Free energy change of a dislocation due to a Cottrell atmosphere
Abstract
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.
- Authors:
-
- Sandia National Lab. (SNL-CA), Livermore, CA (United States); Stanford Univ., CA (United States). Dept. of Mechanical Engineering
- Stanford Univ., CA (United States). Dept. of Mechanical Engineering
- Publication Date:
- 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
- OSTI Identifier:
- 1426811
- Report Number(s):
- SAND-2018-2133J
Journal ID: ISSN 1478-6435; 661000
- Grant/Contract Number:
- AC04-94AL85000; SC0010412; NA0003525
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Philosophical Magazine (2003, Print)
- Additional Journal Information:
- Journal Name: Philosophical Magazine (2003, Print); Journal Volume: 98; Journal Issue: 16; Journal ID: ISSN 1478-6435
- Publisher:
- Taylor & Francis
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 97 MATHEMATICS AND COMPUTING; 42 ENGINEERING; Dislocations; solid solutions; dislocation dynamics; hydrogen
Citation Formats
Sills, R. B., and Cai, W. Free energy change of a dislocation due to a Cottrell atmosphere. United States: N. p., 2018.
Web. doi:10.1080/14786435.2018.1441560.
Sills, R. B., & Cai, W. Free energy change of a dislocation due to a Cottrell atmosphere. United States. https://doi.org/10.1080/14786435.2018.1441560
Sills, R. B., and Cai, W. Wed .
"Free energy change of a dislocation due to a Cottrell atmosphere". United States. https://doi.org/10.1080/14786435.2018.1441560. https://www.osti.gov/servlets/purl/1426811.
@article{osti_1426811,
title = {Free energy change of a dislocation due to a Cottrell atmosphere},
author = {Sills, R. B. and Cai, W.},
abstractNote = {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.},
doi = {10.1080/14786435.2018.1441560},
journal = {Philosophical Magazine (2003, Print)},
number = 16,
volume = 98,
place = {United States},
year = {Wed Mar 07 00:00:00 EST 2018},
month = {Wed Mar 07 00:00:00 EST 2018}
}
Web of Science
Figures / Tables:
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Works referencing / citing this record:
Influence of hydrogen core force shielding on dislocation junctions in iron
journal, March 2020
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Multiscale analysis of hydrogen-induced softening in f.c.c. nickel single crystals oriented for multiple-slips: elastic screening effect
journal, September 2019
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Multiscale analysis of hydrogen-induced softening in f.c.c. nickel single crystals oriented for multiple-slips: elastic screening effect
journal, September 2019
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Figures / Tables found in this record: