14.2k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Fermi National Accelerator LaboratoryUS2.3k papers
- University of RochesterUS2.2k papers
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- California Institute of TechnologyUS2k papers
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- Institut National de Physique Nucléaire et de Physique des ParticulesFR1.8k papers
- Tata Institute of Fundamental ResearchIN1.7k papers
- University of California, DavisUS1.7k papers
- Joint Institute for Nuclear ResearchRU1.7k papers
23 papers · 2 filters
A high-throughput structural and electrochemical study of metallic glass formation in Ni-Ti-Al
Howie Joress, Brian L. DeCost, Suchismita Sarker +7
Based on a set of machine learning predictions of glass formation in the Ni-Ti-Al system, we have undertaken a high-throughput experimental study of that system. We utilized rapid…
Twin Boundary Mediated Flexoelectricity in LaAlO
Christopher A. Mizzi, Binghao Guo, Laurence D. Marks
Flexoelectricity has garnered much attention owing to its ability to bring electromechanical functionality to non-piezoelectric materials and its nanoscale significance. In order t…
Mechanical and Vibrational Characteristics of Functionally Graded Cu-Ni Nanowire: A Molecular Dynamics Study
Mahmudul Islam, Md Shajedul Hoque Thakur, Satyajit Mojumder +2
Functionally graded material (FGM) is a class of advanced materials, consisting of two (or more) different constituents, that possesses a continuously varying composition profile.…
Phase Field Benchmark Problems for Dendritic Growth and Linear Elasticity
Andrea M. Jokisaari, Peter W. Voorhees, Jonathan E. Guyer +2
We present the second set of benchmark problems for phase field models that are being jointly developed by the Center for Hierarchical Materials Design (CHiMaD) and the National In…
Magnetization governed magnetoresistance anisotropy in topological semimetal CeBi
Yang-Yang Lyu, Fei Han, Zhi-Li Xiao +10
Magnetic topological semimetals, the latest member of topological quantum materials, are attracting extensive attention as they may lead to topologically-driven spintronics. Curren…
Analytical Models of Phonon-Point Defect Scattering
Ramya Gurunathan, Riley Hanus, Maxwell Dylla +2
Point defects exist widely in engineering materials and are known to scatter vibrational modes to reduce thermal conductivity. The Klemens description of point defect scattering is…
Direct Visualization of Electric Field induced Structural Dynamics in Monolayer Transition Metal Dichalcogenides
Akshay A. Murthy, Teodor K. Stanev, Roberto dos Reis +4
Layered transition metal dichalcogenides (TMDs) offer many attractive features for next-generation low-dimensional device geometries. Due to the practical and fabrication challenge…
Control of Ionic Mobility via Charge Size Asymmetry in Random Ionomers
Boran Ma, Trung Dac Nguyen, Monica Olvera de la Cruz
Solid polymer electrolytes are considered a promising alternative to traditional liquid electrolytes in energy storage applications because of their good mechanical properties, and…
Grain-boundary structure and segregation in Nb3Sn coatings on Nb for high-performance superconducting radiofrequency cavity applications
Jaeyel Lee, Zugang Mao, Kai He +7
We report on atomic-scale analyses of grain boundary (GB) structures and segregation in Nb3Sn coatings on Nb, prepared by the vapor-diffusion process, for superconducting radiofreq…
Cation Disorder and Lithium Insertion Mechanism of Wadsley--Roth Crystallographic Shear Phases
Can P. Koçer, Kent J. Griffith, Clare P. Grey +1
Wadsley--Roth crystallographic shear phases form a family of compounds that have attracted attention due to their excellent performance as lithium-ion battery electrodes. The compl…
Leveraging Electron-Phonon Interaction to Enhance Thermoelectric Power Factor in Graphene-Like Semimetals
Yi Xia, Junsoo Park, Vidvuds Ozoliņš +1
