Non-Schmid effects in a model refractory multi-principal element alloy: phase-field dislocation dynamics informed by atomistic simulations
| Autor: | Hyojung Kim, Nithin Mathew, Darby J. Luscher, Abigail Hunter |
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| Jazyk: | angličtina |
| Rok vydání: | 2024 |
| Předmět: | |
| Zdroj: | Materials Research Letters, Vol 12, Iss 3, Pp 190-198 (2024) |
| Druh dokumentu: | article |
| ISSN: | 21663831 2166-3831 |
| DOI: | 10.1080/21663831.2024.2313104 |
| Popis: | Non-Schmid effects in a representative refractory multi-principal element alloy (MPEA), MoNbTi, are investigated using molecular statics (MS) and phase field dislocation dynamics (PFDD). In addition to imposing a statistical distribution for the energetic barrier to slip, incorporating properties of the screw dislocation core is critical in capturing the wide range of MS-predicted non-Schmid effects. PFDD energy terms are enhanced to better capture the varying screw dislocation core-widths under loading as informed by MS. These enhancements demonstrate that incorporating the details of screw dislocation cores, in different chemical environments, has the strongest effect on representing the MS-predicted range of non-Schmid effects.Impact StatementVarying degrees of non-Schmid effects, unique to refractory MPEAs, are studied for the first time using atomistic and mesoscale models and are shown to result from environment-dependent properties of screw dislocation cores. |
| Databáze: | Directory of Open Access Journals |
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