Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions
The mechanical properties of metallic nanoglasses (NGs) strongly depend on the average size of glassy grains (Davg). Nevertheless, current knowledge on the effects of sizes of glassy grains is incomplete for the mechanical properties of NGs. Herein, ZrxCu100-x (25 ≤ x ≤ 75) nanoglasses containing gl...
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| Format: | Article |
| Language: | English |
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Frontiers Media S.A.
2024-02-01
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| Series: | Frontiers in Materials |
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| Online Access: | https://www.frontiersin.org/articles/10.3389/fmats.2024.1355522/full |
| _version_ | 1797305259782045696 |
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| author | Tian Li Tian Li Tian Li Nana Li Nana Li Bo Kuang Guangping Zheng |
| author_facet | Tian Li Tian Li Tian Li Nana Li Nana Li Bo Kuang Guangping Zheng |
| author_sort | Tian Li |
| collection | DOAJ |
| description | The mechanical properties of metallic nanoglasses (NGs) strongly depend on the average size of glassy grains (Davg). Nevertheless, current knowledge on the effects of sizes of glassy grains is incomplete for the mechanical properties of NGs. Herein, ZrxCu100-x (25 ≤ x ≤ 75) nanoglasses containing glassy grains with different chemical compositions, i.e., the heterogeneous NGs (HNGs), are investigated by molecular dynamics simulation, and the relation between ultimate tensile strength (UTS) and Davg is determined. Specifically, the UTS decreases with decreasing Davg in Zr-Cu HNGs when Davg < 10 nm, mainly resulting from the increased volume fraction of glass-glass interfaces, while UTS would follow the Hall–Petch like relation for Zr-Cu HNGs when Davg > 10 nm, which is closely related to glassy grains with compositions dominated by Zr atoms. This study provides a deep insight into the mechanical property dependence on grain size in the HNGs, which could be a novel strategy in resolving the issue of strength-ductility tradeoff in NGs. |
| first_indexed | 2024-03-08T00:22:23Z |
| format | Article |
| id | doaj.art-dba95eb6f6ff4df89d153a8842e7ecfa |
| institution | Directory Open Access Journal |
| issn | 2296-8016 |
| language | English |
| last_indexed | 2024-03-08T00:22:23Z |
| publishDate | 2024-02-01 |
| publisher | Frontiers Media S.A. |
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| series | Frontiers in Materials |
| spelling | doaj.art-dba95eb6f6ff4df89d153a8842e7ecfa2024-02-16T04:32:21ZengFrontiers Media S.A.Frontiers in Materials2296-80162024-02-011110.3389/fmats.2024.13555221355522Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositionsTian Li0Tian Li1Tian Li2Nana Li3Nana Li4Bo Kuang5Guangping Zheng6CDGM Glass Co., Ltd., Chengdu, ChinaChengdu Guangming Paite Precious Metal Co., Ltd., Chengdu, ChinaDepartment of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong SAR, ChinaCDGM Glass Co., Ltd., Chengdu, ChinaThe Hong Kong University of Science and Technology, Kowloon, Hong Kong SAR, ChinaCDGM Glass Co., Ltd., Chengdu, ChinaDepartment of Mechanical Engineering, The Hong Kong Polytechnic University, Kowloon, Hong Kong SAR, ChinaThe mechanical properties of metallic nanoglasses (NGs) strongly depend on the average size of glassy grains (Davg). Nevertheless, current knowledge on the effects of sizes of glassy grains is incomplete for the mechanical properties of NGs. Herein, ZrxCu100-x (25 ≤ x ≤ 75) nanoglasses containing glassy grains with different chemical compositions, i.e., the heterogeneous NGs (HNGs), are investigated by molecular dynamics simulation, and the relation between ultimate tensile strength (UTS) and Davg is determined. Specifically, the UTS decreases with decreasing Davg in Zr-Cu HNGs when Davg < 10 nm, mainly resulting from the increased volume fraction of glass-glass interfaces, while UTS would follow the Hall–Petch like relation for Zr-Cu HNGs when Davg > 10 nm, which is closely related to glassy grains with compositions dominated by Zr atoms. This study provides a deep insight into the mechanical property dependence on grain size in the HNGs, which could be a novel strategy in resolving the issue of strength-ductility tradeoff in NGs.https://www.frontiersin.org/articles/10.3389/fmats.2024.1355522/fullmetallic nanoglassesnon-crystalline alloysmechanical propertiesmolecular dynamicsgrain-size effects |
| spellingShingle | Tian Li Tian Li Tian Li Nana Li Nana Li Bo Kuang Guangping Zheng Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions Frontiers in Materials metallic nanoglasses non-crystalline alloys mechanical properties molecular dynamics grain-size effects |
| title | Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions |
| title_full | Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions |
| title_fullStr | Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions |
| title_full_unstemmed | Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions |
| title_short | Molecular dynamics simulation on the mechanical properties of Zr-Cu metallic nanoglasses with heterogeneous chemical compositions |
| title_sort | molecular dynamics simulation on the mechanical properties of zr cu metallic nanoglasses with heterogeneous chemical compositions |
| topic | metallic nanoglasses non-crystalline alloys mechanical properties molecular dynamics grain-size effects |
| url | https://www.frontiersin.org/articles/10.3389/fmats.2024.1355522/full |
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