Determination of the activation energy by stochastic analyses of molecular dynamics simulations of dislocation processes - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Philosophical Magazine Année : 2011

Determination of the activation energy by stochastic analyses of molecular dynamics simulations of dislocation processes

Résumé

In this paper, we investigate the probability and the probability density of thermal activation of stress-driven dislocation processes, simulated by Molecular Dynamics (MD). Stochastic analyses of the survival probability are found to lead to simple relations between the loading history and the distribution of the interaction time and strength. It is shown that the determination of the activation energy associated to a thermally activated event can be achieved by a reduction of the stochastic process to a process obeying the Poisson's distribution, preserving the activation probability at the survival time. The method is applied to the kink-pair mechanism on screw dislocations in iron. Predictions are compared with experimental results and with other methods reported in the literature, which allows to underline the difference in the approximations and in the assumptions considered in these models.

Mots clés

Fichier principal
Vignette du fichier
PEER_stage2_10.1080%2F14786435.2011.596494.pdf (816.53 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00717921 , version 1 (14-07-2012)

Identifiants

Citer

Ghiath Monnet. Determination of the activation energy by stochastic analyses of molecular dynamics simulations of dislocation processes. Philosophical Magazine, 2011, pp.1. ⟨10.1080/14786435.2011.596494⟩. ⟨hal-00717921⟩

Collections

PEER EDF
39 Consultations
124 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More