Ju Li

发表

Atomistic modeling of interfaces and their impact on microstructure and properties

Y. Mishin, M. Asta, Ju Li, 2010 .

Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials

Sidney Yip, Kai-Ming Ho, Gun-Do Lee, 2008 .

Electrochemomechanical degradation of high-capacity battery electrode materials

Ting Zhu, Kejie Zhao, Ju Li, 2017 .

Finding activation pathway of coupled displacive-diffusional defect processes in atomistics: Dislocation climb in fcc copper

Yunzhi Wang, Erik Bitzek, Ju Li, 2012 .

Undissociated screw dislocation in Si: Glide or shuffle set?

K. Ho, Caizhuang Wang, Ju Li, 2006 .

Phase field modeling of defects and deformation

Yunzhi Wang, Ju Li, 2010 .

Beyond the Maxwell limit: thermal conduction in nanofluids with percolating fluid structures.

Ju Li, S. Yip, J. Eapen, 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

Ab initio calculation of ideal strength and phonon instability of graphene under tension

P. Ming, F. Liu, Ju Li, 2007 .

Molecularly based analysis of deformation of spectrin network and human erythrocyte

Subra Suresh, Ming Dao, Ju Li, 2006 .

Coupling continuum to molecular-dynamics simulation: Reflecting particle method and the field estimator

Sidney Yip, Ju Li, Ju Li, 1998 .

Electrical Wind Force–Driven and Dislocation-Templated Amorphization in Phase-Change Nanowires

Sung-Wook Nam, Hee-Suk Chung, Yeonwoong Jung, 2012, Science.

Encoding electronic structure information in potentials for multi-scale simulations: SiO2

DeCarlos E. Taylor, T. Zhu, Ju Li, 2006 .

Tight-binding Hamiltonian from first-principles calculations

Wen-Cai Lu, Sidney Yip, Yongxin Yao, 2008 .

Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper

Ting Zhu, Subra Suresh, Sidney Yip, 2004 .

Statistical field estimators for multiscale simulations.

Sidney Yip, Jacob Eapen, Ju Li, 2005, Physical review. E, Statistical, nonlinear, and soft matter physics.

Atomistic simulation of rapid compression of fractured silicon carbide

A. Romano, Ju Li, S. Yip, 2006 .

Atomic Scale Chemo-mechanics of Silica: Nano-rod Deformation and Water Reaction

Jun Yu Li, Ting Zhu, Ju Li, 2006 .

A Perspective on Modeling Materials in Extreme Oxidation of Ultrahigh-emperature

A. Nakano, R. Kalia, P. Vashishta, 2006 .

Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentials

K. Ho, Caizhuang Wang, Ju Li, 2008 .

Controlling bending and twisting of conjugated polymers via solitons.

Ju Li, S. Yip, Xi Lin, 2005, Physical review letters.

Response to “Comment on ‘Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures’ ” [J. Chem. Phys. 120, 9427 (2003)]

Ju Li, S. Yip, 2004 .

Deformation and Fracture of a SiO2 Nanorod

R. Bartlett, T. Zhu, Ju Li, 2003 .

Deformation and Fracture of a SiO 2 Nanorod

R. Bartlett, Ju Li, S. Yip, 2003 .

PECASE - First Principles Modeling of Mechanics and Chemistry of Materials

Ju Li, 2013 .

FIRST-PRINCIPLES MODELING OF MECHANICS AND CHEMISTRY OF MATERIALS FA9550-07-1-0007

Ju Li, 2009 .

Nanomechanics of Crack Front Mobility

T. Zhu, Ju Li, S. Yip, 2005 .

Author ' s personal copy Overview No . 150 Phase field modeling of defects and deformation

Yunzhi Wang, Ju Li, 2009 .

Analysis of shear deformations in Al and Cu: empirical potentials versus density functional theory

Ju Li, S. Yip, S. Ogata, 2004 .

The role of chemical disorder and structural freedom in radiation-induced amorphization of silicon carbide deduced from electron spectroscopy and ab initio simulations

L. Shao, L. Hobbs, Ju Li, 2019, Journal of Nuclear Materials.

Effect of nonlinear and noncollinear transformation strain pathways in phase-field modeling of nucleation and growth during martensite transformation

Yunzhi Wang, Ju Li, P. Zhao, 2017, npj Computational Materials.

2.31 Atomistic Visualization

Ju Li, 2005 .

