The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations

Zongrui Pei; Junqi Yin

doi:10.1016/j.matdes.2019.108286

The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations

Zongrui Pei, Junqi Yin

Analytics and AI Methods at Scale

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17 Scopus citations

Abstract

Understanding the deformation mechanisms of Mg has been a long-standing and significant problem for materials scientists. Currently, there are two widely acknowledged ductility-improving mechanisms, i.e., the dislocation nucleation mechanism and dislocation mobility mechanism. Since the two mechanisms were previously investigated using very different solute sets, hitherto there is no clear understanding of the relation between them. Based on the newly proposed descriptors for the mechanisms, high-throughput calculations are performed for 63 solutes. Our results confirm that the two mechanisms are strongly correlated. In most of the cases, the same solute has the same effect on the deformation through both mechanisms.

Original language	English
Article number	108286
Journal	Materials and Design
Volume	186
DOIs	https://doi.org/10.1016/j.matdes.2019.108286
State	Published - Jan 15 2020

Funding

This work was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. This research used resources of Oak Ridge National Laboratory's Compute and Data Environment for Science (CADES) and the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. This work was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. This research used resources of Oak Ridge National Laboratory's Compute and Data Environment for Science (CADES) and the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725 .

Funders	Funder number
Data Environment for Science
Materials Science and Engineering Division
Oak Ridge National Laboratory
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Oak Ridge National Laboratory
Cades Foundation	DE-AC05-00OR22725
Division of Materials Sciences and Engineering

Keywords

Deformation mechanisms
Mg alloys
modeling,high-throughput

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10.1016/j.matdes.2019.108286

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abstract = "Understanding the deformation mechanisms of Mg has been a long-standing and significant problem for materials scientists. Currently, there are two widely acknowledged ductility-improving mechanisms, i.e., the dislocation nucleation mechanism and dislocation mobility mechanism. Since the two mechanisms were previously investigated using very different solute sets, hitherto there is no clear understanding of the relation between them. Based on the newly proposed descriptors for the mechanisms, high-throughput calculations are performed for 63 solutes. Our results confirm that the two mechanisms are strongly correlated. In most of the cases, the same solute has the same effect on the deformation through both mechanisms.",

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The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations

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