Theoretical study of three-body correlations in atomic fluids
A theoretical study of triplet correlations in simple classical fluids has been made from two distinct approaches. In one approach the first order terms in the h-bond expansion for triplet correlations as given by Abe is accurately evauluated numerically for the Lennard-Jones fluid using a technique developed by Barker and Monoghan. Results are otain,ed for a range of fluid densities and comparisons are made to the accurate data obtained through Monte Carlo computer simulations by Raveche, Mountain, and Streett. These comparisons indicate that the first order term is inadequate near and beyond the trip point of the system. In the other approach the description of triplet correlations is discussed in terms of fitting computer generated data to a truncated expansion in orthonormal functions. A novel set of functions that are orthonormal over a finite triangular domain is introduced. The expansion method is illustrated with an application to the rigid sphere model. This second approach could lead to the best method of describing triplet correlations in simple fluids.
- Research Organization:
- Clemson Univ., SC (USA)
- OSTI ID:
- 5357033
- Resource Relation:
- Other Information: Thesis (Ph. D.)
- Country of Publication:
- United States
- Language:
- English
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