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Submissions from 2014

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Heat capacity jump at Tc and pressure derivatives of superconducting transition temperature in the Ba1−xNaxFe2As2 (0.1≤x≤0.9) series, Sergey L. Bud'ko, Duck Young Chung, Daniel Bugaris, Helmut Claus, Mercouri G. Kanatzdis, and Paul C. Canfield

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Development of MnBi permanent magnet: Neutron diffraction of MnBi powder, J. Cui, J. P. Choi, G. Li, E. Polikarpov, J. Darsell, Matthew J. Kramer, Nikolai A. Zarkevich, Linlin Wang, Duane D. Johnson, M. Marinescu, Q. Z. Huang, N. V. Vuong, and J. Ping Liu

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Thermal stability of MnBi magnetic materials, J. Cui, J. P. Choi, G. Li, E. Polikarpov, J. Darsell, N. Overman, M. Olszta, D. Schreiber, M. Bowden, T. Droubay, Matthew J. Kramer, Nikolai A. Zarkevich, Linlin Wang, Duane D. Johnson, M. Marinescu, I. Takeuchi, Q. Z. Huang, H. Wu, H. Reeve, N. V. Vuong, and J. P. Liu

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Evolution of Griffith's phase in La0.4Bi0.6Mn1−xTixO3 perovskite oxide, Vijaylakshmi Dayal, Kumar V. Punith, Ravi L. Hadimani, and David C. Jiles

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Thermodynamics of the ferromagnetic phase transition in nearly half metallic CoS2 at high pressures, F. S. Elkin, I. P. Zibrov, A. P. Novikov, S. S. Khasanov, V. A. Sidorov, A. E. Petrova, Thomas A. Lograsso, J. D. Thompson, and S. M. Stishov

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Self-Organized Molecular Films with Long-Range Quasiperiodic Order, Vincent Fournée, Émilie Gaudry, Julian Ledieu, Marie-Cécile de Weerd, Dongmei Wu, and Thomas A. Lograsso

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Magnetocaloric effect in GdCoxAl2−x system for (0.15 ≤ x ≤ 1) compositions, H. Fu, M. Ravi Hadimani, Z. Ma, M. X. Wang, B. H. Teng, and David C. Jiles

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Suppression of electron correlations in the collapsed tetragonal phase of CaFe2As2 under ambient pressure demonstrated by As75 NMR/NQR measurements, Yuji Furukawa, B. Roy, S. Ran, Sergey L. Bud'ko, and Paul C. Canfield

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Interfacing the Ab Initio Multiple Spawning Method with Electronic Structure Methods in GAMESS: Photodecay of trans-Azomethane, Alexander Gaenko, Albert DeFusco, Sergey Aleksandrovich Varganov, Todd J. Martinez, and Mark S. Gordon

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Influence of composition and heat treatment on damping and magnetostrictive properties of Fe–18%(Ga + Al) alloys, I. S. Golovin, V. V. Palacheva, V. Yu. Zadorozhnyy, J. Zhu, H. Jiang, J. Cifre, and Thomas A. Lograsso

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Objective Comparison of Toolmarks from the Cutting Surfaces of Slip-Joint Pliers, Taylor Grieve, L. Scott Chumbley, Jim Kreiser, Max Morris, Laura Ekstrand, and Song Zhang

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Theoretical Calculation of the Melting Curve of Cu-Zr Binary Alloys, Koralagamage Gunawardana, Seth R. Wilson, Mikhail I. Mendelev, and Xueyu Song

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Growth and characterization of Pt-protected Gd5Si4 thin films, Ravi L. Hadimani, Yaroslav Mudryk, Timothy E. Prost, Vitalij K. Pecharsky, Karl A. Gschneidner Jr., and David C. Jiles

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Real-Time Ab Initio KMC Simulation of the Self-Assembly and Sintering of Bimetallic Epitaxial Nanoclusters: Au + Ag on Ag(100), Yong Han, Da-Jiang Liu, and James W. Evans

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Nonclassical “Explosive” Nucleation in Pb/Si(111) at Low Temperatures, Matthew T. Hershberger, Myron Hupalo, Patricia A. Thiel, Cai-Zhuang Wang, Kai-Ming Ho, and Michael C. Tringides

