Departmental Papers (MSE)

 

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Papers from 2013

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Demonstration and Modeling of Multi-Bit Resistance Random Access Memory, Xiang Yang, Albert B. K. Chen, Byung Joon Choi, and I-Wei Chen

Papers from 2012

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Thermomechanical Stability of Ultrananocrystalline Diamond, Vivekananda P. Adiga, Sampath Suresh, Arindom Datta, John A. Carlisle, and Robert W. Carpick

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Lattice Anharmonicity in Defect-Free Pd Nanowhiskers, Lisa Y. Chen, Gunther Richter, John P. Sullivan, and Daniel S. Gianola

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The Role of Confinement on Stress-Driven Grain Boundary Motion in Nanocrystalline Aluminum Thin Films, Daniel S. Gianola, Diana Farkas, Martin Gamarra, and Mo-rigen He

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Direct Determination of the Effect of Strain on Domain Morphology in Ferroelectric Superlattices with Scanning Probe Microscopy, K. Kathan-Galipeau, P. P. Wu, Y. L. Li, L. Q. Chen, A Soukiassian, Y. Zhu, D. A. Muller, X. X. Xi, D. G. Schlom, and Dawn A. Bonnell

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Atomic and Electronic Structure of the BaTiO3(001) (√5×√5)R26.6° Surface Reconstruction, John Mark P. Martirez, Erie H. Morales, Wissam A. Saidi, Dawn A. Bonnell, and A M. Rappe

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Statistical Topology of Cellular Networks in Two and Three Dimensions, J. K. Mason, E. A. Lazar, R. D. MacPherson, and David J. Srolovitz

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Simulations and Generalized Model of the Effect of Filler Size Dispersity on Electrical Percolation in Rod Networks, Rose M. Mutiso, Michelle C. Sherrott, Ju Li, and Karen I. Winey

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First Principles Calculation of the Shift Current Photovoltaic Effect in Ferroelectrics, Steve M. Young and Andrew M. Rappe

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First-Principles Calculation of the Bulk Photovoltaic Effect in Bismuth Ferrite, Steve M. Young, Fan Zheng, and A M. Rappe

Papers from 2011

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A size-dependent nanoscale metal–insulator transition in random materials, Albert B.K. Chen, Soo Gil Kim, Yudi Wang, Wei-Shao Tung, and I-Wei Chen

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In Situ Nanomechanical Testing in Focused Ion Beam and Scanning Electron Microscopes, Daniel S. Gianola, Andreas Sedlmayr, Reiner Mönig, Cynthia A. Volkert, Ryan C. Major, Edward Cyrankowski, S.A. Syed Asif, Oden L. Warren, and Oliver Kraft

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Effect of Electric and Stress Field on Structures and Quantum Conduction of Cu Nanowires, C. He, Lin Qi, W. X. Zhang, and H. Pan

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Dynamical Behavior of Heat Conduction in Solid Argon, Hideo Kaburaki, Ju Li, Sidney Yip, and Hajime Kimizuka

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Diffusive Molecular Dynamics and its Application to Nanoindentation and Sintering, Ju Li, Sanket Sarkar, William Cox, Thomas J. Lenosky, Erik Bitzek, and Yunzhi Wang

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Lithium Fiber Growth on the Anode in a Nanowire Lithium Ion Battery During Charging, Xiau Hua Liu, Li Zhong, Li Qiang Zhang, Akihiro Kushima, Scott X. Mao, Ju Li, Zhi Zhen Ye, John P. Sullivan, and Jian Yu Huang

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Electron localization and magnetism in SrRuO3 with non-magnetic cation substitution, W. Tong, F Q. Huang, and I-Wei Chen

Papers from 2010

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Pb-free Semiconductor Ferroelectrics: A Theoretical Study of Pd-substituted Ba(Ti1-xCex)O3 Solid Solutions, Joseph W. Bennett, Ilya Grinberg, Peter K. Davies, and Andrew M. Rappe

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Double-diamond NaAl via Pressure: Understanding Structure Through Jones Zone Activation, Ji Feng, Roald Hoffmann, and Neil Ashcroft

