Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids

doi:10.1088/1674-1056/abf113

中国物理B ›› 2021, Vol. 30 ›› Issue (7): 76102-076102.doi: 10.1088/1674-1056/abf113

Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids

W J Jiang(江文杰) and M Z Li(李茂枝)^†

Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China

收稿日期:2021-02-09 修回日期:2021-03-16 接受日期:2021-03-23 出版日期:2021-06-22 发布日期:2021-06-24
通讯作者: M Z Li E-mail:maozhili@ruc.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 52031016 and 51631003).

Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids

W J Jiang(江文杰) and M Z Li(李茂枝)^†

Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China

Received:2021-02-09 Revised:2021-03-16 Accepted:2021-03-23 Online:2021-06-22 Published:2021-06-24
Contact: M Z Li E-mail:maozhili@ruc.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 52031016 and 51631003).

摘要/Abstract

摘要： The structure-dynamics correlations in a nonlocal manner were investigated in CuZr metallic glass-forming liquids via classical molecular dynamics simulations. A spatial coarse-graining approach was employed to incorporate the nonlocal structural information of given structural order parameters in the structure-dynamics relationship. It is found that the correlation between structure order parameters and dynamics increases with increasing coarse-graining length and has a characteristic length scale. Moreover, the characteristic correlation length exhibits a non-monotonic temperature evolution as temperature approaches glass transition temperature, which is not sensitive to the considered structure order parameters. Our results unveil a striking change in the structure-dynamics correlation, which involves no fitting theoretical interpretation. These findings provide new insight into the structure-dynamics correlation in glass transition.

关键词: metallic glass-forming liquid, structure-dynamics correlation, molecular dynamics simulation

Abstract: The structure-dynamics correlations in a nonlocal manner were investigated in CuZr metallic glass-forming liquids via classical molecular dynamics simulations. A spatial coarse-graining approach was employed to incorporate the nonlocal structural information of given structural order parameters in the structure-dynamics relationship. It is found that the correlation between structure order parameters and dynamics increases with increasing coarse-graining length and has a characteristic length scale. Moreover, the characteristic correlation length exhibits a non-monotonic temperature evolution as temperature approaches glass transition temperature, which is not sensitive to the considered structure order parameters. Our results unveil a striking change in the structure-dynamics correlation, which involves no fitting theoretical interpretation. These findings provide new insight into the structure-dynamics correlation in glass transition.

Key words: metallic glass-forming liquid, structure-dynamics correlation, molecular dynamics simulation

中图分类号: (Amorphous semiconductors, metals, and alloys)

61.43.Dq

64.70.pe (Metallic glasses)

W J Jiang(江文杰) and M Z Li(李茂枝). Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids[J]. 中国物理B, 2021, 30(7): 76102-076102.

W J Jiang(江文杰) and M Z Li(李茂枝). Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids[J]. Chin. Phys. B, 2021, 30(7): 76102-076102.

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Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids

Non-monotonic temperature evolution of nonlocal structure-dynamics correlation in CuZr glass-forming liquids

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