Self-diffusion and 'order-order' kinetics in B2-ordering AB binary systems with a tendency for triple-defect formation: Monte Carlo simulation : Proceedings of International workshop DIFFUSION, STRESS, SEGREGATION + REACTIONS-2012, Cherkasy, Ukraine: Selected papers

SOWA, P ; KOZUBSKI, R ; et al.

In: Philosophical magazine (2003. Print), Jg. 93 (2013), Heft 16-18, S. 1987-1998

academicJournal - print, 21 ref

Self-diffusion of component atoms and 'order-order' relaxations in a B2-ordering binary system AB showing a tendency for triple-defect formation were consistently simulated by means of two Monte Carlo techniques. In view of a strict correlation between antisite-defect and vacancy concentrations the Kinetic Monte Carlo (KMC) simulations were implemented with a temperature-dependent vacancy concentration determined by means of Semi-Grand Canonical Monte Carlo (SGCMC) simulations. The Ising model of the system was completed with local-configuration-dependent saddle-point energy parameters related to vacancy mediated atomic jumps. The simulations elucidated the atomistic origin of the experimentally observed low rate of 'order-order' relaxations in NiAl, as well as reproduced the experimental relation between the activation energies for 'order-order' kinetics and Ni self-diffusion in NiAl. Higher value of the deduced activation energy for atomic migration with respect to the effective energy barriers related to individual atomic jumps indicated their high correlation.

Titel:	Self-diffusion and 'order-order' kinetics in B2-ordering AB binary systems with a tendency for triple-defect formation: Monte Carlo simulation : Proceedings of International workshop DIFFUSION, STRESS, SEGREGATION + REACTIONS-2012, Cherkasy, Ukraine: Selected papers
Autor/in / Beteiligte Person:	SOWA, P ; KOZUBSKI, R ; BIBORSKI, A ; LEVCHENKO, E. V ; EVTEEV, A. V ; BELOVA, I. V ; MURCH, G. E ; PIERRON-BOHNES, V
Link:	View record from PASCAL Archive
Zeitschrift:	Philosophical magazine (2003. Print), Jg. 93 (2013), Heft 16-18, S. 1987-1998
Veröffentlichung:	Abingdon: Taylor & Francis, 2013
Medientyp:	academicJournal
Umfang:	print, 21 ref
ISSN:	1478-6435 (print)
Schlagwort:	Crystallography Cristallographie cristallogenèse Condensed state physics Physique de l'état condensé Sciences exactes et technologie Exact sciences and technology Physique Physics Etat condense: structure, proprietes mecaniques et thermiques Condensed matter: structure, mechanical and thermal properties Equations d'état, équilibres de phases et transformations de phases Equations of state, phase equilibria, and phase transitions Etudes générales des transformations de phases General studies of phase transitions Ordre-désordre et mécanique statistique de systèmes modèles Order-disorder and statistical mechanics of model systems Propriétés de transport (non électroniques) Transport properties of condensed matter (nonelectronic) Diffusion dans les solides Diffusion in solids Autodiffusion dans les métaux, semimétaux et alliages Self-diffusion in metals, semimetals, and alloys Aluminium alliage Aluminium alloys Autodiffusion Self-diffusion Barrière énergie Energy barrier Barrera energía Cinétique Kinetics Densité défaut Defect density Densidad defecto Densité lacune Vacancy density Densidad vacuidad Diffusion(transport) Diffusion Défaut antisite Antisite defects Dépendance température Temperature dependence Effet concentration Quantity ratio Effet température Temperature effects Energie activation Activation energy Ensemble grand canonique Grand canonical ensemble Conjunto gran canónico Formation défaut Defect formation Formación defecto Lacune Vacancies Modèle Ising Ising model Méthode Monte Carlo Monte Carlo methods Nickel alliage Nickel alloys Point col Saddle point Punto silla Relation ordre Ordering Relación orden Relaxation structurale Structure relaxation Relajación estructural Simulation numérique Digital simulation Système binaire Binary systems Transformation ordre désordre Order-disorder transformations 6460C 6630F Time: 6630
Sonstiges:	Nachgewiesen in: PASCAL Archive Sprachen: English Original Material: INIST-CNRS Document Type: Article File Description: text Language: English Author Affiliations: M.Smoluchowski Institute of Physics, Jagiellonian University in Krakow, Poland ; Centre for Mass and Thermal Transport in Engineering Materials, School of Engineering, The University of Newcastle, Callaghan, Australia ; Institul de Physique et Chimie des Matériaux de Strasbourg, CNRS-Universite de Strasbourg, France Rights: Copyright 2014 INIST-CNRS ; CC BY 4.0 ; Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS Notes: Physics of condensed state: structure, mechanical and thermal properties

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