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Geometric and Electronic Structure of Graphene Bilayer Edges, Ji Feng, Liang Qi, Jian Yu Huang, and Ju Li

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Adaptive Strain-Boost Hyperdynamics Simulations of Stress-Driven Atomic Processes, Shotaro Hara and Ju Li

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Temperature Dependence of Thermal Conductivity Enhancement in Single-walled Carbon Nanotube/polystyrene Composites, Michael B. Jakubinek, Mary Anne White, Minfang Mu, and Karen I. Winey

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Determining the Electronic Properties of Individual Nanointerfaces by Combining Intermittent AFM Imaging and Contact Spectroscopy, Ramsey A. Kraya and Dawn A. Bonnell

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Nanocheckerboard Modulations in (NaNd)(MgW)O6, Mark W. Licurse

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Superelasticity in bcc Nanowires by a Reversible Twinning Mechanism, Suzhi Li, Xiangdong Ding, Junkai Deng, Turab Lookman, Ju Li, Xiaobing Ren, Jun Sun, and Avadh Saxena

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Inverse Martensitic Transformation in Zr Nanowires, Suzhi Li, Xiangdong Ding, Ju Li, Xiaobing Ren, Jun Sun, Evan Ma, and Turab Lookman

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Extremely Low Drift of Resistance and Threshold Voltage in Amorphous Phase Change Nanowire Devices, Mukut Mitra, Yeonwoong Jung, Daniel S. Gianola, and Ritesh Agarwal

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Calculating Phase-Coherent Quantum Transport in Nanoelectronics with ab initio Quasiatomic Orbital Basis Set, Xiaofeng Qian, Ju Li, and Sidney Yip

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Elastic Membrane that Undergoes Mechanical Deformation Enhances Osteoblast Cellular Attachment and Proliferation, George K. Toworfe, Russell J. Composto, Myung H. Lee, and Paul Ducheyne

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Incorporating Polaritonic Effects in Semiconductor Nanowire Waveguide Dispersion, Lambert K. Van Vugt, Brian Piccione, and Ritesh Agarwal

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One-particle-thick, Solvent-free, Course-grained Model for Biological and Biomimetic Fluid Membranes, Hongyan Yuan, Changjin Huang, Ju Li, George Lykotrafitis, and Sulin Zhang

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Variable Nanoparticle-Cell Adhesion Strength Regulates Cellular Uptake, Hongyan Yuan, Ju Li, Gang Bao, and Sulin Zhang

Papers from 2009

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Mechanical stiffness and dissipation in ultrananocrystalline diamond microresonators, Vivekananda P. Adiga, A V. Sumant, S Suresh, C Gudeman, O Auciello, J A. Carlisle, and Robert W. Carpick

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Temperature dependence of mechanical stiffness and dissipation in ultrananocrystalline diamond, Vivekananda P. Adiga, A V. Sumant, S Suresh, C Gudeman, O Auciello, J A. Carlisle, and R W. Carpick

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Isothermal Oxidation of Ti2SC in Air, Shahram Amini, Andrew R. McGhie, and Michel W. Barsoum

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Piezoresponse Force Microscopy: A Window into Electromechanical Behavior at the Nanoscale, Dawn A. Bonnell, S V. Kalinin, A L. Kholkin, and A Gruverman

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Defect-Mediated Adsorption of Methanol and Carbon Dioxide on BaTiO3(001), J. Garra, John M. Vohs, and Dawn A. Bonnell

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Computing the Viscosity of Supercooled Liquids, Akihiro Kushima, Xi Lin, Ju Li, Jacob Eapen, John C. Mauro, Xiafeng Qian, Phong Diep, and Sidney Yip

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Computing the viscosity of supercooled liquids, Akihiro Kushima, Xi Lin, Lu Li, Jacob Eapen, John C. Mauro, Xiaofeng Qian, Phong Diep, and Sidney Yip

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A wide-band-gap p-type thermoelectric material based on quaternary chalcogenides of Cu2ZnSnQ4 (Q=S,Se), Min-Ling Liu, Fu-Qiang Huang, Li-Dong Chen, and I-Wei Chen

