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Alan J. H. McGaughey
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Journal Articles

Machine learning for thermal transport

Ruiqiang Guo, Bing-Yang Cao, Tengfei Luo, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 136, 160401 (2024)
https://doi.org/10.1063/5.0237818
Published: October 2024
View articletitled, Machine learning for thermal transport
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Journal Articles

Impact of static disorder and dynamic disorder on the thermal conductivity of sodium superoxide (NaO2)

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Hariharan Ramasubramanian, Cheng Shao, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 136, 085104 (2024)
https://doi.org/10.1063/5.0219222
Published: August 2024
View articletitled, Impact of static disorder and dynamic disorder on the thermal conductivity of sodium superoxide (NaO2)
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Journal Articles

Reduced thermal resistance of amorphous Al2O3 thin films on β-Ga2O3 and amorphous SiO2 substrates via rapid thermal annealing

Henry T. Aller, Alan J. H. McGaughey, Jonathan A. Malen
Journal: Applied Physics Letters
Appl. Phys. Lett. 123, 132202 (2023)
https://doi.org/10.1063/5.0165954
Published: September 2023
View articletitled, Reduced thermal resistance of amorphous Al2O3 thin films on β-Ga2O3 and amorphous SiO2 substrates via rapid thermal annealing
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Journal Articles

Erratum: “Simulations of heat transport in single-molecule junctions: Investigations of the thermal diode effect” [J. Chem. Phys. 157, 174105 (2022)]

Jonathan J. Wang, Jie Gong, Alan J. H. McGaughey, Dvira Segal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 119901 (2023)
https://doi.org/10.1063/5.0173555
Published: September 2023
View articletitled, Erratum: “Simulations of heat transport in single-molecule junctions: Investigations of the thermal diode effect” [J. Chem. Phys. 157, 174105 (2022)]
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Journal Articles

Pair distribution function analysis for oxide defect identification through feature extraction and supervised learning

Shuyan Zhang, Jie Gong, Sharon Chu, Daniel Z. Xiao, B. Reeja-Jayan, Alan J. H. McGaughey
Journal: APL Machine Learning
APL Mach. Learn. 1, 026115 (2023)
https://doi.org/10.1063/5.0130681
Published: June 2023
View articletitled, Pair distribution function analysis for oxide defect identification through feature extraction and supervised learning
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Includes: Supplementary data
Journal Articles

Simulations of heat transport in single-molecule junctions: Investigations of the thermal diode effect

Jonathan J. Wang, Jie Gong, Alan J. H. McGaughey, Dvira Segal
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 174105 (2022)
https://doi.org/10.1063/5.0125714
Published: November 2022
View articletitled, Simulations of heat transport in single-molecule junctions: Investigations of the thermal diode effect
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Journal Articles

Reducing the uncertainty caused by the laser spot radius in frequency-domain thermoreflectance measurements of thermal properties

Xiaoman Wang, Minyoung Jeong, Alan J. H. McGaughey, Jonathan A. Malen
Journal: Review of Scientific Instruments
Rev. Sci. Instrum. 93, 023001 (2022)
https://doi.org/10.1063/5.0080119
Published: February 2022
View articletitled, Reducing the uncertainty caused by the laser spot radius in frequency-domain thermoreflectance measurements of thermal properties
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Journal Articles

Assessing the impact of disjoining pressure on thin-film evaporation with atomistic simulation and kinetic theory

Xiaoman Wang, Yang Li, Jonathan A. Malen, Alan J. H. McGaughey
Journal: Applied Physics Letters
Appl. Phys. Lett. 116, 213701 (2020)
https://doi.org/10.1063/5.0010467
Published: May 2020
View articletitled, Assessing the impact of disjoining pressure on thin-film evaporation with atomistic simulation and kinetic theory
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Includes: Supplementary data
Journal Articles

Mapping phonon modes from reduced-dimensional to bulk systems

Hyun-Young Kim, Kevin D. Parrish, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 126, 144302 (2019)
https://doi.org/10.1063/1.5119141
Published: October 2019
View articletitled, Mapping phonon modes from reduced-dimensional to bulk systems
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Journal Articles

Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation

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Alan J. H. McGaughey, Ankit Jain, Hyun-Young Kim, Bo Fu (傅博)
Journal: Journal of Applied Physics
J. Appl. Phys. 125, 011101 (2019)
https://doi.org/10.1063/1.5064602
Published: January 2019
View articletitled, Phonon properties and thermal conductivity from first principles, lattice dynamics, and the Boltzmann transport equation
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Includes: Supplementary data
Journal Articles

