Search Results - "Appleton, Robert J."
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Mapping microstructure to shock-induced temperature fields using deep learning
Published in npj computational materials (30-09-2023)“…The response of materials to shock loading is important to planetary science, aerospace engineering, and energetic materials. Thermally activated processes,…”
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2
Electronic and optical properties of ultrawide bandgap perovskite semiconductors via first principles calculations
Published in Applied physics letters (07-12-2020)“…Recent research in ultrawide-bandgap (UWBG) semiconductors has focused on traditional materials such as Ga2O3, AlGaN, AlN, cubic BN, and diamond; however, some…”
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3
Interpretable Performance Models for Energetic Materials using Parsimonious Neural Networks
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (15-02-2024)“…Predictive models for the performance of explosives and propellants are important for their design, optimization, and safety. Thermochemical codes can predict…”
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4
Existence of two-dimensional hole gas at the interface of Bi(Zn, Ti)O3/SrTiO3 heterostructures: An ab-initio study
Published in Computational materials science (01-04-2022)“…We present first-principles calculations for a system consisting of a varying number of layers of the ferroelectric semiconductor Bi(Zn, Ti)O3 (BZT) on top of…”
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5
How accurate is density functional theory at high pressures?
Published in Computational materials science (31-01-2025)“…[Display omitted] Density functional theory (DFT) is widely used to study the behavior of materials at high pressures, complementing challenging and often…”
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6
Existence of two-dimensional hole gas at the interface of Bi(Zn, Ti)O 3 /SrTiO 3 heterostructures: An ab-initio study
Published in Computational materials science (01-04-2022)Get full text
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7
Mapping microstructure to shock-induced temperature fields using deep learning
Published 30-03-2023“…The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated…”
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Journal Article -
8
Multi-Task Multi-Fidelity Learning of Properties for Energetic Materials
Published 21-08-2024“…Data science and artificial intelligence are playing an increasingly important role in the physical sciences. Unfortunately, in the field of energetic…”
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9
Electronic and Optical Properties of Ultrawide Bandgap Perovskite Semiconductors via First Principles Calculations
Published 03-09-2020“…Recent research in ultrawide-bandgap (UWBG) semiconductors has focused on traditional materials such as Ga2O3, AlGaN, AlN, cubic BN, and diamond; however some…”
Get full text
Journal Article