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Pressure-temperature phase diagram for shapes of vesicles: A coarse-grained molecular dynamics study, Ping Liu, Ju Li, and Yong-wei Zhang

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Probing Polarization and Dielectric Function of Molecules with Higher Order Harmonics in Scattering-near-field Scanning Optical Microscopy, Maxim P. Nikiforov, Susanne C. Kehr, Tae-Hong Park, Peter Milde, Ulrich Zerweck, Christian Loppacher, Lukas M. Eng, Michael J. Therien, Nader Engheta, and Dawn A. Bonnell

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Toughness Scale from First Principles, Shigenobu Ogata and Ju Li

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Self-Assembled Charged Hydrogels Control the Alignment of Filamentous Actin, Jung Hyun Hyun Park, Yujie Sun, Yale E. Goldman, and Russell J. Composto

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Rectifying junctions of tin oxide and poly(3-hexylthiophene) nanofibers fabricated via electrospinning, N J. Pinto, K V. Carrasquillo, Christopher M. Rodd, and Ritesh Agarwal

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Simulations and electrical conductivity of percolated networks of finite rods with various degrees of axial alignment, Sadie I. White, Brian A. DiDonna, Minfang Mu, Tom C. Lubensky, and Karen I. Winey

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Strong Coupling of the Fe-Spin State and the As-As Hybridization in Iron-Pnictide Superconductors from First-Principle Calculations, Taner Yildirim

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Ferroelectric Polarization Dependent Interactions at Pd-LiNbO3(0001) Interfaces, Mosha H. Zhao, Dawn A. Bonnell, and John M. Vohs

Papers from 2008

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Probing Physical Properties at the Nanoscale, Matthew J. Brukman and Dawn A. Bonnell

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Functionalization of Carbon-based Nanostructures with Light Transition-metal Atoms, Engin Durgun, Salim Çıracı, and Tanner Yildirim

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Unusually low thermal conductivity of gallium nitride nanowires, Csaba Guthy, Chang-Yong Nam, and John E. Fischer

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Hydrogenation of Mg film and Mg nanoblade array on Ti coated Si substrates, Yuping He, Yiping Zhao, Liwei Huang, Howard Wang, and Russell J. Composto

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Interaction and Concerted Diffusion of Lithium in a (5,5) Carbon Nanotube, Mahadevan Khantha, Nicolas A. Cordero, J. A. Alonso, M. Cawkwell, and Louis A. Girifalco

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Evolution of the Structure and Thermodynamic Stability of the BaTiO3(001) Surface, Alexie M. Kolpak, Dongbo Li, Rui Shao, Andrew M. Rappe, and Dawn A. Bonnell

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Thermochemical and Mechanical Stabilities of the Oxide Scale of ZrB2+SiC and Oxygen Transport Mecha, Ju Li, Thomas J. Lenosky, Clemens J. Först, and Sidney Yip

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The effect of silica nanoparticle-modified surfaces on cell morphology, cytoskeletal organization and function, Anna M. Lipski, Christopher J. Pino, Frederick R. Haselton, I-Wei Chen, and V. Prasad Shastri

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Biomedical nanoparticle carriers with combined thermal and magnetic responses, Ting-Yu Liu, Shang-Hsiu Hu, Dean-Mo Liu, San-Yuan Chen, and I-Wei Chen

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Temperature-Sensitive Nanocapsules for Controlled Drug Release Caused by Magnetically Triggered Structural Disruption, Ting-Yu Liu, Kun-Ho Liu, Dean-Mo Liu, San-Yuan Chen, and I-Wei Chen

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Cellular Structures of Carbon Nanotubes in a Polymer Matrix Improve Properties Relative to Composites with Dispersed Nanotubes, Minfang Mu, Amanda M. Walker, John M. Torkelson, and Karen I. Winey

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Self-branching in GaN Nanowires Induced by a Novel Vapor-Liquid-Solid Mechanism, Chang-Yong Nam, Douglas Tham, and John E. Fischer

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High-resolution characterization of defects in oxide thin films, Maxim N. Nikiforov, Matthew J. Brukman, and Dawn A. Bonnell

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Hydrostatic compression and high-pressure elastic constants of coesite silica, Shigenobu Ogata, Hajime Kimizuka, and Ju Li