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Fermi surface reconstruction in (Ba1−xKx)Fe2As2 (0.44≤x≤1) probed by thermoelectric power measurements, Halyna Hodovanets, Yong Liu, Anton Jesche, Sheng Ran, Eun Deok Mun, Thomas A. Lograsso, Sergey L. Bud'ko, and Paul C. Canfield

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Enhancement of magnetocaloric effect in the Gd2Al phase by Co alloying, Z. Y. Huang, H. Fu, Ravi L. Hadimani, E. Agurgo Balfour, S. N. Dembele, B. H. Teng, and David C. Jiles

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Complex magnetic ordering in CeGe1.76 studied by neutron diffraction, Wageesha T. Jayasekara, W. Tian, Halyna Hodovanets, Paul C. Canfield, Andreas Kreyssig, and Alan I. Goldman

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Fermi surfaces and phase stability of Ba(Fe1−xMx)2As2 (M=Co,Ni,Cu,Zn), Suffian N. Khan, Aftab Alam, and Duane D. Johnson

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Lifshitz Transition and Chemical Instabilities in Ba1−xKxFe2As2 Superconductors, Suffian N. Khan and Duane D. Johnson

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Evolution of London penetration depth with scattering in single crystals of K1-xNaxFe2As2, H. Kim, Makariy A. Tanatar, Yong Liu, Zachary Cole Sims, Chenglin Zhang, Pengcheng Dai, Thomas A. Lograsso, and Ruslan Prozorov

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Magnetic and transport properties of i-R-Cd icosahedral quasicrystals (R=Y,Gd-Tm), Tai Kong, Sergey L. Bud'ko, Anton Jesche, John McArthur, Andreas Kreyssig, Alan I. Goldman, and Paul C. Canfield

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Dissociative adsorption of O2 on unreconstructed metal (100) surfaces: Pathways, energetics, and sticking kinetics, Da-Jiang Liu and James W. Evans

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Statistical mechanical models for dissociative adsorption of O2 on metal(100) surfaces with blocking, steering, and funneling, Da-Jiang Liu and James W. Evans

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Search for the Structure of a Sulfur-Induced Reconstruction on Cu(111), Da-Jiang Liu, Holly L. Walen, Junepyo Oh, James W. Evans, Yousoo Kim, and Patricia A. Thiel

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Crossover in the magnetic response of single-crystalline Ba1−xKxFe2As2 and Lifshitz critical point evidenced by Hall effect measurements, Yong Liu and Thomas A. Lograsso

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Comprehensive scenario for single-crystal growth and doping dependence of resistivity and anisotropic upper critical fields in(Ba1-xKx)Fe2As2 (0.22 <= x <= 1), Yong Liu, Makariy A. Tanatar, Warren E. Straszheim, Brandt Jensen, Kevin W. Dennis, R. W. McCallum, Vladimir G. Kogan, Ruslan Prozorov, and Thomas A. Lograsso

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Raman studies of nearly half-metallic ferromagnetic CoS2, S. G. Lyapin, A. N. Utyuzh, A. E. Petrova, A. P. Novikov, Thomas A. Lograsso, and S. M. Stishov

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Unoccupied electronic states of icosahedral Al-Pd-Mn quasicrystals: Evidence of image potential resonance and pseudogap, M. Maniraj, Abhishek Rai, S. R. Barman, M. Krajčí, Deborah L. Schlagel, Thomas A. Lograsso, and K. Horn

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Structural and magnetic properties of Ti4+/Co2+ co-substituted cobalt ferrite, Cajetan Ikenna Nlebedim, Kevin W. Dennis, R. William McCallum, and David C. Jiles

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Dependence of the magnetostrictive properties of cobalt ferrite on the initial powder particle size distribution, Cajetan Ikenna Nlebedim and David C. Jiles

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Temperature dependence of magnetic properties of heat treated cobalt ferrite, Cajetan Ikenna Nlebedim, Y. Melikhov, and David C. Jiles

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Vapor-Phase Oxidation of Benzyl Alcohol Using Manganese Oxide Octahedral Molecular Sieves (OMS-2), Naftali N. Opembe, Curtis Guild, Cecil King'ondu, Nicholas C. Nelson, Igor I. Slowing, and Steven L. Suib

