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http://hdl.handle.net/10397/91129
Title: | The effects of hydrogen distribution on the elastic properties and hydrogen-induced hardening and softening of alpha-fe | Authors: | Wang, Z Shi, XM Yang, XS Liu, ZH Shi, SQ Ma, XQ |
Issue Date: | Dec-2020 | Source: | Applied sciences, 2 Dec. 2020, v. 10, no. 24, 8958 | Abstract: | In this work, we conducted a high-throughput atomistic simulation of the interstitial solid solutions of hydrogen in alpha-Fe. The elastic constants and moduli were calculated. Through statistical analysis of structures and results, the influences of the microscopic distribution of hydrogen on the elastic moduli, as well as hydrogen-induced hardening and softening, are discussed. We found that even though the uniformly distributed hydrogen caused slight softening in alpha-Fe, the distribution of hydrogen at different adjacent positions significantly affected the elastic moduli. For example, hydrogen increased the Young's modulus and shear modulus at the 5th and 10th nearest neighbors, resulting in hardening, but decreased the bulk modulus at the 7th nearest neighbor, making the material easier to compress. These phenomena are related to the distribution densities of the positions that hydrogen atoms can occupy on the two major slip families, {110} and {112}, at different nearest neighbors distinguished by distances. | Keywords: | Hardening and softening α -Fe Hydrogen distribution Atomistic simulation |
Publisher: | Molecular Diversity Preservation International (MDPI) | Journal: | Applied sciences | EISSN: | 2076-3417 | DOI: | 10.3390/app10248958 | Rights: | © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). The following publication Wang, Z.; Shi, X.; Yang, X.-S.; Liu, Z.; Shi, S.-Q.; Ma, X. The Effects of Hydrogen Distribution on the Elastic Properties and Hydrogen-Induced Hardening and Softening of α-Fe. Appl. Sci. 2020, 10, 8958 is available at https://doi.org/10.3390/app10248958 |
Appears in Collections: | Journal/Magazine Article |
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