This thesis leads to a new quantum mechanical method for investigating the localized electronic states near dislocations in metals. The formalism of multiple scattering theory forms the basis of this method. In addition, the computer simulation procedure for calculating the atomic configuration of dislocations is combined with classical linear elasicity theory and with teh self-consistent scattered wave model. ... Zie: Summary
Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential the...
Crystal dislocations govern the plastic mechanical properties of materials but also affect the elect...
An attempt to model the electronic structure of molecular crystals containing an edge dislocation at...
This article outlines a model for calculating the localized states of a edge dislocation in Mo. The...
This paper outlines a model for calculating the localized states of a <100> edge dislocation in α-Fe...
This paper outlines a model for calculating the localized states of a <100> edge dislocation i...
This paper outlines a model for calculating the localized states of a (100) edge dislocation in a-Fe...
We provide a comprehensive theoretical framework to study how crystal dislocations influence the fun...
Based on the elasticity theory and considering the lattice modification for dislocation core, the pr...
International audienceDislocation cores, the regions in the immediate vicinity of dislocation lines,...
Understanding the mechanical properties of technologically advanced materials from quantum mechanica...
Motion of dislocations was studied by means of molecular dynamics simulation. The embedded atom meth...
Solution strengthening is a well-known approach to tailoring the mechanical properties of structural...
L'ensemble des méthodes théoriques utilisées pour calculer les états électroniques associés aux disl...
In this paper we describe the recursion method applied to a parametrized tight-binding Hamiltonian f...
Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential the...
Crystal dislocations govern the plastic mechanical properties of materials but also affect the elect...
An attempt to model the electronic structure of molecular crystals containing an edge dislocation at...
This article outlines a model for calculating the localized states of a edge dislocation in Mo. The...
This paper outlines a model for calculating the localized states of a <100> edge dislocation in α-Fe...
This paper outlines a model for calculating the localized states of a <100> edge dislocation i...
This paper outlines a model for calculating the localized states of a (100) edge dislocation in a-Fe...
We provide a comprehensive theoretical framework to study how crystal dislocations influence the fun...
Based on the elasticity theory and considering the lattice modification for dislocation core, the pr...
International audienceDislocation cores, the regions in the immediate vicinity of dislocation lines,...
Understanding the mechanical properties of technologically advanced materials from quantum mechanica...
Motion of dislocations was studied by means of molecular dynamics simulation. The embedded atom meth...
Solution strengthening is a well-known approach to tailoring the mechanical properties of structural...
L'ensemble des méthodes théoriques utilisées pour calculer les états électroniques associés aux disl...
In this paper we describe the recursion method applied to a parametrized tight-binding Hamiltonian f...
Using multi-ion interatomic potentials derived from first-principles generalized pseudopotential the...
Crystal dislocations govern the plastic mechanical properties of materials but also affect the elect...
An attempt to model the electronic structure of molecular crystals containing an edge dislocation at...