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Effect of Electron Irradiation on Superconductivity in Single Crystals of Ba(Fe1−xRux)2As2 (x=0.24), Ruslan Prozorov, M. Kończykowski, Makariy A. Tanatar, Alexander N. Thaler, Sergey L. Bud'ko, Paul C. Canfield, V. Mishra, and P. J. Hirschfeld

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Combined effects of transition metal (Ni and Rh) substitution and annealing/quenching on the physical properties of CaFe2As2, Sheng Ran, Sergey L. Bud'ko, Warren E. Straszheim, and Paul C. Canfield

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H2 Desorption from MgH2 Surfaces with Steps and Catalyst-Dopants, J. M. Reich, Lin-Lin Wang, and Duane D. Johnson

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MgAuGa and MgAu2Ga: first representatives of the Mg-Au-Ga system, Volodymyr Smetana, John D. Corbett, and Gordon J. Miller

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Upper critical field of KFe2As2 under pressure: A test for the change in the superconducting gap structure, Valentin Taufour, Neda Foroozani, Makariy A. Tanatar, Jinhyuk Lim, Udhara S. Kaluarachchi, Stella K. Kim, Yong Liu, Thomas A. Lograsso, Vladimir G. Kogan, Ruslan Prozorov, Sergey L. Bud'ko, James S. Schilling, and Paul C. Canfield

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Fragile antiferromagnetism in the heavy-fermion compound YbBiPt, Benjamin G. Ueland, Andreas Kreyssig, K. Prokeš, J. W. Lynn, L. W. Harriger, D. K. Pratt, D. K. Singh, T. W. Heitmann, S. Sauerbrei, Scott M. Saunders, E. D. Mun, Sergey L. Bud'ko, Robert J. McQueeney, Paul C. Canfield, and Alan I. Goldman

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Langevin and Fokker-Planck Analyses of Inhibited Molecular Passing Processes Controlling Transport and Reactivity in Nanoporous Materials, Chi-Jen Wang, David Ackerman, Igor I. Slowing, and James W. Evans

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Multi-Functionalization of Nanoporous Catalytic Materials to Enhance Reaction Yield: Statistical Mechanical Modeling for Conversion Reactions with Restricted Diffusive Transport, Jing Wang, Andrés Garcia, David Ackerman, Mark S. Gordon, Igor I. Slowing, Takeshi Kobayashi, Marek Pruski, and James W. Evans

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Configurational Thermodynamics of Alloyed Nanoparticles with Adsorbates, Lin-Lin Wang, Teck L. Tan, and Duane D. Johnson

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Shape-Memory Transformations of NiTi: Minimum-Energy Pathways between Austenite, Martensites, and Kinetically Limited Intermediate States, Nikolai A. Zarkevich and Duane D. Johnson

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Stable atomic structure of NiTi austenite, Nikolai A. Zarkevich and Duane D. Johnson

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Anisotropic thermal expansion in molecular solids: Theory and experiment on LiBH4, Nikolai A. Zarkevich, E. H. Majzoub, and Duane D. Johnson

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Anomalous magneto-structural behavior of MnBi explained: A path towards an improved permanent magnet, Nikolai A. Zarkevich, Linlin Wang, and Duane D. Johnson

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Magnetic excitations and anomalous spin-wave broadening in multiferroic FeV2O4, Qiang Zhang, Mehmet Ramazanoglu, Songxue Chi, Yong Liu, Thomas A. Lograsso, and David Vaknin

Submissions from 2013

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Site-preference and valency for rare-earth sites in (R-Ce)2Fe14B magnets, Aftab Alam, Mahmud Khan, R. William McCallum, and Duane D. Johnson

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Analysis of Resistant Starches in Rat Cecal Contents Using Fourier Transform Infrared Photoacoustic Spectroscopy, Timothy James Anderson, Yongfeng Ai, Roger W. Jones, Robert S. Houk, Jay-Lin Jane, Yinsheng Zhao, Diane F. Birt, and John F. McClelland

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Thermal expansion of CaFe2As2: Effect of cobalt doping and postgrowth thermal treatment, Sergey L. Bud'ko, Sheng Ran, and Paul C. Canfield

