Lecture 10: Non Equilibrium MDThe results of laboratory experiments with miniature social situations are described. The effects of the reward structure on group behavior in situations in which cooperation was required for succes...
Now the non-equilibrium MD simulations are frequently used to study the gas flow characteristic at nanoscale. In the non-equilibrium MD simulations, one force which is several magnitude orders larger than the actual force was added on all gas molecules. Its very necessary to study whether such ...
Equilibrium and non-equilibrium molecular-dynamics (MD) simulations have been performed to investigate thermal-driven break-up of planar propane-hydrate interfaces in contact with liquid water over the 260-320 K range. Two types of hydrate-surface water-lattice molecular termination were adopted, at ...
一般MD模拟 stable 状态下与时间无关 (time independent)的稳态结果 Nonequilibrium Molecular Dynamics (...
Unlike classical, equilibrium information theory, information envelopes focus on the dynamics of sources and coders, using functions of time that bound the number of bits generated. In the limit the information envelopes converge to the average behavior and recover the entropy of a source, ...
1011 K s−1,1012 K s−1,1013 K s−1, and instant quench (more MD data are shown inSupplementary Fig. 3). Yellow curve is the extracted equilibrium line from MD data. To reproduce the equilibrium line through equation (7), the expectedWandμshould have the forms of...
Complex structures such as the cellular building blocks of living things are not at equilibrium in the traditional thermodynamic meaning of the term. They are stable only in the sense that they can continually feed off energy sources supplied by electromagnetic field, chemical, thermal and pressure ...
Nonequilibrium molecular dynamics (NEMD) simulations have been used to examine the structure and friction of stearic acid films adsorbed on iron surfaces with nanoscale roughness. The effect of pressure, stearic acid coverage, and level of surface roughness were investigated. The direct contact of asp...
Nonequilibrium molecular-dynamics simulations of shock waves in three-dimensional 10-million atom face-centered cubic crystals with cross-sectional dimensions of 100 by 100 unit cells show that the system slips along all of the available {111} slip planes, in different places along the nonplanar ...
The thermophysical properties of thermal equilibrium and non-equilibrium nitrogen plasmas at high temperatures are presented in this paper. The cut-off of partition functions due to the lowering of the species ionization potential and contributions corresponding to the different electronic cores have been...