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Title: Free energy change of a dislocation due to a Cottrell atmosphere

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predicting hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.
 [1] ;  [2]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stanford Univ., CA (United States). Dept. of Mechanical Engineering
  2. Stanford Univ., CA (United States). Dept. of Mechanical Engineering
Publication Date:
Report Number(s):
Journal ID: ISSN 1478-6435; 661000
Grant/Contract Number:
AC04-94AL85000; SC0010412; NA0003525
Accepted Manuscript
Journal Name:
Philosophical Magazine (2003, Print)
Additional Journal Information:
Journal Name: Philosophical Magazine (2003, Print); Journal ID: ISSN 1478-6435
Taylor & Francis
Research Org:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Country of Publication:
United States
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 97 MATHEMATICS AND COMPUTING; 42 ENGINEERING; Dislocations; solid solutions; dislocation dynamics; hydrogen
OSTI Identifier: