Loading…
Energies of defects in ordered alloys: dislocation core energies in NiAl
We present a new method for the calculation of the excess energies of line and planar defects in ordered alloys, which reconciles the macroscopic thermodynamic concept of a Gibbsian excess energy with the results of total energy calculations on the atomic scale. The method is applied here to the cal...
Saved in:
Published in: | Acta materialia 1996-03, Vol.46 (3), p.919-926 |
---|---|
Main Authors: | , , |
Format: | Article |
Language: | English |
Online Access: | Get full text |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
cited_by | |
---|---|
cites | |
container_end_page | 926 |
container_issue | 3 |
container_start_page | 919 |
container_title | Acta materialia |
container_volume | 46 |
creator | Gumbsch, P Schroll, R Finnis, M W |
description | We present a new method for the calculation of the excess energies of line and planar defects in ordered alloys, which reconciles the macroscopic thermodynamic concept of a Gibbsian excess energy with the results of total energy calculations on the atomic scale. The method is applied here to the calculation of dislocation line energies in NiAl using an embedded atom model. On the basis of our results we discuss the energetics of various dislocation dissociation reactions. |
format | article |
fullrecord | <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_miscellaneous_26270245</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>26270245</sourcerecordid><originalsourceid>FETCH-proquest_miscellaneous_262702453</originalsourceid><addsrcrecordid>eNqNy70OgjAUQOEOmog_73AnN5JSCkQ3YzBMTu6kaS-mpvZqLwy-vQ66O53lOzORFWW1y2td6YVYMt-kLFSjZSa6NmK6emSgARwOaEcGH4GSw4QOTAj04j04z4GsGT1FsJQQ8Pd98NkfwlrMBxMYN9-uxPbUXo5d_kj0nJDH_u7ZYggmIk3cq1o1Uumq_Bu-AUK5PkA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>26270245</pqid></control><display><type>article</type><title>Energies of defects in ordered alloys: dislocation core energies in NiAl</title><source>ScienceDirect Journals</source><creator>Gumbsch, P ; Schroll, R ; Finnis, M W</creator><creatorcontrib>Gumbsch, P ; Schroll, R ; Finnis, M W</creatorcontrib><description>We present a new method for the calculation of the excess energies of line and planar defects in ordered alloys, which reconciles the macroscopic thermodynamic concept of a Gibbsian excess energy with the results of total energy calculations on the atomic scale. The method is applied here to the calculation of dislocation line energies in NiAl using an embedded atom model. On the basis of our results we discuss the energetics of various dislocation dissociation reactions.</description><identifier>ISSN: 1359-6454</identifier><language>eng</language><ispartof>Acta materialia, 1996-03, Vol.46 (3), p.919-926</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780</link.rule.ids></links><search><creatorcontrib>Gumbsch, P</creatorcontrib><creatorcontrib>Schroll, R</creatorcontrib><creatorcontrib>Finnis, M W</creatorcontrib><title>Energies of defects in ordered alloys: dislocation core energies in NiAl</title><title>Acta materialia</title><description>We present a new method for the calculation of the excess energies of line and planar defects in ordered alloys, which reconciles the macroscopic thermodynamic concept of a Gibbsian excess energy with the results of total energy calculations on the atomic scale. The method is applied here to the calculation of dislocation line energies in NiAl using an embedded atom model. On the basis of our results we discuss the energetics of various dislocation dissociation reactions.</description><issn>1359-6454</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><recordid>eNqNy70OgjAUQOEOmog_73AnN5JSCkQ3YzBMTu6kaS-mpvZqLwy-vQ66O53lOzORFWW1y2td6YVYMt-kLFSjZSa6NmK6emSgARwOaEcGH4GSw4QOTAj04j04z4GsGT1FsJQQ8Pd98NkfwlrMBxMYN9-uxPbUXo5d_kj0nJDH_u7ZYggmIk3cq1o1Uumq_Bu-AUK5PkA</recordid><startdate>19960317</startdate><enddate>19960317</enddate><creator>Gumbsch, P</creator><creator>Schroll, R</creator><creator>Finnis, M W</creator><scope>7QF</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>19960317</creationdate><title>Energies of defects in ordered alloys: dislocation core energies in NiAl</title><author>Gumbsch, P ; Schroll, R ; Finnis, M W</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-proquest_miscellaneous_262702453</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Gumbsch, P</creatorcontrib><creatorcontrib>Schroll, R</creatorcontrib><creatorcontrib>Finnis, M W</creatorcontrib><collection>Aluminium Industry Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Acta materialia</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Gumbsch, P</au><au>Schroll, R</au><au>Finnis, M W</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Energies of defects in ordered alloys: dislocation core energies in NiAl</atitle><jtitle>Acta materialia</jtitle><date>1996-03-17</date><risdate>1996</risdate><volume>46</volume><issue>3</issue><spage>919</spage><epage>926</epage><pages>919-926</pages><issn>1359-6454</issn><abstract>We present a new method for the calculation of the excess energies of line and planar defects in ordered alloys, which reconciles the macroscopic thermodynamic concept of a Gibbsian excess energy with the results of total energy calculations on the atomic scale. The method is applied here to the calculation of dislocation line energies in NiAl using an embedded atom model. On the basis of our results we discuss the energetics of various dislocation dissociation reactions.</abstract></addata></record> |
fulltext | fulltext |
identifier | ISSN: 1359-6454 |
ispartof | Acta materialia, 1996-03, Vol.46 (3), p.919-926 |
issn | 1359-6454 |
language | eng |
recordid | cdi_proquest_miscellaneous_26270245 |
source | ScienceDirect Journals |
title | Energies of defects in ordered alloys: dislocation core energies in NiAl |
url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-21T16%3A21%3A25IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Energies%20of%20defects%20in%20ordered%20alloys:%20dislocation%20core%20energies%20in%20NiAl&rft.jtitle=Acta%20materialia&rft.au=Gumbsch,%20P&rft.date=1996-03-17&rft.volume=46&rft.issue=3&rft.spage=919&rft.epage=926&rft.pages=919-926&rft.issn=1359-6454&rft_id=info:doi/&rft_dat=%3Cproquest%3E26270245%3C/proquest%3E%3Cgrp_id%3Ecdi_FETCH-proquest_miscellaneous_262702453%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=26270245&rft_id=info:pmid/&rfr_iscdi=true |