On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass
Entropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extreme conditions. However, the origin and accurate quantification of entropy in this situation remain long-standing challenges. In this work, a framework is establis...
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2024-03-01
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| Series: | Matter and Radiation at Extremes |
| Online Access: | http://dx.doi.org/10.1063/5.0176138 |
| _version_ | 1797228384166608896 |
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| author | Kaiguo Chen Bo Chen Yinan Cui Yuying Yu Jidong Yu Huayun Geng Dongdong Kang Jianhua Wu Yao Shen Jiayu Dai |
| author_facet | Kaiguo Chen Bo Chen Yinan Cui Yuying Yu Jidong Yu Huayun Geng Dongdong Kang Jianhua Wu Yao Shen Jiayu Dai |
| author_sort | Kaiguo Chen |
| collection | DOAJ |
| description | Entropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extreme conditions. However, the origin and accurate quantification of entropy in this situation remain long-standing challenges. In this work, a framework is established for the quantification of entropy production and partition, and their relation to microstructural change in QIC. Cu50Zr50 is taken as a model material, and its compression is simulated by molecular dynamics. On the basis of atomistic simulation-informed physical properties and free energy, the thermodynamic path is recovered, and the entropy production and its relation to microstructural change are successfully quantified by the proposed framework. Contrary to intuition, entropy production during QIC of metallic glasses is relatively insensitive to the strain rate γ̇ when γ̇ ranges from 7.5 × 108 to 2 × 109/s, which are values reachable in QIC experiments, with a magnitude of the order of 10−2 kB/atom per GPa. However, when γ̇ is extremely high (>2×109/s), a notable increase in entropy production rate with γ̇ is observed. The Taylor–Quinney factor is found to vary with strain but not with strain rate in the simulated regime. It is demonstrated that entropy production is dominated by the configurational part, compared with the vibrational part. In the rate-insensitive regime, the increase in configurational entropy exhibits a linear relation to the Shannon-entropic quantification of microstructural change, and a stretched exponential relation to the Taylor–Quinney factor. The quantification of entropy is expected to provide thermodynamic insights into the fundamental relation between microstructure evolution and plastic dissipation. |
| first_indexed | 2024-04-24T14:55:50Z |
| format | Article |
| id | doaj.art-9d9db71e86a94491a1b2833b6d8a21f8 |
| institution | Directory Open Access Journal |
| issn | 2468-080X |
| language | English |
| last_indexed | 2024-04-24T14:55:50Z |
| publishDate | 2024-03-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | Matter and Radiation at Extremes |
| spelling | doaj.art-9d9db71e86a94491a1b2833b6d8a21f82024-04-02T19:19:20ZengAIP Publishing LLCMatter and Radiation at Extremes2468-080X2024-03-0192027802027802-1610.1063/5.0176138On the thermodynamics of plasticity during quasi-isentropic compression of metallic glassKaiguo Chen0Bo Chen1Yinan Cui2Yuying Yu3Jidong Yu4Huayun Geng5Dongdong Kang6Jianhua Wu7Yao Shen8Jiayu Dai9College of Science, National University of Defense Technology, Changsha 410073, People’s Republic of ChinaCollege of Science, National University of Defense Technology, Changsha 410073, People’s Republic of ChinaApplied Mechanics Laboratory, Department of Engineering Mechanics, School of Aerospace, Tsinghua University, Beijing 100084, People’s Republic of ChinaInstitute of Fluid Physics, China Academy of Engineering Physics, Mianyang, People’s Republic of ChinaInstitute of Fluid Physics, China Academy of Engineering Physics, Mianyang, People’s Republic of ChinaInstitute of Fluid Physics, China Academy of Engineering Physics, Mianyang, People’s Republic of ChinaCollege of Science, National University of Defense Technology, Changsha 410073, People’s Republic of ChinaCollege of Science, National University of Defense Technology, Changsha 410073, People’s Republic of ChinaDepartment of Material Science and Technology, Shanghai Jiao Tong University, Shanghai, People’s Republic of ChinaCollege of Science, National University of Defense Technology, Changsha 410073, People’s Republic of ChinaEntropy production in quasi-isentropic compression (QIC) is critically important for understanding the properties of materials under extreme conditions. However, the origin and accurate quantification of entropy in this situation remain long-standing challenges. In this work, a framework is established for the quantification of entropy production and partition, and their relation to microstructural change in QIC. Cu50Zr50 is taken as a model material, and its compression is simulated by molecular dynamics. On the basis of atomistic simulation-informed physical properties and free energy, the thermodynamic path is recovered, and the entropy production and its relation to microstructural change are successfully quantified by the proposed framework. Contrary to intuition, entropy production during QIC of metallic glasses is relatively insensitive to the strain rate γ̇ when γ̇ ranges from 7.5 × 108 to 2 × 109/s, which are values reachable in QIC experiments, with a magnitude of the order of 10−2 kB/atom per GPa. However, when γ̇ is extremely high (>2×109/s), a notable increase in entropy production rate with γ̇ is observed. The Taylor–Quinney factor is found to vary with strain but not with strain rate in the simulated regime. It is demonstrated that entropy production is dominated by the configurational part, compared with the vibrational part. In the rate-insensitive regime, the increase in configurational entropy exhibits a linear relation to the Shannon-entropic quantification of microstructural change, and a stretched exponential relation to the Taylor–Quinney factor. The quantification of entropy is expected to provide thermodynamic insights into the fundamental relation between microstructure evolution and plastic dissipation.http://dx.doi.org/10.1063/5.0176138 |
| spellingShingle | Kaiguo Chen Bo Chen Yinan Cui Yuying Yu Jidong Yu Huayun Geng Dongdong Kang Jianhua Wu Yao Shen Jiayu Dai On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass Matter and Radiation at Extremes |
| title | On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass |
| title_full | On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass |
| title_fullStr | On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass |
| title_full_unstemmed | On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass |
| title_short | On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass |
| title_sort | on the thermodynamics of plasticity during quasi isentropic compression of metallic glass |
| url | http://dx.doi.org/10.1063/5.0176138 |
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