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400 Matching Results
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AFLOW-QHA3P: Robust and automated method to compute thermodynamic properties of solids
Article introducing the quasiharmonic approximation three-phonon method to calculate the thermodynamic properties of both nonmetallic and metallic compounds. This study demonstrates that QHA3P is an ideal framework for the high-throughput prediction of finite-temperature material properties, combining the accuracy of QHA with the computational efficiency of SC-QHA.
Date:
July 8, 2019
Creator:
Nath, Pinku; Usanmaz, Demet; Hicks, David; Oses, Corey; Fornari, Marco; Buongiorno Nardelli, Marco et al.
Object Type:
Article
System:
The UNT Digital Library
Revisiting surface core-level shifts for ionic compounds
Article establishing a theoretical method which is able to relate the binding energy shifts to the electronic structure of a material. In order to establish such a methodology, the CaO(100) surface to bulk core-level binding energy shifts are studied with Hartree-Fock and density-functional theory methods using both cluster and periodic slab models.
Date:
September 12, 2019
Creator:
Bagus, Paul S.; Nelin, Connie J.; Zhao, Xunhua; Levchenko, Sergey V.; Davis, Earl; Weng, Xuefei et al.
Object Type:
Article
System:
The UNT Digital Library
Universality in a one-dimensional three-body system
Article studying a heavy-heavy-light three-body system confined to one space dimension.
Date:
July 24, 2019
Creator:
Happ, Lucas; Zimmermann, Matthias; Betelu, Santiago I.; Schleich, Wolfgang P. & Efremov, Maxim A.
Object Type:
Article
System:
The UNT Digital Library
The future of legume genetic data resources: Challenges, opportunities, and priorities
This article is a commentary on the future of legume genetic data resources and summarizes the workshop held in March of 2019 by the Legume Genomic Data Working Group that addressed questions of data resources and priorities for legumes.
Date:
August 5, 2019
Creator:
Legume Genomic Data Working Group
Object Type:
Article
System:
The UNT Digital Library
Deaf Adults’ Health Literacy and Access to Health Information: Protocol for a Multicenter Mixed Methods Study
Article where the study aims to elucidate the role of information marginalization on health literacy in Deaf ASL users and to better understand the mechanisms of health literacy in this population for the purpose of identifying viable targets for future health literacy interventions.
Date:
September 10, 2019
Creator:
McKee, Michael M.; Hauser, Peter C.; Champlin, Sara; Paasche-Orlow, Michael; Wyse, Kelley; Cuculick, Jessica et al.
Object Type:
Article
System:
The UNT Digital Library
Fabric Defect Detection Using Activation Layer Embedded Convolutional Neural Network
This article develops a deep-learning algorithm for an on-loom fabric defect inspection system by combining the techniques of image pre-processing, fabric motif determination, candidate defect map generation, and convolutional neural networks (CNNs).
Date:
April 29, 2019
Creator:
Ouyang, Wenbin; Xu, Bugao; Hou, Jue & Yuan, Xiaohui
Object Type:
Article
System:
The UNT Digital Library
Does Providing a Personalized Educational Game Based on Personality Matter? A Case Study
This article presents an educational game which models learner's personality, specifically introvert/extrovert dimension, to serve as a personalized game learning environment. The findings of this study can be used by educators and game designers to adopt and develop personalized game learning environments based on learner's personality.
Date:
August 19, 2019
Creator:
Kinshuk; Tlili, Ahmed; Denden, Mouna; Essalmi, Fathi; Jemni, Mohamed; Chen, Nian-Shing et al.
Object Type:
Article
System:
The UNT Digital Library
Bayesian analysis of complex mutations in HBV, HCV, and HIV studies
This article provides a review of the Bayesian-inference-based methods applied to Hepatitis B Virus (HBV), Hepatitis C Virus (HCV), and Human Immunodeficiency Virus (HIV) studies with a focus on the detection of the viral mutations and various problems which are correlated to these mutations. The authors also provide a summary of the Bayesian methods' applications toward these viruses' studies, where several important and useful results have been discovered.
Date:
April 4, 2019
Creator:
Guo, Xuan; Liu, Bing; Feng, Shishi & Zhang, Jing
Object Type:
Article
System:
The UNT Digital Library
A Theory of Public Knowledge
This article offers a theory of public knowledge for the purposes of defining more clearly its role in information systems and classification schemas.