Electron-phonon interaction (EPI) is presumably detrimental for thermoelectric performance in semiconductors because it limits carrier mobility. Here we show that enhanced EPI with…
Orbital-flop Induced Magnetoresistance Anisotropy in Rare Earth Monopnictide CeSb
Jing Xu, Fengcheng Wu, Jin-Ke Bao +12
The charge and spin of the electrons in solids have been extensively exploited in electronic devices and in the development of spintronics. Another attribute of electrons - their o…
Assessing exchange-correlation functional performance in the chalcogenide lacunar spinels GaMQ (M = Mo, V, Nb, Ta; Q = S, Se)
Yiqun Wang, Danilo Puggioni, James M. Rondinelli
We perform systematic density functional theory (DFT) calculations to assess the performance of various exchange-correlation potentials in describing the chalcogenide GaM$…
Mode I and II Interlaminar Fracture in Laminated Composites: A Size Effect Study
Marco Salviato, Kedar Kirane, Zdeněk P. Bažant +1
This work investigates the mode I and II interlaminar fracturing behavior of laminated composites and the related size effects. Fracture tests on geometrically scaled Double Cantil…
Defect energetics of cubic hafnia from quantum Monte Carlo simulations
Raghuveer Chimata, Hyeondeok Shin, Anouar Benali +1
Cubic hafnia (HfO) is of great interest for a number of applications in electronics because of its high dielectric constant. However, common defects in such applications degrad…
An Atom-Probe Tomographic Study of the Compositional Trajectories During gamma(f.c.c.)/gamma-prime(L12) Phase-Separation in a Ni-Al-Cr-Re Superalloy
Sung-Il Baik, Zugang Mao, Qingqiang Ren +5
The compositional diffusional-trajectories for a phase separation of gamma(f.c.c.)/gamma-prime(L12) phases are studied in a quaternary Ni-10Al-8.5Cr-2Re alloy, aged at 700 deg.C fo…
Does Flexoelectricity Drive Triboelectricity?
Christopher A. Mizzi, Alex Y. W. Lin, Laurence D. Marks
The triboelectric effect, charge transfer during sliding, is well established but the thermodynamic driver is not well understood. We hypothesize here that flexoelectric potential…
Electronic Structure and Phase Stability of Yb-filled CoSb Skutterudite Thermoelectrics from First Principles
Eric B. Isaacs, Chris Wolverton
Filling the large voids in the crystal structure of the skutterudite CoSb with rattler atoms provides an avenue for both increasing carrier concentration and disrupting lat…
Hot Carrier and Surface Recombination Dynamics in Layered InSe Crystals
Chengmei Zhong, Vinod K. Sangwan, Joohoon Kang +4
Layered indium selenide (InSe) is a van der Waals solid that has emerged as a promising material for high-performance ultrathin solar cells. The optoelectronic parameters that are…
Bulk Fermi surface of the type-II Weyl semimetal candidate NbIrTe
Rico Schönemann, Yu-Che Chiu, Wenkai Zheng +5
Recently, a new group of layered transition-metal tetra-chalcogenides were proposed, via first principles calculations, to correspond to a new family of Weyl type-II semimetals wit…
Probing single unit-cell resolved electronic structure modulations in oxide superlattices with standing-wave photoemission
W. Yang, R. U. Chandrasena, M. Gu +9
Control of structural couplings at the complex-oxide interfaces is a powerful platform for creating new ultrathin layers with electronic and magnetic properties unattainable in the…
Symbolic Regression in Materials Science
Yiqun Wang, Nicholas Wagner, James M. Rondinelli
We showcase the potential of symbolic regression as an analytic method for use in materials research. First, we briefly describe the current state-of-the-art method, genetic progra…
Spontaneous non-stoichiometry and ordering of metal vacancies in degenerate insulators
Oleksandr I. Malyi, Michael T. Yeung, Kenneth R. Poeppelmeier +2
We point to a class of materials representing an exception to the Daltonian view that compounds maintain integer stoichiometry at low temperatures, because forming stoichiometry-vi…