Phonon-boundary scattering in nanoporous silicon films: Comparison of Monte Carlo techniques

Kevin D. Parrish, Justin R. Abel, Ankit Jain, Jonathan A. Malen, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 122, 125101 (2017)
https://doi.org/10.1063/1.4993601
Published: September 2017
View articletitled, Phonon-boundary scattering in nanoporous silicon films: Comparison of Monte Carlo techniques
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Journal Articles

Thermal conductance of graphene/hexagonal boron nitride heterostructures

Simon Lu, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 121, 115103 (2017)
https://doi.org/10.1063/1.4978362
Published: March 2017
View articletitled, Thermal conductance of graphene/hexagonal boron nitride heterostructures
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Journal Articles

Morse potential-based model for contacting composite rough surfaces: Application to self-assembled monolayer junctions

Jonatan A. Sierra-Suarez, Shubhaditya Majumdar, Alan J. H. McGaughey, Jonathan A. Malen, C. Fred Higgs, III
Journal: Journal of Applied Physics
J. Appl. Phys. 119, 145306 (2016)
https://doi.org/10.1063/1.4945759
Published: April 2016
View articletitled, Morse potential-based model for contacting composite rough surfaces: Application to self-assembled monolayer junctions
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Includes: Supplementary data
Journal Articles

Energy barriers for dipole moment flipping in PVDF-related ferroelectric polymers

Ying-Ju Yu, Alan J. H. McGaughey
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 014901 (2016)
https://doi.org/10.1063/1.4939152
Published: January 2016
View articletitled, Energy barriers for dipole moment flipping in PVDF-related ferroelectric polymers
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Journal Articles

Molecular simulations and lattice dynamics determination of Stillinger-Weber GaN thermal conductivity

Zhi Liang, Ankit Jain, Alan J. H. McGaughey, Pawel Keblinski
Journal: Journal of Applied Physics
J. Appl. Phys. 118, 125104 (2015)
https://doi.org/10.1063/1.4931673
Published: September 2015
View articletitled, Molecular simulations and lattice dynamics determination of Stillinger-Weber GaN thermal conductivity
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Journal Articles

Thermal conductance of superlattice junctions

Simon Lu, Alan J. H. McGaughey
Journal: AIP Advances
AIP Advances 5, 053205 (2015)
https://doi.org/10.1063/1.4918591
Published: April 2015
View articletitled, Thermal conductance of superlattice junctions
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Journal Articles

Thermal conductance of the junction between single-walled carbon nanotubes

Lin Hu, Alan J. H. McGaughey
Journal: Applied Physics Letters
Appl. Phys. Lett. 105, 193104 (2014)
https://doi.org/10.1063/1.4902074
Published: November 2014
View articletitled, Thermal conductance of the junction between single-walled carbon nanotubes
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Includes: Supplementary data
Journal Articles

Thermal conductivity of compound semiconductors: Interplay of mass density and acoustic-optical phonon frequency gap

Ankit Jain, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 116, 073503 (2014)
https://doi.org/10.1063/1.4893185
Published: August 2014
View articletitled, Thermal conductivity of compound semiconductors: Interplay of mass density and acoustic-optical phonon frequency gap
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Journal Articles

Electrocaloric characterization of a poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) terpolymer by infrared imaging

Dongzhi Guo, Jinsheng Gao, Ying-Ju Yu, Suresh Santhanam, Gary K. Fedder, Alan J. H. McGaughey, S. C. Yao
Journal: Applied Physics Letters
Appl. Phys. Lett. 105, 031906 (2014)
https://doi.org/10.1063/1.4890676
Published: July 2014
View articletitled, Electrocaloric characterization of a poly(vinylidene fluoride-trifluoroethylene-chlorofluoroethylene) terpolymer by infrared imaging
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Includes: Supplementary data
Journal Articles

Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation

Jason M. Larkin, Alan J. H. McGaughey
Journal: Journal of Applied Physics
J. Appl. Phys. 114, 023507 (2013)
https://doi.org/10.1063/1.4812737
Published: July 2013
View articletitled, Predicting alloy vibrational mode properties using lattice dynamics calculations, molecular dynamics simulations, and the virtual crystal approximation
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