Li, Ju - Department of Materials Science and Engineering, University of Pennsylvania

• Physica A 304 (2002) 1122 www.elsevier.com/locate/physa
• BASIC MOLECULAR DYNAMICS Department of Materials Science and Engineering,
• Complete set of elastic constants of -quartz at high pressure: A first-principles study Hajime Kimizuka,1,2,
• Coverage dependence and hydroperoxyl-mediated pathway of catalytic water formation on Pt ,,111... surface
• 2010 WILEY-VCH Verlag GmbH & Co. KGaA, WeinheimAdv. Funct. Mater. 2010, 20, 27092716 2709 www.afm-journal.de
• High-Efficiency Mechanical Energy Storage and Retrieval Using Interfaces in Nanowires
• IMPOSING FIELD BOUNDARY CONDITIONS IN MD SIMULATION OF FLUIDS: OPTIMAL PARTICLE CONTROLLER AND BUFFER ZONE FEEDBACK
• Molecular dynamics study on the formation of stacking fault tetrahedra and unfaulting of Frank loops in fcc metals
• Probing Transport Mechanisms in Nanofluids by Molecular Dynamics Simulations
• Hydrostatic compression and high-pressure elastic constants of coesite Hajime Kimizuka,1,a
• Near-surface lattice instability in 2D fiber and half-space S.V. Dmitriev a,b,*, T. Kitamura c
• Computing the viscosity of supercooled liquids. II. Silica and strong-fragile crossover behavior
• Lagrangian Formulation of Nodal Dynamics --Abacus Model \Lambda
• THERMAL CONDUCTIVITY OF SOLID ARGON BY CLASSICAL MOLECULAR Hideo Kaburaki, Ju Li (\Lambda) , Sidney Yip (\Lambda)
• Thermochemical and Mechanical Stabilities of the Oxide Scale of ZrB21SiC and Oxygen Transport Mechanisms
• Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction
• One-particle-thick, solvent-free, coarse-grained model for biological and biomimetic fluid membranes
• =1 1000 =1 Ernest Hall Norman Petch
• Journal of the Mechanics and Physics of Solids 52 (2004) 691724
• Variable Nanoparticle-Cell Adhesion Strength Regulates Cellular Uptake Hongyan Yuan,1
• Yield point of metallic glass Futoshi Shimizu a,b
• Nano Res (2010) 3: 4350 1 In Situ Imaging of Layer-by-Layer Sublimation of Suspended
• Multiple self-localized electronic states in trans-polyacetylene
• Lithium fiber growth on the anode in a nanowire lithium ion battery during charging
• www.sciencemag.org SCIENCE VOL 330 10 DECEMBER 2010 1485 PERSPECTIVES
• Breaking atomic bonds through vibrational mode localization Sergey V. Dmitriev1,2,a
• have a much smaller size than the cooling images at the same temperatures below TK1.
• Atomistic measures of mechanical deformation and thermal transport processes
• DOI 10.1007/s10820-006-9008-y Journal of Computer-Aided Materials Design (2006) 13:135159 Springer 2006
• Computer Modeling Study of the Effect of Hydration on the Stability of a Silica
• Deformation and Fracture of a SiO2 Nanorod , SIDNEY YIPa,
• Response to ``Comment on `Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures''' J. Chem. Phys. 120, 9427 ,,2004...
