  
Vol 41 (7) ◽  
pp. 4422-4434 ◽  
Author(s):  
Bernard Legrand ◽  
Guy Tréglia ◽  
François Ducastelle
Keyword(s):  
Phase Transitions ◽  
Ising Model ◽  
Surface Segregation ◽  
Tight Binding ◽  
Model Calculations

Surface Segregation Maps Derived from Tight-Binding Ising Model

2011 ◽  
Vol 172-174 ◽  
pp. 1008-1015 ◽  
Author(s):  
Jean Marc Roussel ◽  
Guy Tréglia ◽  
Bernard Legrand
Keyword(s):  
Experimental Data ◽  
Electronic Structure ◽  
Ising Model ◽  
Surface Energy ◽  
Surface Segregation ◽  
Tight Binding ◽  
Electronic Structure Calculations ◽  
Matrix Elements ◽  
Metal Element ◽  
Structure Calculations

Surface segregation in transition metals can be analysed within a generalised Ising model,derived from Tight-Binding electronic structure calculations, which identifies three driving forces:the difference in surface energy and atomic volume between the two components and their tendencyto order or phase separate in the bulk. Using this ”three effects” rule, we present here general mapswhich predict the tendency of the solute metal element to segregate (or not) at the surface of a metalmatrix, for the 702 solute/matrix systems that can be formed with transition metal elements. Ourpredictions compare fairly well to the existing ab initio calculations and experimental data availableon these systems. The few exceptions, which mainly concern given matrix elements are discussed indetails.

Monte Carlo study of phase transitions in an Ising model superlattice

1991 ◽  
Vol 69 (8) ◽  
pp. 6158-6160 ◽  
Author(s):  
Jialin Li ◽  
D. P. Landau
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Ising Model ◽  
Monte Carlo Study
Sign in / Sign up

Export Citation Format

Share Document