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

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.

Authors:
;
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR)
OSTI Identifier:
1571827
Alternate Identifier(s):
OSTI ID: 1606820
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Published Article
Journal Name:
Materials & Design
Additional Journal Information:
Journal Name: Materials & Design Journal Volume: 186 Journal Issue: C; Journal ID: ISSN 0264-1275
Publisher:
Elsevier
Country of Publication:
United Kingdom
Language:
English
Subject:
36 MATERIALS SCIENCE; Mg alloys; Deformation mechanisms; modeling; high-throughput

Citation Formats

Pei, Zongrui, and Yin, Junqi. The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations. United Kingdom: N. p., 2020. Web. doi:10.1016/j.matdes.2019.108286.
Pei, Zongrui, & Yin, Junqi. The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations. United Kingdom. doi:10.1016/j.matdes.2019.108286.
Pei, Zongrui, and Yin, Junqi. Wed . "The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations". United Kingdom. doi:10.1016/j.matdes.2019.108286.
@article{osti_1571827,
title = {The relation between two ductility mechanisms for Mg alloys revealed by high-throughput simulations},
author = {Pei, Zongrui and Yin, Junqi},
abstractNote = {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.},
doi = {10.1016/j.matdes.2019.108286},
journal = {Materials & Design},
number = C,
volume = 186,
place = {United Kingdom},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1016/j.matdes.2019.108286

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