• Author's personal copy Modeling displacivediffusional coupled dislocation shearing of
• IOP PUBLISHING MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING Modelling Simul. Mater. Sci. Eng. 18 (2010) 085008 (13pp) doi:10.1088/0965-0393/18/8/085008
• | English 20110115 2010-12-18
• Plastic bending and shape-memory effect of double-wall carbon nanotubes Hideki Mori,1 Shigenobu Ogata,1 Ju Li,2 Seiji Akita,3 and Yoshikazu Nakayama4,
• Energetics of plastic bending of carbon nanotubes Hideki Mori,1 Shigenobu Ogata,2,3,4 Ju Li,5 Seiji Akita,1 and Yoshikazu Nakayama1,4,
• Energy landscape of deformation twinning in bcc and fcc metals Shigenobu Ogata,1,3,4,5
• Europhys. Lett., 68 (3), pp. 405411 (2004) DOI: 10.1209/epl/i2004-10201-y
• Materials Science and Engineering A365 (2004) 2530 Elastic criterion for dislocation nucleation
• Dislocation Core Effects on Mobility , Vasily V. Bulatov1
• Atomistic characterization of three-dimensional lattice trapping barriers
• Department of Mechanical Engineering, Massachusetts Institute of Technology,
• Atomistic Study of Dislocation Loop Emission from a Crack Tip and Sidney Yip3,*
• Journal of Computer-Aided Materials Design, 10: 143154, 2003. KLUWER/ESCOM
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• Tuesday Dec 13 2005 . All times are London time. Home UK Print article | Email article
• Polaron-Induced Conformation Change in Single Polypyrrole Chain: An
• Dynamical Behavior of Heat Conduction in Solid Hideo Kaburaki
• Dynamical thermal conductivity of argon crystal Hideo Kaburakia
• Proceedings of IMECE 2006 ASME International Mechanical Engineering Conference and Exhibition
• Copyright by SIAM. Unauthorized reproduction of this article is prohibited. SIAM REVIEW c 2007 Society for Industrial and Applied Mathematics
• Statistical field estimators for multiscale simulations Jacob Eapen,1
• Physics Letters A 316 (2003) 190195 www.elsevier.com/locate/pla
• DECIDING THE NATURE OF THE COARSE EQUATION THROUGH MICROSCOPIC SIMULATIONS
• Journal of Computer-Aided Materials Design, 6: 95102, 1999. KLUWER/ESCOM
• Computing the viscosity of supercooled liquids Akihiro Kushima,1
• Plastic flow and failure resistance of metallic glass: Insight from in situ compression of nanopillars
• Atomistic simulation of shear localization in CuZr bulk metallic glass Shigenobu Ogata a,b,c,
• Sci Model Simul (2008) 15:97121 DOI 10.1007/s10820-008-9109-x
• Encoding electronic structure information in potentials for multi-scale simulations: SiO2
• INSTITUTE OF PHYSICS PUBLISHING MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING Modelling Simul. Mater. Sci. Eng. 12 (2004) 10171029 PII: S0965-0393(04)80080-9
• Force-based many-body interatomic potential for ZrC Department of Materials Science and Engineering, Ohio State University, Columbus, Ohio 43210
• ATOMISTIC VISUALIZATION Department of Materials Science and Engineering,
• INSTITUTE OF PHYSICS PUBLISHING MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING Modelling Simul. Mater. Sci. Eng. 11 (2003) 173177 PII: S0965-0393(03)57873-1
• IMMERSIVE VISUALISATION OF NANO-INDENTATION SIMULATION OF CU SHUHONG XU, JU LI=
• Size-Dependent Endocytosis of Nanoparticles By Sulin Zhang,* Ju Li, George Lykotrafitis, Gang Bao, and Subra Suresh
• Inverse martensitic transformation in Zr nanowires Suzhi Li,1 Xiangdong Ding,1,2,*, Ju Li,1,3,*, Xiaobing Ren,1,4 Jun Sun,1 Evan Ma,1,5,*, and Turab Lookman2
• This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research
• This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research
• Geometric and electronic structure of graphene bilayer edges Ji Feng,1 Liang Qi,1 Jian Yu Huang,2 and Ju Li1,*