The gap-tooth method in particle simulations

C. W. Gear, I. Kevrekidis, Ju Li, 2003, physics/0303010.

Revealing hidden defects through stored energy measurements of radiation damage

K. Nordlund, Ju Li, R. Kemp, 2021, Science advances.

Time-dependent density functional theory with ultrasoft pseudopotentials: Real-time electron propagation across a molecular junction

Ju Li, S. Yip, X. Qian, 2005, cond-mat/0510643.

New insight into the stable grain size of nanotwinned Ni in steady-state creep: Effect of the ratio of effective-to-internal stress

Ju Li, Jun Sun, Gang Liu, 2016 .

Simulation of nanoindentation via interatomic potential finite element method

S. Suresh, T. Zhu, Ju Li, 2003 .

Beyond the Maxwell limit: thermal conduction in nanofluids with percolating fluid structures.

Ju Li, S. Yip, J. Eapen, 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

Pressure-temperature phase diagram for shapes of vesicles: A coarse-grained molecular dynamics study

Yong Zhang, Ping Liu, Ju Li, 2009 .

Defect Nucleation: Predictions through Nanoscale Experiments and Computations

S. Suresh, Ju Li, S. Yip, 2004 .

Atomistic Measures of Materials Strength

Ju Li, S. Yip, 2002 .

Unifying two criteria of Born: Elastic instability and melting of homogeneous crystals

S. Phillpot, Ju Li, S. Yip, 1997 .

Mechanisms of creep deformation in polycrystalline Ni-base disk superalloys

M. Mills, P. Sarosi, Ju Li, 2008 .

Microstructural evolution, mechanical properties and deformation mechanisms of nanocrystalline Cu thin films alloyed with Zr

Jingzhou Zhang, Ju Li, Pengfei Zhang, 2014 .

Slip transmission assisted by Shockley partials across α/β interfaces in Ti-alloys

Yunzhi Wang, S. Niezgoda, M. Savage, 2019, Acta Materialia.

Ideal Pure Shear Strength of Aluminum and Copper

Sidney Yip, Ju Li, Ju Li, 2002, Science.

Size dependence of rate-controlling deformation mechanisms in nanotwinned copper

T. Zhu, M. Dao, Ju Li, 2009 .

Microtwinning and other shearing mechanisms at intermediate temperatures in Ni-based superalloys

Yunzhi Wang, Raymond R. Unocic, Michael J. Mills, 2009 .

“Conjugate Channeling” Effect in Dislocation Core Diffusion: Carbon Transport in Dislocated BCC Iron

Ju Li, S. Ogata, A. Ishii, 2013, PloS one.

Adaptive-boost molecular dynamics simulation of carbon diffusion in iron

Hajime Kimizuka, Ju Li, Ju Li, 2012 .

Atomistic mechanisms governing elastic limit and incipient plasticity in crystals

Ting Zhu, Subra Suresh, Sidney Yip, 2002, Nature.

Indentation across size scales and disciplines: Recent developments in experimentation and modeling

A. Minor, M. Dao, N. Chollacoop, 2007 .

Thermochemical and Mechanical Stabilities of the Oxide Scale of ZrB2+SiC and Oxygen Transport Mechanisms

T. Lenosky, Ju Li, S. Yip, 2008 .

A Perspective on Modeling Materials in Extreme Environments: Oxidation of Ultrahigh-Temperature Ceramics

Rajiv K. Kalia, Priya Vashishta, Aiichiro Nakano, 2006 .

Thermal expansion and atomic vibrations of zirconium carbide to 1600 K

D. Butt, Ju Li, J. Richardson, 2007 .

Ionomigration of Neutral Phases in Ionic Conductors

Ju Li, Fuqiang Huang, I. Chen, 2012 .

Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation

Ju Li, S. Ogata, A. Ishii, 2016 .

Ultra-strength materials

Ting Zhu, Ju Li, T. Zhu, 2010 .

Author ' s personal copy Ultra-strength materials

T. Zhu, Ju Li, Ju Li, 2010 .

Energy landscape of deformation twinning in bcc and fcc metals

Sidney Yip, Ju Li, Ju Li, 2005 .

Dislocation slip or deformation twinning: confining pressure makes a difference

Ju Li, S. Yip, R. Yang, 2004 .

Chapter 64 – Dislocation Core Effects on Mobility

Sidney Yip, Vasily V. Bulatov, Jinpeng Chang, 2004 .

