Phonon wave-packet simulations of Ar/Kr interfaces for thermal rectification

被引:22
|
作者
Roberts, N. A. [1 ]
Walker, D. G. [1 ]
机构
[1] Vanderbilt Univ, Dept Mech Engn, Nashville, TN 37235 USA
关键词
MOLECULAR-DYNAMICS; DISPERSION; RECTIFIER; KRYPTON; ARGON; MODEL;
D O I
10.1063/1.3517159
中图分类号
O59 [应用物理学];
学科分类号
摘要
The frequency and direction dependence of transmission coefficients at interfaces was investigated theoretically. The interfaces are formed by having two Lennard-Jones materials differing in mass and interatomic potential equally divided at the center of an fcc lattice system. A single frequency wave-packet is generated at one end of the system and allowed to propagate through the system until all interactions with the interface are complete. The transmission coefficient is then calculated by comparing the energy of the packet that is transmitted with the original wave-packet. Results show a difference in transmission when the wave-packet originates from opposite sides. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3517159]
引用
收藏
页数:7
相关论文
共 38 条
  • [32] Ballistic thermal wave propagation along nanowires modeled using phonon Monte Carlo simulations
    Tang, Dao-Sheng
    Cao, Bing-Yang
    APPLIED THERMAL ENGINEERING, 2017, 117 : 609 - 616
  • [33] Thermal conductance of nanostructured interfaces from Monte Carlo simulations with ab initio-based phonon properties
    Zhao, Xinpeng
    Qian, Xin
    Li, Xiaobo
    Yang, Ronggui
    JOURNAL OF APPLIED PHYSICS, 2021, 129 (21)
  • [34] Ultrafast Spectroscopy of Fano-Like Resonance between Optical Phonon and Excitons in CdSe Quantum Dots: Dependence of Coherent Vibrational Wave-Packet Dynamics on Pump Fluence
    Nadtochenko, Victor
    Denisov, Nikolay
    Aybush, Arseniy
    Gostev, Fedor
    Shelaev, Ivan
    Titov, Andrey
    Umanskiy, Stanislav
    Cherepanov, Dmitry
    NANOMATERIALS, 2017, 7 (11):
  • [35] Quantum wave-packet dynamics of H+HLi scattering: Reaction cross section and thermal rate constant (vol 121, pg 121, 2004)
    Padmanaban, R
    Mahapatra, S
    JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (02):
  • [36] 3-DIMENSIONAL QUANTUM WAVE-PACKET STUDY OF THE AR-HCL PHOTODISSOCIATION - A COMPARISON BETWEEN TIME-DEPENDENT SELF-CONSISTENT-FIELD AND EXACT TREATMENTS
    GARCIAVELA, A
    GERBER, RB
    JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (09): : 3463 - 3473
  • [37] Kr (n=5-10,s,d,g) electronic wave packets:: Electron time-of-flight resolution and the ac-Stark shift during wave-packet preparation -: art. no. 042709
    Gilb, S
    Nestorov, V
    Leone, SR
    Keske, JC
    Nugent-Glandorf, L
    Grant, ER
    PHYSICAL REVIEW A, 2005, 71 (04):
  • [38] RESONANCES IN THE UV PHOTODISSOCIATION OF THE AR-CENTER-DOT-CENTER-DOT-CENTER-DOT-HCL VAN-DER-WAALS COMPLEX - AN EXACT QUANTUM 3D WAVE-PACKET STUDY
    SCHRODER, T
    SCHINKE, R
    BACIC, Z
    CHEMICAL PHYSICS LETTERS, 1995, 235 (3-4) : 316 - 320