Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study
The chemical short range order of metallic glasses is expected to be correlated with their mechanical properties. In this article, classic molecular dynamics simulations of amorphous Zr45Cu45Ag10 alloys were carried out to reveal such links in metallic glasses. Our calculations of Warren–Cowley para...
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| Other Authors: | |
| Format: | Journal Article |
| Language: | English |
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2018
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| Online Access: | https://hdl.handle.net/10356/88213 http://hdl.handle.net/10220/44569 |
| _version_ | 1826127573844754432 |
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| author | Tang, Chao Wong, Chee How |
| author2 | School of Mechanical and Aerospace Engineering |
| author_facet | School of Mechanical and Aerospace Engineering Tang, Chao Wong, Chee How |
| author_sort | Tang, Chao |
| collection | NTU |
| description | The chemical short range order of metallic glasses is expected to be correlated with their mechanical properties. In this article, classic molecular dynamics simulations of amorphous Zr45Cu45Ag10 alloys were carried out to reveal such links in metallic glasses. Our calculations of Warren–Cowley parameter indicate the growth of chemical short range order during supercooling process, which also depends on the effective cooling rates. The chemical short range ordering is related to the energetic stability of the system. Based on the chemical preference or avoidance for different bonds, the model is separated into Cu-rich regions and Ag-rich regions. Simulated structural relaxation and shear loading process were performed to study how chemical bonds affect the distribution of dynamic and mechanical heterogeneity in our systems. The Cu-rich regions exhibit slower dynamics and higher shear resistance, whereas Ag-rich regions have faster dynamics and prefer to be plastically deformed. |
| first_indexed | 2024-10-01T07:10:47Z |
| format | Journal Article |
| id | ntu-10356/88213 |
| institution | Nanyang Technological University |
| language | English |
| last_indexed | 2024-10-01T07:10:47Z |
| publishDate | 2018 |
| record_format | dspace |
| spelling | ntu-10356/882132020-03-07T13:19:27Z Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study Tang, Chao Wong, Chee How School of Mechanical and Aerospace Engineering Metallic Glasses Inhomogeneous Deformation The chemical short range order of metallic glasses is expected to be correlated with their mechanical properties. In this article, classic molecular dynamics simulations of amorphous Zr45Cu45Ag10 alloys were carried out to reveal such links in metallic glasses. Our calculations of Warren–Cowley parameter indicate the growth of chemical short range order during supercooling process, which also depends on the effective cooling rates. The chemical short range ordering is related to the energetic stability of the system. Based on the chemical preference or avoidance for different bonds, the model is separated into Cu-rich regions and Ag-rich regions. Simulated structural relaxation and shear loading process were performed to study how chemical bonds affect the distribution of dynamic and mechanical heterogeneity in our systems. The Cu-rich regions exhibit slower dynamics and higher shear resistance, whereas Ag-rich regions have faster dynamics and prefer to be plastically deformed. 2018-03-15T08:44:02Z 2019-12-06T16:58:23Z 2018-03-15T08:44:02Z 2019-12-06T16:58:23Z 2015 Journal Article Tang, C., & Wong, C. H. (2016). Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study. Intermetallics, 70, 61-67. 0966-9795 https://hdl.handle.net/10356/88213 http://hdl.handle.net/10220/44569 10.1016/j.intermet.2015.12.010 en Intermetallics © 2015 Elsevier. |
| spellingShingle | Metallic Glasses Inhomogeneous Deformation Tang, Chao Wong, Chee How Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study |
| title | Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study |
| title_full | Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study |
| title_fullStr | Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study |
| title_full_unstemmed | Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study |
| title_short | Formation of chemical short range order and its influences on the dynamic/mechanical heterogeneity in amorphous Zr–Cu–Ag alloys: A molecular dynamics study |
| title_sort | formation of chemical short range order and its influences on the dynamic mechanical heterogeneity in amorphous zr cu ag alloys a molecular dynamics study |
| topic | Metallic Glasses Inhomogeneous Deformation |
| url | https://hdl.handle.net/10356/88213 http://hdl.handle.net/10220/44569 |
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