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Filtering by: Creator Lurie-Gregg, Paho Contributor advisor sim Roundy, David

The contact value approximation to the pair distribution function for an inhomogeneous hard sphere fluid

Creator:

Lurie-Gregg, Paho

Abstract:

We construct the contact value approximation (CVA) for the pair distribution function, g(²)(r₁, r₂), for an inhomogeneous hard sphere fluid. The CVA is an average of two radial distribution functions, which each take as input the distance between the particles, |r₂ −r₁|, and the average value of the radial distribution...

Resource Type:

Undergraduate Thesis

Full Text:

function for an inhomogeneous hard sphere fluid. Paho Lurie-Gregg (Dated: October 3, 2014) We construct
Determining free energies of hard sphere fluids via Monte Carlo simulation

Creator:

Valeskea, Austin

Abstract:

Free energy is a fundamental property of a thermodynamic system, from which pressure, entropy, and other interesting properties can be derived. It is useful, then, to be able to accurately compute the free energy at various densities and temperatures in a way that can serve as the basis for further...

Resource Type:

Honors College Thesis

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Section 1.2.3) has already been developed by Paho Lurie-Gregg and Michael Perlin. We extend this code to
Optimizing Monte Carlo simulation of the square-well fluid

Creator:

Perlin, Michael A.

Abstract:

We identify and develop efficient Monte Carlo methods for determining thermodynamic properties of the square-well fluid in order to test square-well density functional theories near the critical point. Previous works have developed generic so-called histogram methods for collecting statistics on low energy system states, but little or no literature exists...

Resource Type:

Honors College Thesis