CaltechAUTHORS
  A Caltech Library Service

Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials

Wang, Guofeng and Strachan, Alejandro and Çağin, Tahir and Goddard, William A., III (2003) Role of core polarization curvature of screw dislocations in determining the Peierls stress in bcc Ta: A criterion for designing high-performance materials. Physical Review B, 67 (14). Art. No. 140101(R). ISSN 0163-1829. http://resolver.caltech.edu/CaltechAUTHORS:WANprb03

[img]
Preview
PDF
See Usage Policy.

102Kb
[img] Plain Text (README)
See Usage Policy.

937b
[img]
Preview
Postscript (Supplement)
See Usage Policy.

171Kb
[img]
Preview
Postscript (Supplement for referee)
See Usage Policy.

114Kb

Use this Persistent URL to link to this item: http://resolver.caltech.edu/CaltechAUTHORS:WANprb03

Abstract

We use a family of embedded atom model potentials all based on accurate quantum-mechanical calculations to study the relation between Peierls stress and core properties of the 1/2a‹111› screw dislocation in bcc tantalum (Ta). We find that the Peierls stress (σP) is a function of the core-polarization curvature (II) near the equilibrium core configuration. Our results suggest that the computationally available quantity II is a useful criterion for designing high-performance materials.


Item Type:Article
Additional Information:©2003 The American Physical Society. Received: 21 January 2003; published: 28 April 2003. We thank Peter A. Schultz of Sandia National Lab for his help with the QM calculations. This research was supported by Caltech Project No. DoE-ASC-ASAP.
Subject Keywords:tantalum; screw dislocations; internal stresses; quantum theory; dislocation structure
Record Number:CaltechAUTHORS:WANprb03
Persistent URL:http://resolver.caltech.edu/CaltechAUTHORS:WANprb03
Alternative URL:http://dx.doi.org/10.1103/PhysRevB.67.140101
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5623
Collection:CaltechAUTHORS
Deposited By: Lindsay Cleary
Deposited On:26 Oct 2006
Last Modified:26 Dec 2012 09:13

Repository Staff Only: item control page