Date:
May 23, 2019
Creator:
Miksa, Shawne D., 1969- & McLain, Chinami
Object Type:
Article
System:
The UNT Digital Library
The Effect of Magnesium Deficiency on Neurological Disorders: A Narrative Review Article
This article critically discusses the role of Magnesium by reviewing recent literature and available data concerning the role of magnesium in neurological disorders. The authors summarize the role of Mg in neurological disorders to illustrate the symptoms caused by Mg-deficiency and the possible underlying mechanisms.
Date:
March 2019
Creator:
Xue, Wenwen; You, Jing; Su, Yingchao & Wang, Qinglu
Object Type:
Article
System:
The UNT Digital Library
Discovering fake news embedded in the opposing hashtag activism networks on Twitter: #Gunreformnow vs. #NRA
This article is a study investigating fake news included in political discourse of opposing activism hashtags, #Gunreformnow and #NRA (The National Rifle Association) and aims to lay out the process of identifying fake news in the hashtag activism network on Twitter.
Date:
October 19, 2018
Creator:
Chong, Miyoung
Object Type:
Article
System:
The UNT Digital Library
An acoustic analysis of American English liquids by adults and children: Native English speakers and native Japanese speakers of English
This article is a study investigating acoustic characteristics of American English liquids produced by native English (NE) and native Japanese (NJ) speakers reported in Aoyama, Flege, Guion, Akahane-Yamada, and Yamada [(2004). J. Phonetics 32, 233–250]. The secondary aim of the study is to compare the acoustic nature of English liquids between native speakers and Japanese L2 speakers of English. This work was presented at the 170th Meeting of the Acoustical Society of America on June 25, 2017 in Boston, MA.
Date:
June 7, 2019
Creator:
Aoyama, Katsura; Flege, James E.; Akahane-Yamada, Reiko & Yamada, Tsuneo
Object Type:
Article
System:
The UNT Digital Library
Atomic layer deposition of h-BN(0001) multilayers on Ni(111) and chemical vapor deposition of graphene on h-BN(0001)/Ni(111)
Article studying atomic layer deposition. In situ direct, epitaxial growth of multilayers of hexagonal boron nitride (h-BN) and graphene without physical transfer is of significant interest for the scalable production of graphene/h-BN heterostructures for device applications. Deposition on magnetic substrates is of particular interest for spin tunneling applications. X-ray photoelectron spectroscopy and low energy electron diffraction demonstrate epitaxial atomic-layer deposition (ALD) of multilayer h-BN(0001) on Ni(111) and subsequent deposition of azimuthally-aligned multilayer graphene on h-BN(0001)/Ni(111) by chemical vapor deposition. Boron nitride ALD was accomplished with alternating cycles of BCl₃/NH₃ at a 600 K substrate temperature, and subsequent annealing in ultrahigh vacuum. Subsequent deposition of graphene was achieved by chemical vapor deposition using ethylene (CH₂CH₂) at 1000 K.
Date:
September 17, 2019
Creator:
Kelber, Jeffry A.; Jones, Jessica; Pilli, Aparna; Lee, Veronica; Beatty, John; Beauclair, Brock et al.
Object Type:
Article
System:
The UNT Digital Library
Fundamentals of three-dimensional Yb-fiber Nd:YAG laser machining of structural bone
This article presents a study that aims to understand the fundamental aspects of the laser-bone interaction in three-dimensional laser machining of the bone through an integrated experimental-computational approach.
Date:
June 28, 2019
Creator:
Dahotre, Narendra B.; Pantawane, Mangesh V.; Robertson, William B.; Khan, Riaz J. K. & Fick, Daniel P.
Object Type:
Article
System:
The UNT Digital Library
Growth of pulsed laser deposited few-layer WS2 films
This article performs X-ray photoelectron, Raman, and diffraction studies of few-layered pulsed laser deposited WS₂ films as a function of laser fluence and frequency to understand the impact on structure and properties.
Date:
August 13, 2019
Creator:
Rathod, Urmilaben P.; Cai, Bimin; Iheomamere, Chukwudi; Nyandoto, Gilbert; Voevodin, Andrey A. & Shepherd, Nigel D.
Object Type:
Article
System:
The UNT Digital Library
Correlation consistent basis sets designed for density functional theory: Second-row (Al-Ar)
Article presenting cc-pV(n+d)Z correlation consistent basis sets of double- through quintuple-ζ quality for the atoms Al-Ar that have been modified for use with density functional theory (DFT). These basis set modifications include truncation of high-angular momentum basis functions, recontraction of the s- and p-functions, and reoptimization of basis function exponents with generalized gradient approximation and hybrid-DFT functionals. The effects of basis set truncation, recontraction, and reoptimization are shown to improve convergence behavior in atomic energies as well as dissociation energies and enthalpies of formation.
