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Title: Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.

Abstract

It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipated based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.

Authors:
 [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA), Office of Defense Science (NA-113)
OSTI Identifier:
1406881
Report Number(s):
SAND-2017-11595
658172
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING

Citation Formats

Foiles, Stephen M. Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.. United States: N. p., 2017. Web. doi:10.2172/1406881.
Foiles, Stephen M. Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.. United States. doi:10.2172/1406881.
Foiles, Stephen M. Sun . "Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.". United States. doi:10.2172/1406881. https://www.osti.gov/servlets/purl/1406881.
@article{osti_1406881,
title = {Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.},
author = {Foiles, Stephen M.},
abstractNote = {It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipated based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.},
doi = {10.2172/1406881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Oct 01 00:00:00 EDT 2017},
month = {Sun Oct 01 00:00:00 EDT 2017}
}

Technical Report:

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