DEFORMATION MECHANISMS IN NI-BASE DISK SUPERALLOYS AT HIGHER TEMPERATURES

Roger C. Reed, Eric S. Huron, Yunzhi Wang, 2008 .

The intermediate temperature deformation of Ni-based superalloys: Importance of reordering

L. Kovarik, M. Mills, Ju Li, 2009 .

Atomistic modeling of mechanical behavior

P. Gumbsch, Ju Li, P. Gumbsch, 2003 .

Ideal shear strain of metals and ceramics

Sidney Yip, Yoji Shibutani, Naoto Hirosaki, 2004 .

Toughness scale from first principles

Ju Li, S. Ogata, 2009 .

Non-conservative dynamics of lattice sites near a migrating interface in a diffusional phase transformation

Yunzhi Wang, R. Shi, Ju Li, 2017 .

Interfacial plasticity governs strain rate sensitivity and ductility in nanostructured metals

Ting Zhu, Subra Suresh, Amit Samanta, 2007, Proceedings of the National Academy of Sciences.

Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations

Ju Li, S. Ogata, F. Shimizu, 2007 .

First-principles Calculation on Screw Dislocation Core Properties in BCC Molybdenum

T. Kano, Ju Li, S. Ogata, 2007 .

Core energy and Peierls stress of a screw dislocation in bcc molybdenum: A periodic-cell tight-binding study

K. Ho, Caizhuang Wang, V. Bulatov, 2004 .

Modeling displacive–diffusional coupled dislocation shearing of γ′ precipitates in Ni-base superalloys

Yunzhi Wang, M. Mills, Ju Li, 2011 .

Periodic image effects in dislocation modelling

Sidney Yip, Jinpeng Chang, Wei Cai, 2003 .

Making metals linear super-elastic with ultralow modulus and nearly zero hysteresis

Yunzhi Wang, Ju Li, Jiaming Zhu, 2018, Materials Horizons.

Atomistic simulation of the influence of pressure on dislocation nucleation in bcc Mo

H. Wang, Ju Li, S. Yip, 2006 .

Atomistic simulation of matter under stress: crossover from hard to soft materials

Sidney Yip, Antonino Romano, Ju Li, 2002 .

Temperature and strain-rate dependence of surface dislocation nucleation.

Ting Zhu, Ken Gall, Amit Samanta, 2008, Physical review letters.

Linking Interfacial Plasticity to Ductility : A Modeling Framework for Nanostructured Metals

S. Suresh, T. Zhu, Ju Li, 2006 .

Complete set of elastic constants of α -quartz at high pressure: A first-principles study

Ju Li, Y. Shibutani, S. Ogata, 2007 .

Hydrostatic compression and high-pressure elastic constants of coesite silica

Hajime Kimizuka, Ju Li, Ju Li, 2008 .

Emergence of strain-rate sensitivity in Cu nanopillars: Transition from dislocation multiplication to dislocation nucleation

Julia R. Greer, Ju Li, Andrew T. Jennings, 2011 .

Mechanics of Ultra-Strength Materials

T. Zhu, Ju Li, S. Yip, 2009 .

Grain size effects on microstructural stability and creep behaviour of nanotwinned Ni free-standing foils at room temperature

Jingzhou Zhang, Ju Li, Pengfei Zhang, 2016 .

Basic Molecular Dynamics

Ju Li, 2005 .

Unexpected high-temperature stability of β-Zn4Sb3 opens the door to enhanced thermoelectric performance.

Yang Ren, Lingzhi Ma, Ju Li, 2014, Journal of the American Chemical Society.

Calculating phase-coherent quantum transport in nanoelectronics with ab initio quasiatomic orbital basis set

Ju Li, S. Yip, X. Qian, 2010 .

Controlled Rejuvenation of Amorphous Metals with Thermal Processing

Ju Li, S. Ogata, J. Saida, 2015, Scientific Reports.

Final Report for Grant Number DE-FG02-06ER46330 Project Title: First Principles Modeling of Phonon Heat Conduction in Nanoscale Crystalline Structures Principal Investigators:

Ju Li, S. Mazumder, 2010 .

Yield point of metallic glass

Ju Li, S. Ogata, F. Shimizu, 2006 .

Learning constitutive relations of plasticity using neural networks and full-field data

Yin Zhang, Ju Li, Qing‐Jie Li, 2022, Extreme Mechanics Letters.

Time scale bridging in atomistic simulation of slow dynamics: viscous relaxation and defect activation

Ting Zhu, Sidney Yip, Jacob Eapen, 2011 .