• by a prostaglandin-independent mechanism6 Gordon et al. demonstrate astrocyte-
• Materials Science and Engineering A 483484 (2008) 2532 Mechanisms of creep deformation in polycrystalline
• Superelasticity in bcc nanowires by a reversible twinning mechanism Suzhi Li,1 Xiangdong Ding,1,2,*, Junkai Deng,1,3 Turab Lookman,2,*, Ju Li,1,4 Xiaobing Ren,1,3
• Finding Critical Nucleus in Solid-State Transformations CHEN SHEN, JU LI, and YUNZHI WANG
• Calculating phase-coherent quantum transport in nanoelectronics with ab initio quasiatomic orbital basis set
• Lattice dynamical finite-element method Xiaohui Liu a
• Order-N method to calculate the local density of states Ju Li and Sidney Yip
• Commentary on Atomistic Simulations of Materials Strength and Deformation
• Mirlyn -Ann Arbor and Flint -List of Records http://mirlyn.lib.umich.edu/F/AHMVY4SC9AR7QDXY41XS96I32UA... 1 of 2 7/13/2006 10:27 AM
• Atomistic simulation of rapid compression of fractured silicon carbide
• Ideal shear strain of metals and ceramics Shigenobu Ogata,1,2,3
• Homogeneous Deformation and Instabilities Ju Li, Sidney Yip
• Summary of Collaboration at Ames Lab from June 11 to July 3, 1997
• nature materials | VOL 9 | APRIL 2010 | www.nature.com/naturematerials 295 news & views
• Transformation strain by chemical disordering in silicon carbide Department of Materials Science and Engineering, Ohio State University, Columbus, Ohio 43210
• Optimal particle controller for coupled continuum=MD fluid simulation 1
• Ab initio calculation of ideal strength and phonon instability of graphene under tension School of Applied Mathematics, Central University of Finance and Economics, Beijing 100081, China
• CONTENTS | SYMPOSIA | REGISTRATION ACTIVITIES | EXHIBIT | LODGING | AWARDS
• VOLUME 86, NUMBER 25 P H Y S I C A L R E V I E W L E T T E R S 18 JUNE 2001 Anisotropic Elastic Interactions of a Periodic Dislocation Array
• DOI: 10.1021/la1020143 12659Langmuir 2010, 26(15), 1265912666 Published on Web 07/07/2010 pubs.acs.org/Langmuir
• Controlling Bending and Twisting of Conjugated Polymers via Solitons and Sidney Yip1,*
• Atomistic simulation of the influence of pressure on dislocation nucleation in bcc Mo
• Sci Model Simul (2008) 15:8195 DOI 10.1007/s10820-008-9108-y
• Spectral Method in Thermal Conductivity Calculation Ju Li, Sidney Yip
• Conservation Formulation.
• Ab initio study of the surface properties and ideal strength of (100) silicon thin films Yoshitaka Umeno,1,2,
• IMPOSING FIELD BOUNDARY CONDITIONS IN MD SIMULATION OF FLUIDS: OPTIMAL PARTICLE CONTROLLER AND BUFFER ZONE FEEDBACK
• 410 MRS BULLETIN VOLUME 31 MAY 2006 Introduction
• Notes on Adiabatic Invariants \Lambda May 25, 1998
• Lowtemperature Crystalline Lattice Thermal Conductivity from Molecular Dynamics Simulation's View
• Acta Materialia 51 (2003) 57115742 www.actamat-journals.com
• ATOMISTIC CALCULATION OF MECHANICAL BEHAVIOR
• ``resolvent efficiently
• Near Neutrality of an Oxygen Molecule Adsorbed on a Pt(111) Surface Xiaofeng Qian,2
• The Bridge is Particle Distribution Function (x),v(x),T(x)
• Z .Journal of Nuclear Materials 255 1998 139152 Atomistic modeling of finite-temperature properties of crystalline
• Nearly Exact Solution for Coupled Continuum/MD Fluid Ju Li, Dongyi Liao and Sidney Yip (syip@mit.edu)
• MRS BULLETIN VOLUME 34 MARCH 2009 www.mrs.org/bulletin 167 Recent experiments on nanoscale materials, including nanowires, nanopillars,
• Journal of the Mechanics and Physics of solids 53 (2005) 15971623
• Microtwinning and other shearing mechanisms at intermediate temperatures in Ni-based superalloys
• Undissociated screw dislocation in Si: Glide or shuffle set? Cai-Zhuang Wanga
