Li, Ju - Massachusetts Institute of Technology -

个人简介

Battelle Energy Alliance Professor of Nuclear Science and Engineering and Professor of Materials Science and Engineering B.S. in Physics, 1994, University of Science and Technology of China Ph.D. in Nuclear Engineering, 2000, MIT

研究领域

Overcoming Timescale Challenges in Atomistic Simulations Atomistic and first-principles modeling, which describe the world as assembly of atoms and electrons, provide the most fundamental answer to problems of materials. However, they also suffer the most severe timescale limitations. For instance, in molecular dynamics (MD) simulations, in order to resolve atomic vibrations, the integration time step is limited to hundredth of a picosecond, and therefore the simulation duration is limited to sub-microsecond due to computational cost. Although a nanosecond simulation is often enough (surprisingly) for many physical and chemical properties, it is usually insufficient for predicting microstructural evolution and thermo-mechanical properties of materials. There is clearly a timescale barrier between science-based simulations and practical demands such as understanding plant reliability and nuclear waste storage. Energy Storage and Conversion A close coupling of in situ experimental observations with modeling has proven to be a powerful paradigm for understanding materials behavior [Science 330 (2010) 1515; Nature 463 (2010) 335]. Based on such fundamental understandings, we are developing novel nanostructured materials for energy storage and conversion, in applications such as batteries, fuel cells and hydrogen-embrittlement resistant steels. Materials in Extreme Environments and Far from Equilibrium Materials in nuclear fission and fusion applications often involve exceptionally high stresses, high temperature and high radiation flux. We study the effects of radiation on microstructure and thermal, electrical and mass transport properties. The concept of fictive temperature(s) that characterize out-of-equilibrium materials is an intriguing statistical mechanics problem, with applications in glasses and even in soft biological materials.

近期论文

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Xue W, Yan Q-B, Xu G, et al. Double-oxide sulfur host for advanced lithium-sulfur batteries. Nano Energy. 2017;38:12 - 18. Dong Y, Qi L, Li J, Chen I-W. A computational study of yttria-stabilized zirconia: I. Using crystal chemistry to search for the ground state on a glassy energy landscape. Acta Materialia. 2017;127:73 - 84. Zhao P, Li J, Hwang J, Wang Y. Influence of nanoscale structural heterogeneity on shear banding in metallic glasses. Acta Materialia. 2017;134:104 - 115. Zhang S, Zhao K, Zhu T, Li J. Electrochemomechanical degradation of high-capacity battery electrode materials. Progress in Materials Science. 2017;89:479 - 521. Lee M-J, Lho E, Bai P, Chae S, Li J, Cho J. Low-Temperature Carbon Coating of Nanosized Li1.015Al0.06Mn1.925O4 and High-Density Electrode for High-Power Li-Ion Batteries. Nano Letters. 2017;17(6):3744 - 3751. Zheng Y, Wang Y, Lu Y, Hu Y-S, Li J. A high-performance sodium-ion battery enhanced by macadamia shell derived hard carbon anode. Nano Energy. 2017;39:489 - 498. Kushima A, So KPyo, Su C, et al. Liquid cell transmission electron microscopy observation of lithium metal growth and dissolution: Root growth, dead lithium and lithium flotsams. Nano Energy. 2017;32:271 - 279. Wu M, Wang Z, Liu J, et al. Conetronics in 2D metal-organic frameworks: double/half Dirac cones and quantum anomalous Hall effect. 2d Materials. 2017;4(1):015015. Dong Y, Qi L, Li J, Chen I-W. A computational study of yttria-stabilized zirconia: II. Cation diffusion. Acta Materialia. 2017;126:438 - 450. Xu N, Han W, Wang Y, Li J, Shan Z. Nanoscratching of copper surface by CeO2. Acta Materialia. 2017;124:343 - 350. Xu G, Yan Q-B, Kushima A, Zhang X, Pan J, Li J. Conductive graphene oxide-polyacrylic acid (GOPAA) binder for lithium-sulfur battery. Nano Energy. 2017;31:568 - 574. Li S-H, Han W-Z, Li J, Ma E, Shan Z-W. Small-volume aluminum alloys with native oxide shell deliver unprecedented strength and toughness. Acta Materialia. 2017;126:202 - 209. Han W-Z, Zhang J, Ding M-S, et al. Helium Nanobubbles Enhance Superelasticity and Retard Shear Localization in Small-Volume Shape Memory Alloy. Nano Letters. 2017;17(6):3725 - 3730. Feng D, Ge Z-H, Chen Y-X, Li J, He J. Hydrothermal synthesis of SnQ (Q = Te, Se, S) and their thermoelectric properties. Nanotechnology. 2017;28(45):455707. Liu K, Bai P, Bazant MZ, Wang C-A, Li J. A soft non-porous separator and its effectiveness in stabilizing Li metal anodes cycling at 10 mA cm(-2) observed in situ in a capillary cell. Journal of Materials Chemistry A. 2017;5(9):4300 - 4307. Guan BYuan, Kushima A, Yu L, Li S, Li J, Lou XWen. Coordination Polymers Derived General Synthesis of Multishelled Mixed Metal-Oxide Particles for Hybrid Supercapacitors. Advanced Materials. 2017;29(17):1605902. Wang S, Yang Y, Quan W, et al. Ti3+-free three-phase Li4Ti5O12/TiO2 for high-rate lithium ion batteries: Capacity and conductivity enhancement by phase boundaries. Nano Energy. 2017;32:294 - 301. Zhang N-qiang, Zhu Z-liang, Xu H, Mao X-ping, Li J. Oxidation of ferritic and ferritic-martensitic steels in flowing and static supercritical water. Corrosion Science. 2016;103:124 - 131. Ding X, Liu XX, Huang Y, et al. Enhanced electrochemical performance promoted by monolayer graphene and void space in silicon composite anode materials. Nano Energy. 2016;27:647 - 657. Zhang J, Mao Y, Wang D, Li J, Wang Y. Accelerating ferroic ageing dynamics upon cooling. Npg Asia Materials. 2016;8:e319. Ishii A, Li J, Ogata S. Shuffling-controlled versus strain-controlled deformation twinning: The case for HCP Mg twin nucleation. acknowledges support by KAKENHI Grant Nos. 23246025 (Scientific Research (A)), 22102003 (Scientific Research on Innovative Area), and 25630013 (Challenging Exploratory Research), and Elements Strategy Initiative for Structural Materials (ESISM). JL . 2016;82:32 - 43. Wang H, Gou G, Li J. Ruddlesden-Popper perovskite sulfides A(3)B(2)S(7): A new family of ferroelectric photovoltaic materials for the visible spectrum. Nano Energy. 2016;22:507 - 513. Wu C, Wang H, Zhang J, Gou G, Pan B, Li J. Lithium-Boron (Li-B) Monolayers: First-Principles Cluster Expansion and Possible Two-Dimensional Superconductivityle. Acs Applied Materials & Interfaces. 2016;8(4):2526 - 2532. Zhou L, Zubair A, Wang Z, et al. Synthesis of High-Quality Large-Area Homogenous 1T ' MoTe2 from Chemical Vapor Deposition. Advanced Materials. 2016;28(43):9526 - +. Luo J, Wang J, Bitzek E, et al. Size-Dependent Brittle-to-Ductile Transition in Silica Glass Nanofibers. Nano Letters. 2016;16(1):105 - 113.