Force-based many-body interatomic potential for ZrC

Ju Li, S. Yip, D. Liao, 2003 .

' s personal copy Modeling displacive – diffusional coupled dislocation shearing of c 0 precipitates in Ni-base superalloys

Yunzhi Wang, M. Mills, Ju Li, 2011 .

Transformation strain by chemical disordering in silicon carbide

Ju Li, 2004 .

Elastic criterion for dislocation nucleation

S. Suresh, T. Zhu, Ju Li, 2004 .

Size effects on the onset of plastic deformation during nanoindentation of thin films and patterned lines

S. Suresh, Ju Li, K. Vliet, 2003 .

Plastic bending and shape-memory effect of double-wall carbon nanotubes

S. Akita, H. Mori, Ju Li, 2007 .

Energetics of plastic bending of carbon nanotubes

S. Akita, H. Mori, Ju Li, 2006 .

MULTISCALE MATERIALS MODELLING: CASE STUDIES AT THE ATOMISTIC AND ELECTRONIC STRUCTURE LEVELS ∗

T. Zhu, Ju Li, S. Yip, 2007 .

Multiscale Modeling of Defect Nucleation and Reaction: Bulk to Nanostructures

Xiaofeng Qian, T. Zhu, Ju Li, 2004 .

Theoretical evaluation of hydrogen storage capacity in pure carbon nanostructures

Ju Li, S. Yip, T. Ohashi, 2003 .

Predicting structure and energy of dislocations and grain boundaries

Yunzhi Wang, Ju Li, Chen Shen, 2014 .

Mechanistic aspects and atomic-level consequences of elastic instabilities in homogeneous crystals

Ju Li, S. Yip, M. Tang, 2001 .

Extended defects, ideal strength and actual strengths of finite-sized metallic glasses

Yunzhi Wang, Ju Li, P. Zhao, 2014 .

Atomistic simulation of shear localization in Cu–Zr bulk metallic glass

Ju Li, Y. Shibutani, S. Ogata, 2006 .

Plastic flow and failure resistance of metallic glass: Insight from in situ compression of nanopillars

A. Minor, E. Ma, Ju Li, 2008 .

Highly localized quasiatomic minimal basis orbitals for Mo from ab initio calculations

K. Ho, Caizhuang Wang, Xiaofeng Qian, 2007 .

Influence of nanoscale structural heterogeneity on shear banding in metallic glasses

Yunzhi Wang, Ju Li, Jinwoo Hwang, 2017 .

The Mechanics and Physics of Defect Nucleation

Ju Li, Ju Li, 2007 .

Heterogeneously randomized STZ model of metallic glasses: Softening and extreme value statistics during deformation

Yunzhi Wang, Ju Li, Pengyang Zhao, 2013 .

Quantifying the early stages of plasticity through nanoscale experiments and simulations

Ting Zhu, Subra Suresh, Sidney Yip, 2003 .

Ab initio study of the surface properties and ideal strength of (100)silicon thin films

T. Kitamura, P. Gumbsch, Ju Li, 2005 .

Fast mass transport through carbon nanotube membranes.

H. Verweij, Ju Li, M. C. Schillo, 2007, Small.

Variable nanoparticle-cell adhesion strength regulates cellular uptake.

G. Bao, Ju Li, Sulin Zhang, 2010, Physical review letters.

Accelerating ferroic ageing dynamics upon cooling

Yunzhi Wang, Ju Li, Dong Wang, 2016 .

Lattice dynamical finite-element method

Xiaohui Liu, Ju Li, Yao Shen, 2010 .

Thermal Conductivity of Solid Argon by Classical Molecular Dynamics

Ju Li, S. Yip, H. Kaburaki, 1998 .

Crystal metamorphosis at stress extremes: how soft phonons turn into lattice defects

Xiaohui Liu, Ju Li, Yao Shen, 2016 .

Multiple self-localized electronic states in trans-polyacetylene.

Ju Li, S. Yip, Xi Lin, 2006, Proceedings of the National Academy of Sciences of the United States of America.

Atomistic Reaction Pathway Sampling: The Nudged Elastic Band Method and Nanomechanics Applications

T. Zhu, Ju Li, S. Yip, 2012 .

Diffusive molecular dynamics and its application to nanoindentation and sintering

Yunzhi Wang, Erik Bitzek, Ju Li, 2011 .

Atomistic configurations and energetics of crack extension in silicon.

