On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass

Chen Kaiguo; Chen Bo; Cui Yinan; Yu Yuying; Yu Jidong; Geng Huayun; Kang Dongdong; Wu Jianhua; Shen Yao; Dai Jiayu

doi:10.1063/5.0176138

Volume 9 Issue 2

Mar. 2024

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Article Navigation > Matter and Radiation at Extremes > 2024 > 9(2): 027802

Chen Kaiguo, Chen Bo, Cui Yinan, Yu Yuying, Yu Jidong, Geng Huayun, Kang Dongdong, Wu Jianhua, Shen Yao, Dai Jiayu. On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass[J]. Matter and Radiation at Extremes, 2024, 9(2): 027802. doi: 10.1063/5.0176138

Citation:

Chen Kaiguo, Chen Bo, Cui Yinan, Yu Yuying, Yu Jidong, Geng Huayun, Kang Dongdong, Wu Jianhua, Shen Yao, Dai Jiayu. On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass[J]. Matter and Radiation at Extremes, 2024, 9(2): 027802. doi: 10.1063/5.0176138

Citation:

Chen Kaiguo, Chen Bo, Cui Yinan, Yu Yuying, Yu Jidong, Geng Huayun, Kang Dongdong, Wu Jianhua, Shen Yao, Dai Jiayu. On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass[J]. Matter and Radiation at Extremes, 2024, 9(2): 027802. doi: 10.1063/5.0176138

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On the thermodynamics of plasticity during quasi-isentropic compression of metallic glass

doi: 10.1063/5.0176138

Chen Kaiguo^{1, 2
,
,
,},
Chen Bo^{1, 2},
Cui Yinan³,
Yu Yuying⁴,
Yu Jidong⁴,
Geng Huayun^4
,,
Kang Dongdong^{1, 2
,},
Wu Jianhua^{1, 2},
Shen Yao^{5
,
,
,},
Dai Jiayu^{1, 2
,
,
,}

1.
College of Science, National University of Defense Technology, Changsha 410073, People’s Republic of China
2.
Hunan Key Laboratory of Extreme Matter and Applications, National University of Defense Technology, Changsha 410073, People’s Republic of China
3.
Applied Mechanics Laboratory, Department of Engineering Mechanics, School of Aerospace, Tsinghua University, Beijing 100084, People’s Republic of China
4.
Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang, People’s Republic of China
5.
Department of Material Science and Technology, Shanghai Jiao Tong University, Shanghai, People’s Republic of China

More Information

Corresponding author: a)Authors to whom correspondence should be addressed: chenkaiguo@nudt.edu.cn; yaoshen@sjtu.edu.cn; and jydai@nudt.edu.cn
Received Date: 2023-09-11
Accepted Date: 2024-01-10

Available Online: 2024-03-01

Publish Date: 2024-03-01

Abstract

Abstract

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 k_B/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.

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References(100)

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