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Full-Text Articles in Engineering Science and Materials
Machine Learning For Electronic Structure Prediction, Shashank Pathrudkar
Machine Learning For Electronic Structure Prediction, Shashank Pathrudkar
Dissertations, Master's Theses and Master's Reports
Kohn-Sham density functional theory is the work horse of computational material science research. The core of Kohn-Sham density functional theory, the Kohn-Sham equations, output charge density, energy levels and wavefunctions. In principle, the electron density can be used to obtain several other properties of interest including total potential energy of the system, atomic forces, binding energies and electric constants. In this work we present machine learning models designed to bypass the Kohn-Sham equations by directly predicting electron density. Two distinct models were developed: one tailored to predict electron density for quasi one-dimensional materials under strain, while the other is applicable …
Design And Analysis Of Marangoni-Driven Robotic Surfers, Mitchel L. Timm
Design And Analysis Of Marangoni-Driven Robotic Surfers, Mitchel L. Timm
Dissertations, Master's Theses and Master's Reports
We designed and experimentally studied the dynamics of two robotic systems that surf along the water-air interface. The robots were self-propelled by means of creating and maintaining a surface tension gradient resulting from an asymmetric release of isopropyl alcohol (IPA). The imbalance in the distribution of surface tension surrounding the robots generates a propulsive force commonly referred to as Marangoni propulsion. First, we considered a single surfer, which was custom-made with novel control mechanisms that allow for both forward motion and steering to be remotely adjusted solely through the manipulation of local surface stresses. We analyzed the performance of this …