T. Zhu, Ju Li, S. Yip, 2004, Physical review letters.

Atomistic study of dislocation loop emission from a crack tip.

Ting Zhu, Sidney Yip, Ju Li, 2004, Physical review letters.

Polaron-induced conformation change in single polypyrrole chain: An intrinsic actuation mechanism

E. Smela, Ju Li, S. Yip, 2005 .

Molecular Dynamics

B. Uberuaga, Ju Li, S. Yip, 2020, Comprehensive Nuclear Materials.

2 . 19 ATOMISTIC CALCULATION OF MECHANICAL BEHAVIOR

Ju Li, 2005 .

Atomistic Calculation of Mechanical Behavior

Ju Li, 2005 .

Theoretical assessment of the elastic constants and hydrogen storage capacity of some metal-organic framework materials.

Ju Li, A. Samanta, T. Furuta, 2006, The Journal of chemical physics.

Basic Molecular Dynamics

Ju Li, Ju Li, 2005 .

2.8 BASIC MOLECULAR DYNAMICS

Ju Li, Ju Li, 2005 .

The Mechanics and Physics of Defect Nucleation

Ju Li, Ju Li, 2007 .

Molecular dynamics study on the formation of stacking fault tetrahedra and unfaulting of Frank loops in fcc metals

S. Jitsukawa, Ju Li, H. Kaburaki, 2007 .

Imposing Field Boundary Conditions in MD Simulation of Fluids: Optimal Particle Controller and Buffer Zone Feedback

Sidney Yip, Ju Li, Ju Li, 1999 .

Materials science: Deformation of the ultra-strong

S. Suresh, Ju Li, 2008, Nature.

Stress-dependent molecular pathways of silica–water reaction

T. Zhu, Ju Li, S. Yip, 2005 .

Computer Modeling Study of the Effect of Hydration on the Stability of a Silica Nanotube

Ting Zhu, Ju Li, S. Yip, 2003 .

Dynamical thermal conductivity of argon crystal

Ju Li, S. Yip, H. Kaburaki, 2007 .

Ab Initio Study of Ideal Shear Strength

Ju Li, S. Yip, Y. Shibutani, 2004 .

Mechanical instabilities of homogeneous crystals.

Li, Wang, Wolf, 1995, Physical review. B, Condensed matter.

Near-surface lattice instability in 2D fiber and half-space

N. Yoshikawa, T. Kitamura, Ju Li, 2005 .

Mechanism of thermal transport in dilute nanocolloids.

Sidney Yip, Jacob Eapen, Ju Li, 2007, Physical review letters.

Adaptive strain-boost hyperdynamics simulations of stress-driven atomic processes

Ju Li, Shotaro Hara, Ju Li, 2010 .

Finding Critical Nucleus in Solid-State Transformations

Yunzhi Wang, Ju Li, Yunzhi Wang, 2008 .

Crack-tip dislocation nanostructures in dynamical fracture of fcc metals : Amolecular dynamics study

Ju Li, H. Kaburaki, F. Shimizu, 2003 .

Breaking Atomic Bonds through Vibrational Mode Localization

N. Yoshikawa, T. Kitamura, Ju Li, 2004 .

Modeling microstructural effects of deformation resistance and thermal conductivity

Ju Li, 2000 .

Highly efficient parallel grand canonical simulations of interstitial-driven diffusion-deformation processes

Ju Li, S. M. Taheri-Mousavi, S. Moeini-Ardakani, 2021, 2102.06980.

Modeling Dynamic Recrystallization of As-Cast 25Mn Steel under Hot Deformation Conditions

Ju Li, Yongtang Li, Yuchao Qi, 2017 .

Analysis of shear deformations in Al and Cu: empirical potentials versus density functional theory

Ju Li, S. Yip, S. Ogata, 2004 .

Nearly exact solution for coupled continuum/MD fluid simulation

Sidney Yip, Ju Li, Ju Li, 1999 .

On-lattice voxelated convolutional neural networks for prediction of phase diagrams and diffusion barriers in cubic alloys

Ryan W. Penny, Ju Li, A. J. Hart, 2021, 2103.02638.

Optimal particle controller for coupled continuum=MD fluid simulation 1

Ju Li, S. Yip, D. Liao, 2001 .

MOLECULAR DYNAMICS PREDICTION OF THE THERMAL RESISTANCE OF SOLID-SOLID INTERFACES IN SUPERLATTICES

A. McGaughey, Ju Li, 2006 .