Schweika W. Disordered Alloys: Diffuse Scattering and Monte Carlo Simulations

Springer, Berlin, 1998, 123 p. — ISBN: 3540634452, 3662147637.This monograph reviews the subject of structural disorder in alloys and describes how structural information can be exploited to build sound theoretical descriptions in terms of modified Ising models. Scattering with thermal neutrons and x-rays prove to be complementary approaches to measure the weak diffuse scattering which provides detailed information about the disorder. The authors show how Monte Carlo methods are applied to determine the most realistic effective interactions among the alloying atoms. These results can be used as a benchmark for modern electronic structure calculations. Of more general interest, the limitations of scattering experiments in a determination of an interaction model, and thus also of the structure itself are discussed. Finally, simulations exhibit not only near-surface disordering due to frustration effects but also new possible surface - induced ordering phenomena. Accurate Monte Carlo simulations are used to test existing theories of wetting.Introduction

Diffuse Scattering of AlloysDisordered Solid Alloys
Short-Range Order
Lattice Displacements
Data Analysis
Experimental ConsiderationsMonte Carlo Simulations of Alloys
Ising Models
Metropolis Monte Carlo Method
Reverse Monte Carlo Method
Inverse Monte Carlo Method
Comments on the Uniqueness of the Models and MethodsApplications
Clustering Alloys
Solubility of Co in Cu
Decomposition in the Cu-Ni Alloy System
Ordering Alloys
Chemical Order in Ferromagnetic Fe-Al Alloys
Short-Range Order and Interactions in the Ni-Cr System
The Temperature Dependence of Short-Range Order in Cu-Zn
Interstitial Alloys
The Defect Structure of Ferrous Oxide Fe(1-x)O
Short-Range Order and Interactions in the Metal Hydride VDx
Surface-Induced Ordering and Disordering
Surface-Induced Disorder
Surface-Induced Order due to Reduced Frustrations
Surface-Induced Order due to Effective Surface FieldsSummary and Conclusions