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Title: First-principles approaches to materials stability

Abstract

Parameter-free electronic structure approaches are now being used to predict chemical order, and to a lesser extent, structural transformations in multi-component alloys, as a function of temperature, concentration and pressure. The underlying state-of-the-art framework will be briefly reviewed, and applications to specific aspects of the statics and kinetics of alloy transformations will be discussed. Finally special emphasis will be put on the relations between stability and mechanical properties in substitutional alloys with examples pertaining to the energetics of antiphase boundaries and interfaces.

Authors:
Publication Date:
Research Org.:
Lawrence Livermore National Lab., CA (United States)
Sponsoring Org.:
USDOE, Washington, DC (United States)
OSTI Identifier:
61744
Report Number(s):
UCRL-JC-116447; CONF-9410184-7
ON: DE95011533; TRN: 95:004306
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Conference
Resource Relation:
Conference: The Metallurgical Society (TMS) conference on high performance composites, Rosemont, IL (United States), 10-15 Oct 1994; Other Information: PBD: Dec 1994
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ALLOYS; PHASE TRANSFORMATIONS; ELECTRONIC STRUCTURE; EQUATIONS; THERMODYNAMIC PROPERTIES; INTERFACES; PHASE DIAGRAMS; ORDER-DISORDER TRANSFORMATIONS

Citation Formats

Turchi, P.E.A. First-principles approaches to materials stability. United States: N. p., 1994. Web.
Turchi, P.E.A. First-principles approaches to materials stability. United States.
Turchi, P.E.A. Thu . "First-principles approaches to materials stability". United States. doi:. https://www.osti.gov/servlets/purl/61744.
@article{osti_61744,
title = {First-principles approaches to materials stability},
author = {Turchi, P.E.A.},
abstractNote = {Parameter-free electronic structure approaches are now being used to predict chemical order, and to a lesser extent, structural transformations in multi-component alloys, as a function of temperature, concentration and pressure. The underlying state-of-the-art framework will be briefly reviewed, and applications to specific aspects of the statics and kinetics of alloy transformations will be discussed. Finally special emphasis will be put on the relations between stability and mechanical properties in substitutional alloys with examples pertaining to the energetics of antiphase boundaries and interfaces.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Dec 01 00:00:00 EST 1994},
month = {Thu Dec 01 00:00:00 EST 1994}
}

Conference:
Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this conference proceeding.

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