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

Journal Article · · Philosophical Magazine (2003, Print)
 [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
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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.

Research Organization:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
Grant/Contract Number:
AC04-94AL85000; SC0010412; NA0003525
OSTI ID:
1426811
Report Number(s):
SAND-2018-2133J; 661000
Journal Information:
Philosophical Magazine (2003, Print), Vol. 98, Issue 16; ISSN 1478-6435
Publisher:
Taylor & FrancisCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 24 works
Citation information provided by
Web of Science

References (23)

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Cited By (2)

Influence of hydrogen core force shielding on dislocation junctions in iron journal March 2020
Multiscale analysis of hydrogen-induced softening in f.c.c. nickel single crystals oriented for multiple-slips: elastic screening effect journal September 2019

Figures / Tables (6)

Figure 1(p. 6)figure Figure 1
Figure 2(p. 8)figure Figure 2
Figure 3(p. 9)figure Figure 3
Figure 4(p. 10)figure Figure 4
Figure 5(p. 12)figure Figure 5
Figure A1(p. 15)figure Figure A1

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Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
97 MATHEMATICS AND COMPUTING
42 ENGINEERING
Dislocations
solid solutions
dislocation dynamics
hydrogen