Name: Jun Li

Title：Professor

Tel：15271886509

Email：jun_li@whut.edu.cn

Introduction

My research mainly focuses on developing Peridynamics method for modeling and simulating fractures, and machine learning-based computational materials science. Some specific subject areas include:

l Developing Peridynamics methods for modeling and simulating fracture in metals and ceramics.

l Developing machine learning-based force fields for simulating the mechanical deformation and failure mechanisms of superhard ceramics and semiconductors.

l Quantum mechanics simulations for mechanical properties of superhard ceramics and semiconductors.

Education Background

Ph.D in Solid Mechanics, Wuhan University of Technology, China (6/2020)

B.S. in Engineering Mechanics, Wuhan University of Technology, China (6/2014)

Professional experience

2023.09-present: Professor, Department of Physics and Mechanics, Wuhan University of Technology

2022.09-2023.08: Postdoctor, Department of Materials Science and Engineering, Iowa State University

2022.02-2022.08: Postdoctor, Department of Chemical & Materials Engineering, University of Nevada-Reno

2020.07-2022.01: Postdoctor, State key laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology

Concurrent Academic service

2024-present: Organizing Committee Member, Southern Computational Mechanics Committee

Areas of Research Interests/ Research Projects

My research mainly focuses on developing Peridynamics method for modeling and simulating fractures, and machine learning-based computational materials science.

Honors and Awards

2023 Award for excellent PhD thesis of Wuhan University of Technology (top 10%)

Academic Achievement

Journal Publications: >40 ( PRL, IJP)

[1] Shaofan Li, Jun Li. Introduction to Computational Nanomechanics: Multiscale and Statistical Simulations [M]. Cambridge: Cambridge University Press, 2022.

[2] Jun Li, K Luo, Q An. Activating mobile dislocation in boron carbide at room temperature via Al doping, Physical Review Letters, 2023, 130: 116104.

[3] Jun Li, K Luo, Q An, Atomic structure, stability, and dissociation of dislocations in cadmium telluride, International Journal of Plasticity, 2023, 163: 103552.

[4] Jun Li, K Luo, Q An. Unraveling the Hall-Petch to inverse Hall-Petch transition in nanocrystalline CdTe, International Journal of Mechanical Sciences, 2025, 286, 109852.

[5] Jun Li, Q An. Nanotwinning-induced Pseudoplastic Deformation in Boron Carbide under Low Temperature [J]. International Journal of Mechanical Sciences, 2022, 242, 107998.

[6] Jun Li, K Luo, Q An. Temperature-dependent competition between dislocation motion and phase transition in CdTe, Journal of Materials Science & Technology, 2025, 226, 109-121.

[7] Jun Li, S Li, X Lai, L Liu. Peridynamic Stress is the Static First Piola–Kirchhoff Virial Stress [J]. International Journal of Solids and Structures, 2022, 241: 111478.

[8] Jun Li, K Luo, Q An. Mobile dislocation mediated Hall-Petch and inverse Hall-Petch behaviors in nanocrystalline Al-doped boron carbide [J]. Journal of the European Ceramic Society, 2024, 44(2): 659-667.

[9] Jun Li, Q An. Quasiplastic Deformation in Shocked Nanocrystalline Boron Carbide: Grain Boundary Sliding and Local Amorphization [J]. Journal of the European Ceramic Society, 2023, 43(2): 208-216.

[10] Jun Li, Q An. Quasiplastic Deformation in Shocked Nanocrystalline Boron Carbide: Grain Boundary Sliding and Local Amorphization [J]. Journal of the European Ceramic Society, 2023, 43(2): 208-216.

[11] Jun Li, Q An. Shear-induced Amorphization in Boron Subphosphide (B12P2): Direct Transition versus Stacking Fault Mediation [J]. Journal of the American Ceramic Society, 2022, 105(11): 6826-6838.

[12] Jun Li, K Luo, Q An. Elucidating Twinning Mechanisms in CdTe Homoepitaxial Film Growth from Machine Learning Force Field Molecular Dynamics Simulations [J]. Crystal Growth & Design, 2024, 24: 7484-7493.

[13] M Li#, Jun Li#, K Luo, S Yang, Tobin F, Q An, Y Zou. Opposite effects of doping on nanoindentation pop-in phenomena in InAs and Ge crystals, Scripta Materialia, 2025, 261, 116607.

[14] Jun Li, Q An, L Liu. Local Amorphization in Boron Carbide at Finite Temperature: Strategies toward Improved Ductility [J]. Physical Review B, 2021, 104: 134105.

[15] Jun Li, S Xu, J Zhang, L Liu. First Principles Predicting Improved Ductility of Boron Carbide through Element Doping [J]. Journal of Physical Chemistry C, 2021, 125: 11591-11603.

[16] Jun Li, Q An, L Liu. A Strong Two-Dimensional Semiconductor l-B4C with High Carrier Mobility [J]. Journal of Physical Chemistry C, 2022, 126(13): 6036-6046.

[17] Jun Li, Q An. Structural and Electronic Intricacies of Cu-Doped Lead Apatite (LK-99): Implications for Potential Ambient-Pressure Superconductivity [J]. Journal of Physical Chemistry C, 2024, 128(1): 580-587.

[18] Jun Li, L Liu, S Xu, J Zhang, W She. First-principles Study of Mechanical, Electronic Properties and Anisotropic Deformation Mechanisms of TiB under Uniaxial Compressions [J]. Applied Physics A, 2019, 125(3): 222.

[19] Jun Li, L Liu, S Xu, J Zhang, Y Wu. The Effects of Carbon Content on the Anisotropic Deformation Mechanism of Boron Carbide [J]. Materials, 2018, 11(10): 1861.

[20] Jun Li, L Liu, S Xu, J Zhang. Mechanical, electronic properties and deformation mechanisms of Ti3B4 under uniaxial compressions: a first-principles calculation [J]. Acta Physica Sinica, 2020, 69(4): 043102.

[21] Jun Li, S Xu, J Zhang, L Liu, Q Liu, W She, Z Fu. Ab initio Study on the Anisotropy of Mechanical Behavior and Deformation Mechanism for Boron Carbide [J]. Chinese Physics B, 2017, 26(4): 047101.

[22] Z Yue, Jun Li*, L Liu*, X Li, H Mei. Quasi-plastic deformation mechanisms and inverse Hall–Petch relationship in nanocrystalline boron carbide under compression [J]. Chinese Physics B, 2024, 33, 086105.

[23] Xin Zhang, Yaxun Liu, Hai Mei, Lisheng Liu, Jinyong Zhang, Xin Lai*, Jun Li*. The high‑impact resistance bionic transparent composite material with octahedral structure [J]. Meccanica, 2024, 59, 939-959.

[24] Z Yue, Jun Li*, L Liu*, H Mei. Atomistic explanation of compression-induced deformation mechanisms in boron carbide [J]. Applied Physics A, 2024, 130: 187.

[25] Z Yue, Jun Li*, L Liu*, X Li, H Mei, S Xu. Effects of grain boundaries and quasi-plastic deformation in shocked bi-crystal boron carbide nanopillars [J]. Computational Materials Science, 2024, 239: 112967.