Bulletin of the American Physical Society
2021 Joint Spring Meeting of the Texas Sections of APS, AAPT and Zone 13 of the SPS
Volume 66, Number 2
Thursday–Sunday, April 8–11, 2021; Virtual
Session B03: APS: General Physics, Data Science, and Computational Physics I |
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Friday, April 9, 2021 5:00PM - 5:12PM |
B03.00001: In Situ Oceanographic and Atmospheric Observations of Hurricane Hanna in the Northwestern Gulf of Mexico Gianna Milton, Steven DiMarco Through momentum flux caused by air-sea interaction, hurricanes drive mixing processes of the upper ocean and significantly impact the physical transport of surface water mass and volume, and influence the distribution and transformation of biogeochemical material. Since 1995, the Texas Automated Buoy System (TABS) (funded by the Texas General Land Office) has provided hourly observations of oceanographic and atmospheric variables along the Texas coast for the purposes of oil spill response and mitigation. Hurricane Hanna made landfall on the lower Texas coast on July 25th, 2020. We present analyses of TABS buoy data to describe the oceanic response to the wind driving. Specific attention is on ADCP current velocity profiles from Buoy X located east of South Padre Island. The data suggest that current velocity increased above background levels in the hours before the storm’s closest approach to the buoy, to a maximum of 95.09 cm/s. Spectral analyses reveal the dominant periodicities of the current velocity oscillations are consistent with inertial wind- driving processes. [Preview Abstract] |
Friday, April 9, 2021 5:12PM - 5:24PM |
B03.00002: Electronic structure effects on the phase stability of B2 FeV Homero Reyes, Jorge Muñoz Recently we predicted, using classical molecular dynamics, that a known dynamical instability in the BCC-based B2 phase of the alloy iron-vanadium (FeV) at 0 K disappears at elevated temperature due to phonon anharmonicity. In this talk we will present density functional theory (DFT) results that elucidate the causes at the electronic structure level. First, we study the effects of pressure on a 2-atom cell of B2 FeV. The momentum-projected density of states (eDOS) is calculated and the charge in the e_g and t_2g orbitals is extracted upon compression. The band structure for both spin-up and spin-down is computed and a change is observed at the X and Γ high symmetry points upon compression. Second, we use Born-Oppenheimer molecular dynamics to investigate a 16-atom supercell of FeV and both the momentum-projected eDOS and the charge in the e_g and t_2g orbitals as a function of temperature were calculated. The value of the asphericity, defined as the ratio between the charge in the t_2g and e_g orbitals, is correlated to the mechanical stability of the bcc structure. We observe that the value of the asphericity decreases with pressure, destabilizing the B2 phase, but increases with temperature, stabilizing the B2 phase. [Preview Abstract] |
Friday, April 9, 2021 5:24PM - 5:36PM |
B03.00003: Data-Driven Techniques to Predict Formation Energy of Binary Materials Johari Dramiga In this project the goal was to develop a machine learning model to predict the thermodynamic stability of a material material given simple atom properties. Descriptors for the model were created using the Mendeleev package on data from the AFLOW materials database. The resulting model achieved approximately a .66 accuracy score using a Random Forest regression model. [Preview Abstract] |
Friday, April 9, 2021 5:36PM - 5:48PM |
B03.00004: Continuing Studies of Hydrogenic Quantum Systems Using the Feynman-Kac Path Integral Method J. M. Rejcek The Feynman-Kac path integral method is applied to the atomic hydrogen quantum system for the purpose of evaluating eigenvalues. These are computed by random walk simulations on a discrete grid. The study provides the latest simulation analysis and includes the use of symmetry that allows higher order eigenstates to be computed. The method provides exact values in the limit of infinitesimal step size and infinite time for the lowest eigenstates. PACS numbers: 02.70.Lq, 02.50.Ey, 03.65.Ge, 32.30.*, 03.65.-w, 05.30.Jp [Preview Abstract] |
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