The research presented in this Honors Thesis provides development in machine learning models which predict future states of a system with unknown dynamics, based on observations of the system. Two case studies are presented for (1) a non-conservative pendulum and (2) a differential game dictating a two-car uncontrolled intersection scenario. In the paper we investigate how learning architectures can be manipulated for problem specific geometry. The result of this research provides that these problem specific models are valuable for accurate learning and predicting the dynamics of physics systems.<br/><br/>In order to properly model the physics of a real pendulum, modifications were made to a prior architecture which was sufficient in modeling an ideal pendulum. The necessary modifications to the previous network [13] were problem specific and not transferrable to all other non-conservative physics scenarios. The modified architecture successfully models real pendulum dynamics. This case study provides a basis for future research in augmenting the symplectic gradient of a Hamiltonian energy function to provide a generalized, non-conservative physics model.<br/><br/>A problem specific architecture was also utilized to create an accurate model for the two-car intersection case. The Costate Network proved to be an improvement from the previously used Value Network [17]. Note that this comparison is applied lightly due to slight implementation differences. The development of the Costate Network provides a basis for using characteristics to decompose functions and create a simplified learning problem.<br/><br/>This paper is successful in creating new opportunities to develop physics models, in which the sample cases should be used as a guide for modeling other real and pseudo physics. Although the focused models in this paper are not generalizable, it is important to note that these cases provide direction for future research.

High-entropy alloys possessing mechanical, chemical, and electrical properties that far exceed those of conventional alloys have the potential to make a significant impact on many areas of engineering. Identifying element combinations and configurations to form these alloys, however, is a difficult, time-consuming, computationally intensive task. Machine learning has revolutionized many different fields due to its ability to generalize well to different problems and produce computationally efficient, accurate predictions regarding the system of interest. In this thesis, we demonstrate the effectiveness of machine learning models applied to toy cases representative of simplified physics that are relevant to high-entropy alloy simulation. We show these models are effective at learning nonlinear dynamics for single and multi-particle cases and that more work is needed to accurately represent complex cases in which the system dynamics are chaotic. This thesis serves as a demonstration of the potential benefits of machine learning applied to high-entropy alloy simulations to generate fast, accurate predictions of nonlinear dynamics.

A novel CFD algorithm called LEAP is currently being developed by the Kasbaoui Research Group (KRG) using the Immersed Boundary Method (IBM) to describe complex geometries. To validate the algorithm, this research project focused on testing the algorithm in three dimensions by simulating a sphere placed in a moving fluid. The simulation results were compared against the experimentally derived Schiller-Naumann Correlation. Over the course of 36 trials, various spatial and temporal resolutions were tested at specific Reynolds numbers between 10 and 300. It was observed that numerical errors decreased with increasing spatial and temporal resolution. This result was expected as increased resolution should give results closer to experimental values. Having shown the accuracy and robustness of this method, KRG will continue to develop this algorithm to explore more complex geometries such as aircraft engines or human lungs.