Date:
June 8, 2019
Creator:
Mahler, Andrew; Determan, John J. & Wilson, Angela K.
Object Type:
Article
System:
The UNT Digital Library
Polarization in electrostatics and circuits: Computing and visualizing surface charge distributions
Article describing an algorithm or computing the detailed surface charge distributions in equilibrium electrostatic situations and in steady-state DC circuits, and discuss the results of the computations of surface charge distributions for several systems.
Date:
December 14, 2018
Creator:
Chabay, Ruth & Sherwood, Bruce
Object Type:
Article
System:
The UNT Digital Library
Atomic layer deposition of BN as a novel capping barrier for B2O3
Article demonstrating in situ deposition of BN by sequential BCl₃/NH₃ reactions at 600 K on two different oxidized boron substrates: (a) B₂O₃ deposited using BCl₃/H₂O ALD on Si at 300 K (“B₂O₃/Si”) and (b) a boron-silicon oxide formed by sequential BCl₃/O₂ reactions at 650 K on SiO₂ followed by annealing to 1000 K (“B-Si-oxide”). The data presented demonstrates that ultrathin BN films deposited by BCl₃/NH₃ ALD are promising candidates for passivation of boron oxide used in shallow doping applications.
Date:
June 5, 2019
Creator:
Kelber, Jeffry A.; Pilli, Aparna; Jones, Jessica; Chugh, Natasha; Pasquale, Frank & LaVoie, Adrien
Object Type:
Article
System:
The UNT Digital Library
Formation and characterization of embedded Fe3Si binary structures in Si
Article studying chemical and electronic properties of ion beam synthesized Fe-Si binary structures using X-ray photoelectron spectroscopy binding energy analysis.
Date:
May 16, 2019
Creator:
Lakshantha, Wickramaarachchige J.; McDaniel, Floyd Del. (Floyd Delbert), 1942- & Rout, Bibhudutta
Object Type:
Article
System:
The UNT Digital Library
Mechanism for etching of exfoliated graphene on substrates by low-energy electron irradiation from helium plasma electron sources
Article investigating the mechanism for etching of exfoliated graphene multilayers on SiO₂ by low-energy (50 eV) electron irradiation using He plasma systems for electron sources.
Date:
February 26, 2019
Creator:
Femi-Oyetoro, John D.; Yao, Kevin; Tang, Runtian; Ecton, Philip A.; Roccapriore, Kevin M.; Mhlanga, Ashley et al.
Object Type:
Article
System:
The UNT Digital Library
First-principles study of diffusion and interactions of hydrogen with silicon, phosphorus, and sulfur impurities in nickel
Article systematically studying the effect of Si, P, and S impurities on the diffusion and binding of an H atom in a face-centered-cubic (FCC) Ni lattice using density functional theory (DFT),
Date:
March 26, 2019
Creator:
Paranjape, Priyanvada; Gopal, Priya & Srinivasan, S. G.
Object Type:
Article
System:
The UNT Digital Library
Grand canonical simulations of electrochemical interfaces in implicit solvation models
Article discussing grand canonical simulations based on density-functional theory to study the thermodynamic properties of electrochemical interfaces of metallic electrodes in aqueous environments.
Date:
August 31, 2018
Creator:
Hörmann, Nicolas; Andreussi, Oliviero & Marzari, Nicola
Object Type:
Article
System:
The UNT Digital Library
Structural analysis of a plant fatty acid amide hydrolase provides insights into the evolutionary diversity of bioactive acylethanolamides
Article reporting the three-dimensional crystal structures of the signal-terminating enzyme fatty acid amide hydrolase (FAAH) from Arabidopsis in its apo and ligand-bound forms at 2.1- and 3.2-Å resolutions, respectively.
Date:
March 20, 2019
Creator:
Aziz, Mina; Wang, Xiaoqiang; Tripathi, Ashutosh; Bankaitis, Vytas A. & Chapman, Kent Dean
Object Type:
Article
System:
The UNT Digital Library
AI Agency Risks and Their Mitigation Through Business Process Management: A Conceptual Framework
This article builds on agency theory and identify factors that increase the risk of an agency problem between a principal (a human or an organization) and an AI agent and propose a framework for AI agency problem analysis. The framework is illustrated through AI use cases and industry examples. Implications for AI governance research and practice are discussed. It was presented at the 52nd Hawaii International Conference on System Sciences.
Date:
January 8, 2019
Creator:
Sidorova, Anna & Rafiee, Dana
Object Type:
Article
System:
The UNT Digital Library