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Mcdonald, J. D.

Publications and source records attributed to Mcdonald, J. D..

Parallel implementation of a particle simulation for modeling rarefied gas dynamic flow

When the conditions of flow are rarefied and hypersonic, a more suitable alternative to the use of the Navier-Stokes equations for developing a numerical solution is the Direct Simulation Monte Carlo method (DSMC), a method of simulation which employs a large number of particles in modeling a rarefied gas. The performance of a parallel DSMC code developed for the Intel iPSC/860 Touchstone Gamma prototype computer is studied and the scaleup is found to be very nearly over the range of 16-128 processors.

Fallavollita, M. A.↗

A collision-selection rule for a particle simulation method suited to vector computers

A theory is developed for a selection rule governing collisions in a particle simulation of rarefied gas-dynamic flows. The selection rule leads to an algorithmic form highly compatible with fine grain parallel decomposition, allowing for efficient utilization of supercomputers having vector or massively parallel single instruction multiple data architectures. A comparison of shock-wave profiles obtained using both the selection rule and Bird's direct simulation Monte Carlo (DSMC) method show excellent agreement. The equation on which the selection rule is based is shown to be directly related to the time-counter procedure in the DSMC method. The results of several example simulations of representative rarefied flows are presented, for which the number of particles used ranged from 10 to the 6th to 10 to the 7th demonstrating the greatly improved computational efficiency of the method.

Baganoff, D.↗

Classical trajectory study of internal energy distributions in unimolecular processes

Energy flow in a molecular system such as CD3Cl or CD3H representing a chemical activation experiment is studied by the method of classical trajectories. A correlation function method is used to obtain energy distributions before and after the breakup of the activated molecule. The energy distribution in the final product is found to be randomly distributed for a surface with no exit channel barrier or strong intermode couplings. Nonrandom energy distributions result when these special forces are present. Product channel barriers result in an excess of translational energy and exit channel intermode couplings result in nonrandom vibrational distributions.

Mcdonald, J. D.↗