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Ab Initio Study of Molecular Interactions in Cellulose Iα, Ajitha Devarajan, Sergiy Markutsya, Monica H. Lamm, Xiaolin Cheng, Jeremy C. Smith, John Ysrael Baluyut, Yana Kholod, Mark S. Gordon, and Theresa Lynn Windus

{Mo24Fe12} Macrocycles: Anion Templation with Large Polyoxometalate Guests, Xikui Fang, Laura Hansen, Fadi Haso, Panchao Yin, Abhishek Pandey, Larry Engelhardt, Igor I. Slowing, Tao Li, Tianbo Liu, Marshall Luban, and D. C. Johnston

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Design and Implementation of Scientific Software Components to Enable Multiscale Modeling: The Effective Fragment Potential (QM/EFP) Method, Alexander Gaenko, Theresa Lynn Windus, Masha Sosonkina, and Mark S. Gordon

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Fine structure observation in magnetostriction near the transition temperature in Gd5Si1.95Ge2.05, Ravi L. Hadimani, Y. Melikhov, and David C. Jiles

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Growth and characterisation of Gd5(SixGe1−x)4 thin film, Ravi L. Hadimani, Cajetan Ikenna Nlebedim, Y. Melikhov, and David C. Jiles

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Magnetism-dependent phonon anomaly in LaFeAsO observed via inelastic x-ray scattering, S. E. Hahn, Gregory S. Tucker, J.-Q. Yan, A. H. Said, B. M. Leu, R. William McCallum, E. E. Alp, Thomas A. Lograsso, Robert J. McQueeney, and Bruce N. Harmon

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Atomistic modeling of the directed-assembly of bimetallic Pt-Ru nanoclusters on Ru(0001)-supported monolayer graphene, Yong Han, Albert K. Engstfeld, R. Juergen Behm, and James W. Evans

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Anisotropic coarsening: One-dimensional decay of Ag islands on Ag(110), Yong Han, Selena M. Russell, Anthony R. Layson, Holly L. Walen, Chad D. Yuen, Patricia A. Thiel, and James W. Evans

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Chapter 14 – Evolutionary Algorithms Applied to Electronic-Structure Informatics: Accelerated Materials Design Using Data Discovery vs. Data Searching, Duane D. Johnson

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Analysis of Writing Inks on Paper Using Direct Analysis in Real Time Mass Spectrometry, Roger W. Jones and John Frederick McClelland

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Real-Time Sensing of Soil Nitrate Concentration in the Parts per Million Range While the Soil Is in Motion, Roger W. Jones, Samuel J. Rathke, David A. Laird, and John F. McClelland

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Solvent-Induced Reversal of Activities between Two Closely Related Heterogeneous Catalysts in the Aldol Reaction, Kapil Kandel, Stacey Marie Althaus, Chorthip Peeraphatdit, Takeshi Kobayashi, Brian G. Trewyn, Marek Pruski, and Igor I. Slowing

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Supported Hybrid Enzyme-Organocatalysts for Upgrading the Carbon Content of Alcohols, Kapil Kandel, Stacey Marie Althaus, Marek Pruski, and Igor I. Slowing

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Bifunctional Adsorbent-Catalytic Nanoparticles for the Refining of Renewable Feedstocks, Kapil Kandel, Conerd Frederickson, Erica A. Smith, Young-Jin Lee, and Igor I. Slowing

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Low-energy planar magnetic defects in BaFe2As2: Nanotwins, twins, antiphase, and domain boundaries, Suffian N. Khan, Aftab Alam, and Duane D. Johnson

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Metal-nanowall grating transparent electrodes: Achieving high optical transmittance at high incident angles with minimal diffraction, Ping Kuang, Joong Mok Park, Geyuan Liu, Zhuo Ye, Wai Y. Leung, Sumit Chaudhary, David W. Lynch, Kai-Ming Ho, and Kristen P. Constant

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Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization, Oliver Lafon, Aany S. Lilly Thankamony, Takeshi Kobayashi, Diego Carnevale, Veronika Vitzhum, Igor I. Slowing, Kapil Kandel, Hervé Vezin, Jean-Paul Amoureux, Geoffrey Bodenhausen, and Marek Pruski

