Free energy change of a dislocation due to a Cottrell atmosphere

Sills, R. B.; Cai, W.

doi:10.1080/14786435.2018.1441560

Free energy change of a dislocation due to a Cottrell atmosphere

Journal Article · Wed Mar 07 00:00:00 EST 2018 · Philosophical Magazine (2003, Print)

DOI:https://doi.org/10.1080/14786435.2018.1441560· OSTI ID:1426811

Sills, R. B. ^[1]; Cai, W. ^[2]

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

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.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (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; NA0003525; SC0010412

OSTI ID:: 1426811

Report Number(s):: SAND--2018-2133J; 661000

Journal Information:: Philosophical Magazine (2003, Print), Journal Name: Philosophical Magazine (2003, Print) Journal Issue: 16 Vol. 98; ISSN 1478-6435

Publisher:: Taylor & FrancisCopyright Statement

Country of Publication:: United States

Language:: English

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Multiscale analysis of hydrogen-induced softening in f.c.c. nickel single crystals oriented for multiple-slips: elastic screening effect Ghermaoui, I. M. A.; Oudriss, A.; Metsue, A. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-49420-6	journal	September 2019
Influence of hydrogen core force shielding on dislocation junctions in iron Yu, Haiyang; Katzarov, Ivaylo H.; Paxton, Anthony T. Physical Review Materials, Vol. 4, Issue 3 https://doi.org/10.1103/physrevmaterials.4.033607	journal	March 2020

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42 ENGINEERING
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Free energy change of a dislocation due to a Cottrell atmosphere

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Cited By (2)

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