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Filtering by: Creator Eng, Kayleen S. Contributor Pommerenck, Jordan K. Degree Name Bachelor of Science (B.S.)

Multi-Grand, Multi-Canonical, Flat Histogram, Monte Carlo Simulations for the Square Well Fluid

Creator:

Trotter, Cade W.

Abstract:

Currently multi-canonical, and grand canonical Monte Carlo simulations exist, but do not always give all of the necessary information of the system. When using a 1-D (only changing in one variable) broad histogram Monte Carlo method a user would need to run a range of simulations in order to get...

Resource Type:

Undergraduate Thesis

Full Text:

the entropy from multiplying a Boltzmann factor by the log of the multiplicity: S = KBln(g) (12) [9
Simulating Fluids: Testing a New Grand Canonical Histogram Method on the Square-Well Fluid

Creator:

Vande Griend, Jacob W.

Abstract:

Monte Carlo methods are used to explore vapor-liquid phase transitions. However, current models are computationally expensive when identifying these phase transitions. Traditionally, Monte Carlo simulations are run across a range of temperatures at a fixed number of atoms/molecules. The Number Monte Carlo method (NMC), our proposed Monte Carlo method, runs...

Resource Type:

Undergraduate Thesis

Full Text:

dU = TdS − pdV + µdN, (1.8) Where U is internal energy, T is temperature, S is entropy, p is