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Suppression of ferromagnetism in the LaVxCr1−xGe3 system, Xiao Lin, Valentin Taufour, Sergey L. Bud'ko, and Paul C. Canfield

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Upper critical field of high-quality single crystals of KFe2As2, Yong Liu, Makariy A. Tanatar, Vladimir G. Kogan, Hyunsoo Kim, Thomas A. Lograsso, and Ruslan Prozorov

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Evaluation of Coarse-Grained Mapping Schemes for Polysaccharide Chains in Cellulose, Sergiy Markutsya, Ajitha Devarajan, John Y. Baluyut, Theresa Lynn Windus, Mark S. Gordon, and Monica H. Lamm

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A Proposed Implementation of Tarjan's Algorithm for Scheduling the Solution Sequence of Systems of Federated Models, Gabriel S. McNunn and Kenneth M. Bryden

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Sustainable agricultural residue removal for bioenergy: A spatially comprehensive US national assessment, David J. Muth Jr., Kenneth M. Bryden, and R. G. Nelson

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Structural, magnetic, and magnetoelastic properties of magnesium substituted cobalt ferrite, Cajetan Ikenna Nlebedim, Ravi L. Hadimani, Ruslan Prozorov, and David C. Jiles

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Temperature dependence of the structural, magnetic, and magnetostrictive properties of zinc-substituted cobalt ferrite, Ikenna C. Nlebedim, M. Vinitha, P. J. Praveen, D. Das, and David C. Jiles

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Two-dimensional magnetic interactions in LaFeAsO, Mehmet Ramazanoglu, J. Lamsal, Gregory S. Tucker, J.-Q. Yan, S. Calder, T. Guidi, T. Perring, R. William McCallum, Thomas A. Lograsso, Andreas Kreyssig, and Robert J. McQueeney

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Coil optimization for electromagnetic levitation using a genetic like algorithm, Zachary L. Royer, Carl Tackes, Richard A. LeSar, and Ralph E. Napolitano

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Communication: Structure, formation, and equilibration of ensembles of Ag-S complexes on an Ag surface, Selena M. Russell, Yousoo Kim, Da-Jiang Liu, James W. Evans, and Patricia A. Thiel

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Stability maps to predict anomalous ductility in B2 materials, Ruoshi Sun and Duane D. Johnson

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Multifunctional Properties of Cyanate Ester Composites with SiO2 Coated Fe3O4 Fillers, Weixing Sun, Wuzhu Sun, Michael R. Kessler, Nicola Bowler, Kevin W. Dennis, R. William McCallum, Qi Li, and Xiaoli Tan

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Real-Time Monitoring of the Mechanical Properties of a Soy Protein and Rubber Polymer during its Production Using Transient Infrared Spectroscopy, Jeffrey J. Sweterlitsch, Perminus Mungara, Roger W. Jones, Jay-lin Jane, and John Frederick McClelland

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Electrical resistivity study of CeZn11: Magnetic field and pressure phase diagram up to 5 GPa, Valentin Taufour, Halyna Hodovanets, Stella K. Kim, Sergey L. Bud'ko, and Paul C. Canfield

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Analytic formulations for one-dimensional decay of rectangular homoepitaxial islands during coarsening on anisotropic fcc (110) surfaces, Chi-Jen Wang, Yong Han, Holly L. Walen, Selena M. Russell, Patricia A. Thiel, and James W. Evans

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Controlling reactivity of nanoporous catalyst materials by tuning reaction product-pore interior interactions: Statistical mechanical modeling, Jing Wang, David M. Ackerman, Victor S.-Y. Lin, Marek Pruski, and James W. Evans

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Native defects in tetradymite Bi2(TexSe3−x) topological insulators, Linlin Wang, Mianliang Huang, Srinivasa Thimmaiah, Aftab Alam, Sergey L. Bud'ko, Adam Kaminski, Thomas A. Lograsso, Paul C. Canfield, and Duane D. Johnson

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Intermetallic NaAu2 as a Heterogeneous Catalyst for Low- Temperature CO Oxidation, Chaoxian Xiao, Linlin Wang, Raghu V. Maligal-Ganesh, Volodymyr Smetana, Holly L. Walen, Patricia A. Thiel, Gordon J. Miller, Duane D. Johnson, and Wenyu Huang

