Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2020, Vol. 31 ›› Issue (6): 53 doi: 10.1007/s41365-020-00767-w

• NUCLEAR PHYSICS AND INTERDISCIPLINARY RESEARCH •     Next Articles

Molecular rotation-caused autocorrelation behaviors of thermal noise in water

Yu-Wei Guo1,2 • Jing-Yu Qin3 • Jian-Hua Hu4 • Ji-Hua Cao5 • Zhi Zhu4 • Chun-Lei Wang6   

  1. 1 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
    2 University of Chinese Academy of Sciences, Beijing 100049, China
    3 College of Education, Shanghai Normal University, Shanghai 200234, China
    4 School of Optical-Electrical Computer Engineering, University of Shanghai for Science and Technology, Shanghai 200093, China
    5 The People’s Hospital of China Three Gorges University, Yichang, China
    6 Division of Interfacial Water, Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201210, China
  • Received:2020-02-15 Revised:2020-03-16 Accepted:2020-04-03
  • Contact: Zhi Zhu; Chun-Lei Wang E-mail:zhuzhi@usst.edu.cn; wangchunlei@sinap.ac.cn
  • Supported by:
    This work was supported by the National Key Research and Development Program of China (No. 2018YFE0205501 and 2018YFB1801500), the National Natural Science Foundation of China (No. 11904231), the Shanghai Sailing Program (No. 19YF1434100).
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Yu-Wei Guo, Jing-Yu Qin, Jian-Hua Hu, Ji-Hua Cao, Zhi Zhu, Chun-Lei Wang. Molecular rotation-caused autocorrelation behaviors of thermal noise in water.Nuclear Science and Techniques, 2020, 31(6): 53     doi: 10.1007/s41365-020-00767-w

Abstract: The finite autocorrelation time of thermal noise is crucial to unidirectional transportation on the molecular scale. Therefore, it is important to understand the cause of the intrinsic picosecond autocorrelation time of thermal noise in water. In this work, we use molecular dynamics simulations to compare the autocorrelation behaviors of the thermal noise, hydrogen bonds, and molecular rotations found in water. We found that the intrinsic picosecond autocorrelation time for thermal noise is caused by finite molecular rotation relaxation, in which hydrogen bonds play the role of a bridge. Furthermore, the simulation results show that our method of calculating the autocorrelation of thermal noise, by observing the fluctuating force on an oxygen atom of water, provides additional information about molecular rotations. Our findings may advance the understanding of the anomalous dynamic nanoscale behavior of particles, and the applications of terahertz technology in measuring the structural and dynamical information of molecules in solutions.

Key words: Thermal noise, Hydrogen bond, Rotation, Molecular dynamics simulation