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Filtering by: Degree Field Physics Degree Level Bachelor's Subject Monte Carlo method

Broad Histogram Algorithm Comparison for the Square Well Fluid

Creator:

Simpson, Tanner T.

Abstract:

Thermodynamic properties of systems are often investigated computationally. Traditionally, thermal physics simulations are limited by their very small energy ranges and slow convergence. Broad histogram algorithms are a class of Monte Carlo algorithms that can explore an entire energy (and temperature) range in one thermal physics simulation: potentially saving months...

Resource Type:

Honors College Thesis
Freezing a Softly Repulsive Fluid : Monte Carlo Methods and the Weeks-Chandler-Andersen Potential

Creator:

May, Christopher

Abstract:

The equation of state for a fluid described by the Weeks-Chandler-Andersen (WCA) potential was solved to determine at what pressures and temperatures the fluid will theoretically freeze. A Monte Carlo (MC) algorithm was used to sample a system of 256 spheres for a set of thermodynamic averages to locate and...

Resource Type:

Undergraduate Thesis
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
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