Contributions to the Non Equilibrium Molecular Dynamics (NEMD) computer simulation for transport processes in simple fluids
Abstract
Stationary transport processes far away from thermal equilibrium, which are observed in the simulation variation of the Newton and Fourier linear transport laws, are of particular interest. The results represented concern NEMD methodic questions, as well as the theoretical description of the nonlinear transport phenomena. A detailed comparison is conducted between the predictions of the Boltzmann equation and the simulation results, for determining the viscosity coefficient. An algorithm which generates heat flow in the absence of a temperature gradient is analyzed. The results of the velocity distribution function legitimate the utilization of the efficient algorithm for examining the linear energy transport. The application of continuum theoretical methods is emphasized for describing the phenomena observed in the simulation with some hundreds of particles.
 Publication:

Ph.D. Thesis
 Pub Date:
 1990
 Bibcode:
 1990PhDT........30L
 Keywords:

 Boltzmann Transport Equation;
 Computerized Simulation;
 Fluid Dynamics;
 Molecular Flow;
 Nonequilibrium Flow;
 Thermodynamic Equilibrium;
 Transport Properties;
 Fourier Law;
 Heat Transmission;
 Newton Theory;
 Nonlinearity;
 Temperature Gradients;
 Velocity Distribution;
 Fluid Mechanics and Heat Transfer