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Structure of the Clean Gd5Ge4(010) Surface, Chad D. Yuen, Gordon J. Miller, Cai-Zhuang Wang, and Patricia A. Thiel

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Magnetic structures and interplay between rare-earth Ce and Fe magnetism in single-crystal CeFeAsO, Qiang Zhang, Wei Tan, Haifeng Li, Jong-Woo Kim, Jiaqiang Yan, R. William McCallum, Thomas A. Lograsso, Jerel L. Zarestky, Sergey L. Bud’ko, Robert J. McQueeney, and David Vaknin

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Magnetoelastic coupling and charge correlation lengths in a twin domain of Ba(Fe1−xCox)2As2 (x=0.047): A high-resolution x-ray diffraction study, Qiang Zhang, Wenjie Wang, Jong-Woo Kim, Benjamin Hansen, Ni Ni, Sergey L. Bud'ko, Paul C. Canfield, Robert J. McQueeney, and David Vaknin

Submissions from 2012

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Generalized Hydrodynamic Treatment of the Interplay between Restricted Transport and Catalytic Reactions in Nanoporous Materials, David M. Ackerman, Jing Wang, and James W. Evans

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Structural properties and relative stability of (meta)stable ordered, partially ordered, and disordered Al-Li alloy phases, Aftab Alam and Duane D. Johnson

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Reply to “Comment on ‘Accurate and fast numerical solution of Poisson's equation for arbitrary, space-filling Voronoi polyhedra: Near-field corrections revisited’ ”, Aftab Alam, Brian G. Wilson, and Duane D. Johnson

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Weak Anti-localization and Quantum Oscillations of Surface States in Topological Insulator Bi2Se2Te, Lihong Bao, Liang He, Nicholas R. Meyer, Xufeng Kou, Peng Zhang, Zhi-gang Chen, Alexei V. Fedorov, Trevor M. Riedemann, Thomas A. Lograsso, Kang L. Wang, Gary Tuttle, and Faxian Xiu

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Creating nanoscale Ag patterns on the Si(111)–(√3 × √3)R30°-Ag surface via guided self-assembly, Alex Belianinov, Barış Ünal, Michael C. Tringides, and Patricia A. Thiel

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High Island Densities and Long Range Repulsive Interactions: Fe on Epitaxial Graphene, Steven Michael Binz, Myron Hupalo, Xiaojie Liu, Cai-Zhuang Wang, Wen-Cai Lu, Patricia A. Thiel, Kai-Ming Ho, E. H. Conrad, and Michael C. Tringides

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Hydrostatic and uniaxial pressure dependence of superconducting transition temperature of KFe2As2 single crystals, Sergey L. Bud'ko, Yong Liu, Thomas A. Lograsso, and Paul C. Canfield

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Structure and Dynamics of the 1-Hydroxyethyl-4-amino-1,2,4-triazolium Nitrate High-Energy Ionic Liquid System, Philip J. Carlson, Sayantan Bose, Daniel W. Armstrong, Tommy Hawkins, Mark S. Gordon, and Jacob W. Petrich

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Developments in deep brain stimulation using time dependent magnetic fields, Lawrence J. Crowther, Cajetan Ikenna Nlebedim, and David C. Jiles

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A novel approach for x-ray scattering experiments in magnetic fields utilizing trapped flux in type-II superconductors, R. K. Das, Z. Islam, J. P. C. Ruff, R. P. Sawh, R. Winstein, Paul C. Canfield, J.-W. Kim, and J. C. Lang

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Coexistence of charge-density wave and ferromagnetism in Ni2MnGa, S. W. D'Souza, Abhishek Rai, J. Nayak, M. Maniraj, R. S. Dhaka, S. R. Barman, Deborah L. Schlagel, Thomas A. Lograsso, and Aparna Chakrabarti

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X-ray diffuse scattering measurements of chemical short-range order and lattice strains in a highly magnetostrictive Fe0.813Ga0.187 alloy in an applied magnetic field, Yingzhou Du, Mianliang Huang, Thomas A. Lograsso, and Robert J. McQueeney