Nonequilibrium Molecular Dynamics Simulations of Steady-State Heat and Mass Transport in Condensation. II. Transfer Coefficients

2001 ◽  
Vol 243 (2) ◽  
pp. 528
Author(s):  
A. Røsjorde ◽  
S. Kjelstrup ◽  
D. Bedeaux ◽  
B. Hafskjold
Keyword(s):  
Molecular Dynamics ◽  
Steady State ◽  
Mass Transport ◽  
Molecular Dynamics Simulations ◽  
Nonequilibrium Molecular Dynamics ◽  
Transfer Coefficients ◽  
Heat And Mass Transport ◽  
State Heat ◽  
Steady State Heat ◽  
Dynamics Simulations

scholarly journals Thermo-osmotic pressure and resistance to mass transport in a vapor-gap membrane

2021 ◽  
Author(s):  
Michael T. Rauter ◽  
Sondre K. Schnell ◽  
Bjørn Hafskjold ◽  
Signe Kjelstrup
Keyword(s):  
Molecular Dynamics ◽  
Mass Transport ◽  
Molecular Dynamics Simulations ◽  
Osmotic Pressure ◽  
Transfer Coefficients ◽  
Non Equilibrium Molecular Dynamics ◽  
Dynamics Simulations ◽  
Non Equilibrium

A Soret equilibrium across a vapor-gap membrane was generated and transfer coefficients were computed using non-equilibrium molecular dynamics simulations.

scholarly journals On the Lifetimes of Antisteady States

1996 ◽  
Vol 49 (1) ◽  
pp. 39 ◽  
Author(s):  
Debra J Searles ◽  
Denis J Evans
Keyword(s):  
Molecular Dynamics ◽  
Steady State ◽  
Lyapunov Exponent ◽  
Molecular Dynamics Simulations ◽  
State System ◽  
Nonequilibrium Molecular Dynamics ◽  
Trajectory Error ◽  
Dynamics Simulations ◽  
Lyapunov Instability

The influence of Lyapunov instability on the lifetimes of antisteady states is investigated using nonequilibrium molecular dynamics simulations. It is found that the lifetime is inversely proportional to the smallest Lyapunov exponent of the steady state system and proportional to the logarithm of the trajectory error per timestep.

scholarly journals Fluctuation Relations for Dissipative Systems in Constant External Magnetic Field: Theory and Molecular Dynamics Simulations

Entropy ◽  
2021 ◽  
Vol 23 (2) ◽  
pp. 146
Author(s):  
Alessandro Coretti ◽  
Lamberto Rondoni ◽  
Sara Bonella
Keyword(s):  
Magnetic Field ◽  
Molecular Dynamics ◽  
External Magnetic Field ◽  
Molecular Dynamics Simulations ◽  
Nonequilibrium Molecular Dynamics ◽  
Dissipative Systems ◽  
Common Belief ◽  
Fluctuation Relations ◽  
Dynamics Simulations ◽  
Constant External Magnetic Field

We illustrate how, contrary to common belief, transient Fluctuation Relations (FRs) for systems in constant external magnetic field hold without the inversion of the field. Building on previous work providing generalized time-reversal symmetries for systems in parallel external magnetic and electric fields, we observe that the standard proof of these important nonequilibrium properties can be fully reinstated in the presence of net dissipation. This generalizes recent results for the FRs in orthogonal fields—an interesting but less commonly investigated geometry—and enables direct comparison with existing literature. We also present for the first time a numerical demonstration of the validity of the transient FRs with nonzero magnetic field via nonequilibrium molecular dynamics simulations of a realistic model of liquid NaCl.

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