Bulletin of the American Physical Society
2020 Annual Meeting of the APS Four Corners Section (Virtual)
Volume 65, Number 16
Friday–Saturday, October 23–24, 2020; Albuquerque, NM (Virtual)
Session E06: Materials IILive
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Chair: David H. Dunlap, University of New Mexico |
Friday, October 23, 2020 2:00PM - 2:12PM Live |
E06.00001: Neural Network Temperature Predictions based on the Optical Properties of Quantum Dots Emma McClure, Derek Sanchez, Jordan Bryan, Marissa Iraca, James Erikson, Charles Lewis, Troy Munro, John Colton Cadmium telluride quantum dots, as well as other types of quantum dots, have potential applications as localized temperature sensors in microfluidic devices due to the temperature-dependent qualities of their photoluminescence (PL) lifetime lengths. To take advantage of these properties, PL spectral data and time-resolved PL data of various samples were collected at a range of temperatures, and a machine learning algorithm was trained to output a temperature prediction based on the input data. Two different cadmium telluride quantum dot samples have been tested already and show promising results, with a mean absolute error (MAE) as low as 0.1 K for those emitting PL at 620 nanometers. More samples, such as perovskite quantum dots will be investigated in the future. [Preview Abstract] |
Friday, October 23, 2020 2:12PM - 2:24PM Live |
E06.00002: Thoughts on Next Generation X-ray Free-Electron Lasers Joel Williams, Sandra Biedron Facilities such as the Linac Coherent Light Source at the SLAC National Accelerator Laboratory in Menlo Park CA, the European X-ray Free Electron Laser (XFEL) in Hamburg, Germany, and the FERMI@Elettra facility at Elettra Sincrotrone Trieste in Italy are all up and running. What's next? Compact coherent light sources as well as hard x-ray lasers are being discussed. What in fact might these architectures look like, including the pulse structure and what new physics, particularly in materials science, could these devices probe and reveal? In this presentation, we explore the technical challenges in achieving both compact coherent light sources and very hard x-ray free-electron lasers. [Preview Abstract] |
Friday, October 23, 2020 2:24PM - 2:36PM Live |
E06.00003: Layer-dependent Magnetism and Non-trivial Topology of Monolayer and Bilayers ReX$_{\mathrm{3}}$ (X $=$ Br, I). Sharad Mahatara, Boris Kiefer Two-dimensional (2D) van der Waals (vdW) magnets such as transition metals (TM) halides exhibiting topological states have provided a fertile ground for spintronic and quantum computing applications. In TM halides the presence of topologically protected states depends on the delicate balance of near degenerate interactions: (1) magnetic exchange interaction, (2) interlayer vdW interactions, and (3) amplified spin-orbit coupling (SOC). In this contribution, we have computed electronic, magnetic and topological properties of 2D (mono- and bi-layers) of ReX$_{\mathrm{3}}$ (X $=$ Br, I) by DFT and self-consistent DFT-Hubbard-U including vdW interactions and SOC. We report for the first-time layer-dependent magnetism in ReX$_{\mathrm{3}}$ (X $=$ Br, I). Furthermore, our results predict that topologically protected quantum states vanish if Hubbard-U is used to improve the description of the electronic structure description of these materials. Therefore, additional biases are necessary to facilitate the formation of time-reversal broken topologically protected states with expected favorable long qubit decoherence times for performance improved quantum computers. [Preview Abstract] |
Friday, October 23, 2020 2:36PM - 2:48PM Live |
E06.00004: Rapid Throughout of an MeV Ultrafast Electron Diffraction Instrument System Mariana Fazio, S. Biedron, D. Kirby, D. Monk, M. Martínez-Ramón, S. Sosa, D. Martins, M. Papka, M. Babzien, K. Brown, M. Palmer, J. Tao, A. Hurd, J. Chen, R. Prasankumar, J. Sarrao, C. Sweeney MeV ultrafast electron diffraction is a powerful structural measurement technique for novel characterization of matter. We investigate the demonstration of realtime or near-realtime data processing enabled by data science/machine learning/artificial intelligence in conjunctions with high-performance computing to facilitate automated operation, data acquisition and processing. [Preview Abstract] |
