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Atomic, Molecular and Optical Physics

2023

Machine learning

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Full-Text Articles in Physics

Detection And Diagnosis Of Bacterial Pathogens In Blood And Urine Using Laser-Induced Breakdown Spectroscopy, Emma J.M. Blanchette Jan 2023

Detection And Diagnosis Of Bacterial Pathogens In Blood And Urine Using Laser-Induced Breakdown Spectroscopy, Emma J.M. Blanchette

Electronic Theses and Dissertations

The aim of this thesis is to expand on and improve the existing techniques used for detecting and identifying bacterial pathogens in clinical specimens with laser-induced breakdown spectroscopy (LIBS). Specifically, the existing experimental procedures, including bacterial sample preparation and data acquisition, as well as the data analysis with chemometric algorithms were investigated. Substantial reductions in LIBS background signal were achieved by implementing rigorous cleaning steps and the introduction of the use of ultrapure water. Following this, a database of LIBS spectra was acquired from specimens of E. coli, S. aureus, E. cloacae, M. smegmatis, and P. …


Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou Jan 2023

Machine Learning Strategies For Potential Development In High-Entropy Driven Nickel-Based Superalloys, Marium Mostafiz Mou

MSU Graduate Theses

In this study, I developed Deep Learning interatomic potentials to model a multi-phase and multi-component system of Ni-based Superalloys. The system has up to three major phase constituents, namely Gamma, Gamma Prime, and Transition-metal rich Carbide. I utilized invariant scalar-based and/or equivariant, tensor-based neural network (NN) approach as implemented in DEEPMD, NEQUIP/ALLEGRO codes, respectively, and Moment Tensor Potential (MTP). For the training and validation sets, I employed the ab-initio molecular dynamics (AIMD) trajectory results and ground state DFT calculations, including the energy, force, and virial database from highly diverse compositions, temperatures, and pressures following a “High Entropy Strategy.” The Deep …