U.S. Department of EnergyOffice of Scientific and Technical Information
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. (LLNL), Livermore, 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. 1994.
"First-principles approaches to materials stability". United States. 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 = {},
url = {https://www.osti.gov/biblio/61744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {1994},
month = {12}
}
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