English Russian
Известия
Izvestiya of Altai State
University Journal
The News of Altai State University

 Архив журнала «Известия АлтГУ», начиная с 2017 г., размещен на новой версии сайта http://izvestiya.asu.ru
 Актуальная информация о журнале размещена на новой версии сайта http://izvestiya.asu.ru

Print ISSN 1561-9443
On-line ISSN 1561-9451
Issues list
Table of Contents
Mathematics and mechanics
Management, computer engineering and informatics
Physical science
About the Journal
Editorial board and Editorial advisory board
Regulations on reviewing research papers
Rules of the articles representation
Publication Ethics of the journal «Izvestiya of Altai State University»
 
1-1(81)2014
  MATHEMATICS AND MECHANICS

V. V. Ogorodnikov

Computer Modeling of Atomic Mechanisms of Refractory Carbides Deformation and Fracturing by Molecular Dynamics Method

In the paper, a model of interatomic interactions in refractory carbides of d-transition metals is developed. The model effectively utilizes a molecular dynamics method for virtual testing of strength of nanocrystals under different types of loading and in a wide range of temperatures. Parameters are obtained in a form of pair potentials, and, as an example, the linear stretching of titanium carbide nanocrystals up to destruction at 300, 1000, and 2000 K is calculated. Types of destruction and changes of interatomic interaction energies during destruction are presented. The proposed method seems to be prospective for studying of atomic mechanisms of nanomaterial deformation and fracturing.

DOI 10.14258/izvasu(2014)1.1-22

Key words: refractory carbides, deformation, fracture, modeling, molecular dynamics

Full text at PDF, 587Kb. Language: Russian.

 

Print Edition of "Izvestiya of Altai State University" © 1996-2017 Altai State University.
All rights reserved. Any of parts of a journal or edition as a whole cannot be reprinted without the written sanction of the authors or publisher. On purchase of a journal to address to ASU publishing house:
Altai State University. 656049, 66 Dimitrova street, Barnaul, Russia. Telephone + 7 (3852) 366351.