Date of Award
2021
Document Type
Thesis
Degree Name
Bachelors
Department
Natural Sciences
First Advisor
Ruppeiner, George
Area of Concentration
Physicas and Applied Mathematics
Abstract
Molecular Dynamics (MD) is a method of computer simulation of atoms and molecules which involves the use of Newton's equations of motion to determine trajectories of particles across small time-steps. In this thesis, the goal is to create a versatile program framework for the creation of MD simulations using the Processing programming environment and an object-oriented approach. This began with the creation of a versatile particle class meant to represent a single object in the simulation. The various ways in which particles interact were then established using conservation laws and Verlet Algorithms. To show its applicability, several sample programs using this framework were created, including of large-scale gravitational systems and of liquids experiencing a phase change from a heat increase.
Recommended Citation
Andrew, Harley, "CLASSICAL MECHANICS SIMULATIONS WITH MOLECULAR DYNAMICS" (2021). Theses & ETDs. 6026.
https://digitalcommons.ncf.edu/theses_etds/6026