CLASSIC MANY BODY POTENTIAL FOR CONCENTRATED ALLOYS, AND THE INVERSION OF ORDER IN FE-CR

PDF Version Also Available for Download.

Description

Atomistic simulations of alloys at the classic--or empirical--level face the challenge to correctly model basic thermodynamic properties. In this work we propose a methodology to generalize many-body classic potentials to incorporate complex formation energy curves. Application to Fe-Cr allows us to correctly predict the order vs segregation tendency in this alloy, as observed experimentally and calculated with ab initio techniques, providing in this way a potential suitable for radiation damage studies.

Physical Description

6 p. (0.2 MB)

Creation Information

Caro, A; Crowson, D A & Caro, M April 14, 2005.

Context

This article is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Publisher

Provided By

UNT Libraries Government Documents Department

Serving as both a federal and a state depository library, the UNT Libraries Government Documents Department maintains millions of items in a variety of formats. The department is a member of the FDLP Content Partnerships Program and an Affiliated Archive of the National Archives.

Contact Us

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Description

Atomistic simulations of alloys at the classic--or empirical--level face the challenge to correctly model basic thermodynamic properties. In this work we propose a methodology to generalize many-body classic potentials to incorporate complex formation energy curves. Application to Fe-Cr allows us to correctly predict the order vs segregation tendency in this alloy, as observed experimentally and calculated with ab initio techniques, providing in this way a potential suitable for radiation damage studies.

Physical Description

6 p. (0.2 MB)

Notes

PDF-file: 6 pages; size: 0.2 Mbytes

Source

  • Journal Name: Physical Review Letters; Journal Volume: 95

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

  • Report No.: UCRL-JRNL-211500
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 877885
  • Archival Resource Key: ark:/67531/metadc874171

Collections

This article is part of the following collection of related materials.

Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

What responsibilities do I have when using this article?

When

Dates and time periods associated with this article.

Creation Date

  • April 14, 2005

Added to The UNT Digital Library

  • Sept. 21, 2016, 2:29 a.m.

Description Last Updated

  • April 17, 2017, 12:10 p.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 0
Total Uses: 1

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Caro, A; Crowson, D A & Caro, M. CLASSIC MANY BODY POTENTIAL FOR CONCENTRATED ALLOYS, AND THE INVERSION OF ORDER IN FE-CR, article, April 14, 2005; Livermore, California. (digital.library.unt.edu/ark:/67531/metadc874171/: accessed May 24, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.