• January 20, 1999 1 About Fitting Targets
• Simulation: Thermodynamic
• Parallel Molecular Dynamics Simulation on Elastic Properties of Solid Argon Futoshi Shimizu, Hajime Kimizuka, Hideo Kaburaki
• Quantifying the early stages of plasticity through nanoscale experiments and simulations Krystyn J. Van Vliet,1,
• Toughness scale from first principles Shigenobu Ogata1
• Journal of the Earth Simulator, Volume 7, March 2007, 1721 First-principles Calculation on Screw Dislocation Core Properties in
• Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures
• Basics of thermal conductivity calculations sometime in 1995
• RESEARCH/RESEARCHERS MRS BULLETIN VOLUME 31 JANUARY 2006 11
• Issues about Selfconsistent TB Charge Iteration January 20, 1999
• Nbody Microscopic Heat Current Expression January 28, 1999
• Author's personal copy In situ observations of the nucleation and growth
• Modeling Shearing of gO in Ni-Based Superalloys C. Shen, J. Li, M.J. Mills, and Y. Wang
• Coupling Continuum to Molecular Dynamics Simulation: Feedback Control Formalism and Implementation
• The Second Relaxation Process for Thermal Conduction in RareGas Crystals Hideo Kaburaki
• Nonlinear Dynamics Analysis through Molecular Dynamics Simulations
• DownloadedBy:[GeorgiaTechnologyLibrary]At:16:3024May2007 Philosophical Magazine,
• Internal microstructural length scales play a fundamental role in the strength and ductility of a material. Grain boundaries in nanocrystalline structures and
• 44 46 48 50 52 54 56 Noise functions for the m=50th channel
• Atomistic mechanisms governing elastic limit and incipient
• Materials Science and Engineering A 387389 (2004) 840844 Dislocation slip or deformation twinning: confining
• Pressure-temperature phase diagram for shapes of vesicles: A coarse-grained molecular dynamics study
• Summary of Li Ju's work at Ames from July 17th to Aug 1st, 96'
• Simulation: Thermodynamic
• Nanotube membranes DOI: 10.1002/smll.200700368
• DOI 10.1007/s10820-005-0393-4 Journal of Computer-Aided Materials Design (2005) 12: 141159 Springer 2006
• Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations
• Temperature and Strain-Rate Dependence of Surface Dislocation Nucleation Ting Zhu,1,* Ju Li,2
• Computing the Viscosity of Supercooled Liquids: Markov Network Model
• Atomistic Modeling of Defect Nucleation and Reaction: Transition from Bulk to Nanostructures
• Double-inverse grain size dependence of deformation twinning in nanocrystalline Cu Jin-Yu Zhang,1 Gang Liu,1,*, Rui Hong Wang,1 Ju Li,2,*, Jun Sun,1 and Evan Ma1,3,*,
• Size effects on the onset of plastic deformation during nanoindentation of thin films and patterned lines
• Small Length Scale and High It is well known to materials scientists
• Mechanism of Thermal Transport in Dilute Nanocolloids Jacob Eapen,1
• IMPOSING FIELD BOUNDARY CONDITIONS IN MD SIMULATION OF FLUIDS: OPTIMAL PARTICLE CONTROLLER AND BUFFER ZONE FEEDBACK
• Beyond the Maxwell limit: Thermal conduction in nanofluids with percolating fluid structures Jacob Eapen*
• How to get rich fast with batteries All that matters http://blog.joerg.heber.name/2010/12/10/how-to-get-rich-fast-with-batte... 1 of 5 01/01/2011 08:04 AM
• Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials
• Coupling continuum to molecular-dynamics simulation: Reflecting particle method and the field estimator
• Mechanical Stability and Unfolding Pathways of Spectrin: A Molecular Dynamics Study
• Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations T.-L. Chan,1 Y. X. Yao,1 C. Z. Wang,1 W. C. Lu,1 J. Li,2 X. F. Qian,3 S. Yip,3 and K. M. Ho1
• Comment on ``Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures'' J. Chem. Phys. 119, 2376 ,,2003...