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Quasiatomic orbitals for ab initio tight-binding analysis, Xiaofeng Qian, Ju Li, Liang Qi, Cai-Zhuang Wang, Tzu-Liang Chan, Yong-Xin Yao, Kai-Ming Ho, and Sidney Yip

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Near Neutrality of an Oxygen Molecule Adsorbed on a Pt(111) Surface, Liang Qi, Xiaofeng Qiang, and Ju Li

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Plastic flow and failure resistance of metallic glass: Insight from in situ compression of nanopillars, Z. W. Shan, Ju Li, Y. Q. Cheng, A. M. Minor, S. A. Syed Asif, O. L. Warren, and E. Ma

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Real-Time TEM Imaging of the Formation of Crystalline Nanoscale Gaps, Douglas R. Strachan, Danvers E. Johnston, Beth S. Guitton, Sujit S. Datta, Peter K. Davies, Dawn A. Bonnell, and Alan T. Johnson

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Sintering Metal Nanoparticle Films, Howard Wang, Liwei Huang, Zhiyong Xu, Congkang Xu, Russell J. Composto, and Zhihao Yang

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Control of strain relaxation in tensile and compressive oxide thin films, Yudi Wang, Soo Gil Kim, and I-Wei Chen

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Dispersion of polymer-grafted magnetic nanoparticles in homopolymers and block copolymers, Chen Xu, Kohji Ohno, Vincent Ladmiral, and Russell J. Composto

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Origin of the Exceptional Negative Thermal Expansion in Metal-Organic Framework-5 Zn4O(1,4-benzenedicarboxylate)3, Wei Zhou, Hui Wu, Tanner Yildirim, Jeffrey R. Simpson, and Angela R. Hight Walker

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Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation, Ting Zhu, Ju Li, Amit Samanta, Austin Leach, and Ken Gall

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Two-dimensional photonic crystals with anisotropic unit cells imprinted from poly(dimethylsiloxane) membranes under elastic deformation, Xuelian Zhu, Ying Zhang, Dinesh Chandra, Shih-Chieh Cheng, James M. Kikkawa, and Shu Yang

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Bulk dense fine-grain (1-x)BiScO3–xPbTiO3 ceramics with high piezoelectric coefficient, Tingting Zou, Xiaohui Wang, Han Wang, Caifu Zhong, Longtu Li, and I-Wei Chen

Papers from 2007

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Intrinsic Lifetime of Polyethylene Pipelines, Norman Brown

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Slow Crack Growth-Notches-Pressurized Polyethylene Pipes, Norman Brown

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Controlling the In Vitro Release Profiles for a System of Haloperidol-Loaded PLGA, Avinash Budhian, Steven J. Siegel, and Karen I. Winey

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Systematic study of contact annealing: Ambipolar silicon nanowire transistor with improved performance, Kumhyo Byon, Douglas Tham, John E. Fischer, and Alan T. Johnson

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Strain responsive concave and convex microlens arrays, Dinesh Chandra, Shu Yang, and Pei-Chun Lin

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Relationship between Local Structure and Relaxor Behavior in Perovskite Oxides, Ilya Grinberg, Pavol Juhás, Peter K. Davies, and Andrew M. Rappe

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Structure and Polarization in the High Tc Ferroelectric Bi(Zn,Ti)O3-PbTiO3 Solid Solutions, Ilya Grinberg, Matthew R. Suchomel, Wotjek Dmowski, Sara E. Mason, Hui Wu, Peter K. Davies, and Andrew M. Rappe

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Tuning the resonant frequency of single-walled carbon nanotube bundle oscillators through electron-beam-induced cross-link formations, Popat Jaroenapibal, David E. Luzzi, and Stephane Evoy

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Relationship Between Dispersion Metric and Properties of PMMA/SWNT Nanocomposites, Takashi Kashiwagi, Jeffrey Fagan, Jack F. Douglas, Kazuya Yamamoto, Alan N. Heckert, Stefan D. Leigh, Jan Obrzut, Fangming Du, Sheng Lin-Gibson, Minfang Mu, Karen I. Winey, and Reto Haggenmueller

