Proton Collective Quantum Tunneling Induces Anomalous Thermal Conductivity of Ice under Pressure

Wang, Yufeng1,2; Luo, Ripeng2; Chen, Jian3,4; Zhou, Xuefeng3,4; Wang, Shanmin3,4; Wu, Junqiao5,6; Kang, Feiyu1,2; Yu, Kuang1,2; Sun, Bo1,2

2024-06-26

10.1103/PhysRevLett.132.264101

PHYSICAL REVIEW LETTERS   影响因子和分区

0031-9007

1079-7114

Proton tunneling is believed to be nonlocal in ice, but its range has been shown to be limited to only a few molecules. Here, we measured the thermal conductivity of ice under pressure up to 50 GPa and found it increases with pressure until 20 GPa but decreases at higher pressures. We attribute this nonmonotonic thermal conductivity to the collective tunneling of protons at high pressures, supported by large-scale quantum molecular dynamics simulations. The collective tunneling loops span several picoseconds in time and are as large as nanometers in space, which match the phonon periods and wavelengths, leading to strong phonon scattering at high pressures. Our results show direct evidence of global quantum motion existing in high-pressure ice and provide a new perspective to understanding the coupling between phonon propagation and atomic tunneling.

SCI ; EI

英语

其他

National Natural Science Foundation of China -Israel Science Foundation Joint Scientific Research Program[52161145502] ; National Science Foundation of China[12004211] ; Shenzhen Science and Technology Program["RCYX20200714114643187","WDZC20200821100123001"] ; Tsinghua Shenzhen International Graduate School["HW2020009","QD2021008N","JC2021008"] ; National Natural Science Foundation of China[22103048] ; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division[DE-AC02-05-CH11231]

Physics

Physics, Multidisciplinary

WOS:001260820000005

AMER PHYSICAL SOC

20242716563411

Molecular dynamics ; Phonons ; Quantum theory ; Thermal conductivity

Thermodynamics:641.1 ; Physical Chemistry:801.4 ; Quantum Theory; Quantum Mechanics:931.4

PHYSICS

Web of Science

1.Tsinghua Univ, Tsinghua Shenzhen Int Grad Sch, Shenzhen 518055, Peoples R China
2.Tsinghua Univ, Tsinghua Berkeley Shenzhen Inst, Shenzhen 518055, Peoples R China
3.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
4.Southern Univ Sci & Technol, Acad Adv Interdisciplinary Studies, Shenzhen 518055, Peoples R China
5.Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA
6.Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA

Wang, Yufeng,Luo, Ripeng,Chen, Jian,et al. Proton Collective Quantum Tunneling Induces Anomalous Thermal Conductivity of Ice under Pressure[J]. PHYSICAL REVIEW LETTERS,2024,132(26).

Wang, Yufeng.,Luo, Ripeng.,Chen, Jian.,Zhou, Xuefeng.,Wang, Shanmin.,...&Sun, Bo.(2024).Proton Collective Quantum Tunneling Induces Anomalous Thermal Conductivity of Ice under Pressure.PHYSICAL REVIEW LETTERS,132(26).

Wang, Yufeng,et al."Proton Collective Quantum Tunneling Induces Anomalous Thermal Conductivity of Ice under Pressure".PHYSICAL REVIEW LETTERS 132.26(2024).