Alloying Solid Solution Strengthening of Fe-Ga Alloys: A First-Principle Study

Abstract

First-principles spin polarized calculations have been implemented by using the Discrete Molecular "DMol3" package to investigate the strengthening effect from alloying additions of Nb, Mo, V, Cr and Co in cubic solid solution of Fe-Ga alloys. Mayer bond order "BO" values were used to evaluate the atomic bond strengths in the alloys, and were then used to assess the alloying strengthening characteristics. Results from the calculation suggested that transition metal Nb achieves the best strengthening effect in Fe-Ga alloys. The solid solution strengthening follows a trend from larger to smaller by Nb, Mo, V, Cr and Co. The effect of Ga on individual bond strength variation between Fe and alloying elements and also on alloying strengthening was examined.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 2006
Accession Number
ADA472974

Entities

People

  • Kuiying Chen
  • Leon M. Cheng

Organizations

  • Defence Research and Development Canada

Tags

Communities of Interest

  • Sensors
  • Space

DTIC Thesaurus Topics

  • Alloys
  • Charge Density
  • Chemical Compounds
  • Computational Chemistry Methods
  • Density Functional Theory
  • Elements
  • Equations
  • First Principles Calculations
  • Information Operations
  • Materials
  • Mechanical Properties
  • Metals
  • Military Research
  • Solid Solutions
  • Transition Metals
  • Transitions

Fields of Study

  • Materials science

Readers

  • Materials Science and Engineering.
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