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Adhesion of MC3T3-E1 cells to RGD peptides of different flanking residues: Detachment strength and correlation with long-term cellular function, Mark H. Lee, Christopher S. Adams, David Boettiger, William F. DeGrado, Irving M. Shapiro, Russell J. Composto, and Paul Ducheyne

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Spontaneous Formation of One-dimensions Ripples in Transit to Highly Ordered Two-dimensional Herringbone Structures Through Sequential and Unequal Biaxial Mechanical Stretching, Pei-Chun Lin and Shu Yang

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Nanoscale Engineering for Biomaterial Surfaces, Anna Marie Lipski, Claude Jaquiery, Hoon Choi, Daniel Eberli, Molly Stevens, Ivan Martin, I-Wei Chen, and V. Prasad Shastri

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A promising p-type transparent conducting material: Layered oxysulfide, Min-Ling Liu, Li-Bin Wu, Qiang Chen, Li-Dong Chen, and I-Wei Chen

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Pharmacokinetic and behavioral characterization of a longterm antipsychotic delivery system in rodents and rabbits, Kayla L. Metzger, Jody M. Shoemaker, Jonathan B. Kahn, Christina R. Maxwell, Yuling Liang, Jan Tokarczyk, Stephen J. Kanes, Meredith Hans, Anthony M. Lowman, Nily Dan, Karen I. Winey, Neal R. Swerdlow, and Steven J. Siegel

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Triply periodic bicontinuous structures as templates for photonic crystals: a pinch-off problem, Jun Hyuk Moon, Yongan Xu, Yaping Dan, Seung-Man Yang, Alan T. Johnson, and Shu Yang

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Bond-order potential for simulations of extended defects in tungsten, M. Mrovec, Roman Gröger, A. G. Bailey, D. Nguyen-Manh, C. Elsässer, and Vaclav Vitek

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Atomic structure and charge-density waves of blue bronze K0.3MoO3 (20[overline 1]) by variable-temperature scanning tunneling microscopy, Maxim P. Nikiforov, Abdel Isakovic, and Dawn A. Bonnell

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RGDS peptides immobilized on titanium alloy stimulate bone cell attachment, differentiation and confer resistance to apoptosis, Antonino G. Secchi, V Grigoriou, Irving M. Shapiro, E. A. Cavalcanti-Adam, Russell J. Composto, Paul Ducheyne, and Christopher S. Adams

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Nucleation and growth mechanism of ferroelectric domain-wall motion, Young-Han Shin, Ilya Grinberg, I-Wei Chen, and Andrew M. Rappe

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Explanation of the discrepancy between the measured and atomistically calculated yield stresses in body-centered cubic metals, Vaclav Vitek and Roman Groger

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Electronic, dynamical, and thermal properties of ultra-incompressible superhard rhenium diboride: A combined first-principles and neutron scattering study, Wei Zhou, Hui Wu, and Taner Yildirim

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Hydrogen Absorption Properties of Metal-Ethylene Complexes, Wei Zhou, Taner Yildirim, Engin Durgun, and Salim Ciraci

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Distortion of 3D SU8 Photonic Structures Fabricated by Four-beam Holographic Lithography with Umbrella Configuration, Xuelian Zhu, Shu Yang, and Yongan Xu

Papers from 2006

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Construction, assessment, and application of a bond-order potential for iridium, Marc J. Cawkwell, Duc Nguyen-Manh, David G. Pettifor, and Vaclav Vitek

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Titanium Carbide Derived Nanoporous Carbon for Energy-Related Applications, Ranjan Dash, John Chmiola, Gleb Yushin, Yury Gogotsi, Giovanna Laudisio, Jonathan Singer, John E. Fischer, and Sergei Kucheyev

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An infiltration method for preparing single-wall nanotube/epoxy composites with improved thermal conductivity, Fangming Du, Csaba Guthy, Takashi Kashiwagi, John E. Fischer, and Karen I. Winey

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Transition-Metal-Ethylene Complexes as High-Capacity Hydrogen-Storage Media, Engin Durgun, Salim Ciraci, Wei Zhou, and Taner Yildirim