• Nearly Exact Solution for Coupled Continuum/MD Fluid Ju Li, Dongyi Liao and Sidney Yip (syip@mit.edu)
• AB INITIO STUDY OF IDEAL SHEAR STRENGTH Shigenobu Ogata1,2,3, Ju Li4, Yoji Shibutani2,3 and Sidney Yip1
• Interfacial plasticity governs strain rate sensitivity and ductility in nanostructured metals
• Ductile crystallineamorphous nanolaminates Yinmin Wang*
• JOM February 200942 www.tms.org/jom.html Research SummaryResearch Summary75 Years of Dislocations
• Copyright c2002 Tech Science Press CMES, vol.3, no.2, pp.219-227, 2002 Atomistic Measures of Materials Strength
• THERMAL CONDUCTIVITY OF SOLID ARGON BY CLASSICAL MOLECULAR Hideo Kaburaki, Ju Li
• PHILOSOPHICAL MAGAZINE, 2003, VOL. 83, NO. 5, 539567 Periodic image effects in dislocation modelling
• DEFORMATION MECHANISMS IN NI-BASE DISK SUPERALLOYS AT HIGHER TEMPERATURES
• From Correlation Functions to Hydrodynamic Behaviour
• Quasiatomic orbitals for ab initio tight-binding analysis Xiaofeng Qian,1 Ju Li,2,* Liang Qi,2 Cai-Zhuang Wang,3 Tzu-Liang Chan,3 Yong-Xin Yao,3 Kai-Ming Ho,3 and
• N -body Microscopic Heat Current Expression Li Ju
• Atomistic Configurations and Energetics of Crack Extension in Silicon and Sidney Yip3,*
• Philosophical Magazine, Vol. 85, No. 19, 1 July 2005, 21772195
• Leapfrog cracking and nano-amorphization of ZnO nanowire during in-situ electrochemical lithiation
• Published: June 27, 2011 r 2011 American Chemical Society 3312 dx.doi.org/10.1021/nl201684d |Nano Lett. 2011, 11, 33123318
• LIU ET AL. VOL. XXX ' NO. XX ' 000000 ' XXXX www.acsnano.org
• Reversible nanopore formation in Ge nanowires during lithiation-delithiation cycles: an in situ TEM study
• Eur. Phys. J. B 82, 271293 (2011) DOI: 10.1140/epjb/e2011-20075-4
• Emergence of strain-rate sensitivity in Cu nanopillars: Transition from dislocation multiplication to dislocation nucleation
• nATuRE CommunICATIons | 2:547 | DoI: 10.1038/ncomms1557 | www.nature.com/naturecommunications 2011 Macmillan Publishers Limited. All rights reserved.
• This article was originally published in the Comprehensive Nuclear Materials published by Elsevier, and the attached copy is provided by Elsevier for the author's benefit and
• Sample size effects on the large strain bursts in submicron aluminum pillars Zhang-Jie Wang,1
• PHYSICAL REVIEW B 85, 064303 (2012) Adaptive-boost molecular dynamics simulation of carbon diffusion in iron
• 1NATURE COMMUNICATIONS | 3:609 | DOI: 10.1038/ncomms1619 | www.nature.com/naturecommunications 2012 Macmillan Publishers Limited. All rights reserved.
• The Nanostructured Origin of Deformation Twinning Liang Qi,,,