TY - JOUR
T1 - Molecular dynamics simulation of time-irreversibility of stationary heat flux
AU - Mima, Toshiki
AU - Yasuoka, Kenji
AU - Nosé, Shuichi
N1 - Funding Information:
The authors appreciate W. Hoover for checking the draft and helpful discussion on time-reversibility. This work is supported by Grant in Aid for the 21st C.O.E. program at Keio University for “System Design: Paradigm Shift from Intelligence to Life”.
PY - 2007/1
Y1 - 2007/1
N2 - Molecular dynamics simulations are carried out to monitor heat flux directly, in both forward process and time-reversed process. Two weighted Nos-Hoover thermostats, whose temperatures are different independently, are attached to a Stillinger-Weber fcc crystal confined by reflective walls. With increasing temperature difference, phase-space collapse rate in the forward process decreased and the irreversibility of heat flux appeared earlier in time-reversed process. The irreversibility appeared earlier, with decreasing numbers of significant digits. Nevertheless, the values of phase-space collapse rate were almost same.
AB - Molecular dynamics simulations are carried out to monitor heat flux directly, in both forward process and time-reversed process. Two weighted Nos-Hoover thermostats, whose temperatures are different independently, are attached to a Stillinger-Weber fcc crystal confined by reflective walls. With increasing temperature difference, phase-space collapse rate in the forward process decreased and the irreversibility of heat flux appeared earlier in time-reversed process. The irreversibility appeared earlier, with decreasing numbers of significant digits. Nevertheless, the values of phase-space collapse rate were almost same.
KW - Chaos
KW - Heat conduction
KW - Molecular dynamics simulation
KW - Nonequilibrium state
KW - Nos-Hoover thermostat
KW - Time reversibility
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U2 - 10.1080/08927020601067565
DO - 10.1080/08927020601067565
M3 - Article
AN - SCOPUS:33947402274
SN - 0892-7022
VL - 33
SP - 109
EP - 113
JO - Molecular Simulation
JF - Molecular Simulation
IS - 1-2
ER -