Influence of solutes on the core structures of $\langle$α$\rangle$-type screw dislocations in $α$-Ti

Rothchild, Eric; Li, Siying; Jany, David; Chrzan, D. C.

doi:10.1103/physrevmaterials.9.023602

Influence of solutes on the core structures of $$\langle$$α$$\rangle$$-type screw dislocations in $$α$$-Ti

Journal Article · Mon Feb 24 00:00:00 EST 2025 · Physical Review Materials

DOI:https://doi.org/10.1103/physrevmaterials.9.023602· OSTI ID:2540533

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Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
University of California, Berkeley, CA (United States)

The $$\langle$$α$$\rangle$$-type screw dislocations are known to be significant mediators of plasticity in hexagonal-close-packed (HCP) metals. These dislocations have polymorphic core structures, and subtle changes in the relative energies of these core structures are known to have a large impact on the dynamics of the dislocations. Here, this work identifies a previously neglected long-range elastic interstitial-solute/dislocation interaction that influences the core structures. Essentially, interstitial solutes induce a change in the dislocation core structure to minimize the energy of interaction between the solutes and the dislocation. Molecular dynamics simulations, continuum linear elasticity, and statistical analysis show that this long-range interaction can locally alter the dislocation cores so that many different polymorphs appear along a single dislocation not only because of direct contact between interstitials and the dislocation core but also because of this long-range elastic interaction.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: US Department of the Navy, Office of Naval Research (ONR); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003525

OSTI ID:: 2540533

Report Number(s):: SAND--2025-03334J

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 2 Vol. 9; ISSN 2475-9953

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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