Friday, October 23, 2020 2:48PM - 3:00PM Live |
E06.00005: Interphase Formation in Nano-Bonding of GaAs to Si in air at low T via Surface Energy Engineering, using Surface Acoustic Wave Imaging, Microscopy, XPS, and Ion Beam Analysis Aashi Gurijala, Nikhil Suresh, Amber Chow, Shaurya Khanna, Mohammed Sahal, Sukesh Ram, Timoteo Diaz, Michelle Bertram, Christian Cornejo, Wesley Peng, Thillina Balasooriya, Siddharth Jandhyala, Pranav Penmatcha, Timothy Karcher, Robert Culbertson, Karen Kavanaugh, Nicole Herbots Si and GaAs absorb different wavelengths so Integrating GaAs to Si yields efficient solar cells. Nano-Bonding [1] (NB) uses Surface Energy Engineering (SEE) to bond GaAs to Si, reduce native oxides, shift surface energies, SE, and hydro-affinity, H-A, to far-from-equilibrium [1]. Three Liquid Contact Angle Analysis measures SE$^{\mathrm{\thinspace }}$to $+$/-1 mJ/m$^{\mathrm{2}}$ before and after SEE, Ion Beam Analysis O coverage, and XPS chemical composition. After SEE, GaAs, initially hydrophobic in air, becomes super-hydrophilic (shl), while Si, initially hydrophilic in air, becomes hydrophobic (hb). H-A correlates with O coverage, which decreases on GaAs by a factor 2 on shl-GaAs, and As$_{\mathrm{2}}$O$_{\mathrm{5}}$: As$_{\mathrm{2}}$O$_{\mathrm{3\thinspace }}$ratio while the ratio GaAs:Ga$_{\mathrm{2}}$O$_{\mathrm{3\thinspace }}$remains 6:4. SEE reverses H-A without affecting GaAs stoichiometry. ~Surface Acoustic Wave Imaging and~ Microscopy show that GaAs successfully nano-bonds to Si. [1]~Int. US Pat. 6,613,677 (2003) 7,851,365 (2005) 9,018,077, 9,589,801 Herbots et al$. $ [Preview Abstract] |
Friday, October 23, 2020 3:00PM - 3:12PM Live |
E06.00006: Characterization of Real Permittivity Change in Thin-film Virgin Polyether Ether Ketone with Relation to Temperature Jordan Lee, Brian Wood, JR Dennison Experimentation on native Polyether Ether Ketone (PEEK) investigated the effects of ambient to cryogenic temperatures on its complex permittivity. Permittivity data were collected at frequencies between 200 Hz and 15 MHz using an impedance analyzer with a custom-designed parallel-plate geometry test fixture in high vacuum using a closed-cycle He cryostat. Multiple tests were performed on vacuum-baked thin-film PEEK samples around 540 $\mu $m thick between 296 K and 90 K at 1 K increments. The material showed an overall 0.5{\%} drop in real permittivity at frequencies \textless 1 MHz at the temperature range tested. Further analysis showed tighter temperature ranges in which permittivity change was most apparent. Similar results were found for the dissipation. Absolute calibration used a PTFE standard, with corrections made for the thermal expansion of the sample and test fixture. These studies were prompted by applications for cryogenic spacecraft antenna, as PEEK is a versatile thermoplastic polymer with wide-spread application including for spacecraft, ultrahigh vacuum compatible insulators, and high frequency antenna due to its resistance to thermal degradation, low outgassing, and low thermal and electrical conductivity. [Preview Abstract] |
Friday, October 23, 2020 3:12PM - 3:24PM |
E06.00007: Study on the Molecular Dynamics of Pain Relief Molecules Nayoon Kim, Richard Kyung In this project, the thermodynamic and stereochemical properties of several types of biochemical derivatives that can be used as a fever reducing agent were studied. We used the molecular editing software to model, optimize, and compare the resulting molecular optimization energies and activities of the molecules. This study used an open-source molecular editing program equipped with an auto-optimization feature, which determines the theoretical values of a certain structure’s atomic and chemical properties of the pharmaceutical products through the Density Functional Theory (DFT). This software allows users to build virtually any molecule and optimize its geometry according to various force field options. Optimization configuration energy was collected in order to compare each chemical compound's stability. It is observed that the less thermodynamic enthalpy needed to stabilize the compound, the more stable the compound is. Calculations show some compounds converge easily, which makes them suitable to use as biochemical compounds in fever reducing agents. [Preview Abstract] |
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