张林

张林，男，教授/硕士生、博士生导师

出生年月：1972年01月

邮箱：zhanglin@imp.neu.edu.cn

1、教育学习经历：

(1)1999-3至2002-3，东北大学，材料物理与化学，博士

(2)1993-9至1996-7，大连理工大学，等离子体物理，硕士

(3)1989-9至1999-9，大连理工大学，应用物理，学士

2、研究工作经历：

(1)2016-1至今,雷竞技官方主页.材料科学与工程学院,教授

(2)2012-1至2012-4,德国萨尔大学.物理化学系,访问学者

(3)2012-1至2015-12,东北大学.理学院,教授

(4)2006-6至2007-6,美国阿贡国家实验室.材料部,访问学者

(5)2004-7至2011-12,东北大学.理学院,副教授

(6)2002-3至2004-6，中国科学院金属研究所，沈阳材料科学国家实验室，博士后

3、主要研究方向：

（1）轻质合金内缺陷与力学性质计算研究

（2）低维材料热力学、微观力学及其电子态

（3）半导体与储能材料电子结构及量子输运、离子传输计算

（4）材料计算数据挖掘及机器学习

4、主要科研成果：

[1] Guodong Cui,Lin Zhang*, Yi Dong,Predictions of anti-perovskite Li3BrSO4 electrolyte: A first principles study of electronic, thermal, and mechanical properties, as well as Li-ion conductivity, Journal of Energy Storage 2025, 111, 115393

[2]Guoyu Huang, Ying Yan,Lin Zhang^*, Yi Dong,Impact of strain and doping on Li-ion transport in Li3OBr0.5Cl0.5 anti-perovskite solid lithium-ion electrolytes: Insights from DFT and AIMD calculations,Materials Chemistry and Physics, 2025, 332, 130202

[3]Yang Cui,Lin Zhang^*,Investigating adsorption of single sodium atom on defective zigzag graphene nanoribbons doped with nitrogen atoms within SCC-DFTB formalism,Physica B: Condensed Matter, 2025, 699, 416859

[4]Xinxin Zhang,Lin Zhang*,Electron transport in spin-polarized zigzag graphene nanoribbons under uniaxial tension,Diamond&Related Materials, 2025, 152, 111970

[5]Jie Liu, Yuankui Zheng,Lin Zhang^*,Structural diagrams as well as thermodynamics behaviors of alloying Ti6Al nanoparticles: A perspective from atomic simulations, 2025, 250, 113705

[6] Lina Wei, Yang Cui,Lin Zhang^*,Insight into structures and electronic states of connected (n/n−1, 0) carbon nanotubes: Implications from a SCCDFTB algorithm, Journal of Materials Science, 2024, 59, 21333

[7] Feng Dai,Lin Zhang*，Investigating Si (100) surface patterns as well as electrical states through integrating molecular dynamics simulations with density functional tight

binding at atomic level，Materials Today Communications, 2024, 39, 108641

[8]Fuyao Deng,Lin Zhang^*, Yi Dong, Guodong Cui,The synergistic interaction of polymer electrolyte in solid state lithium batteries: A perspective from simulations at electrical level,Journal of Energy Storage 2024, 102, 114259

[9] Chuang Lin,Lin Zhang*, Yi Dong,Lattice dynamics of lithium anti-perovskite solid-state electrolytes Li3OX (X=Cl, Br): An insight into thermal management from first-principles study，Journal of Energy Storage 2024, 101, 113795

[10]Yue Guan, Dandan Zhao, Xiaodan Li,Lin Zhang^*,Theoretical design of graphene/tungsten dichalcogenide (Gr/WX2, X=S, Se) heterostructures used for anode materials of LIBs from DFT calculations,Surfaces and Interfaces 2024, 53, 104993

[11]Chuang Lin,Lin Zhang^*, Yi Dong,Strain effects on Li3OX(X =Cl,Br)anti-perovskite solid lithium-ion electrolytes: DFT study,Journal of Physics and Chemistry of Solids, 2024, 187, 111775

[12]Dandan Zhao , Yue Guan ,Lin Zhang^*,Investigating the binding and mechanical properties of carbon nanotube-encapsulated Si nanowires: A perspective from atomic simulations,Diamond&Related Materials, 2024, 142, 110790

[13]Chuang Lin,Lin Zhang^*, Yi Dong,Insight into the effect of strain on Li-ion diffusivity and conductivity in Li3OCl anti-perovskite solid-state electrolyte: A perspective from AIMD simulations,Journal of Electroanalytical Chemistry, 2024, 961, 118231

[14]Jie Liu, Feng Dai,Lin Zhang^*,Insight into the effect of single vacancy on thermal stabilities and mechanical behaviors as well as locally loading states for Ti matrixes: Implications from atomic modeling,Materials Today Communications, 2024, 40, 109473

[15]Fangzhou Jiang, Jiajing Li, Ruotian Wang, Qihang Han,Lin Zhang^*,Investigating geometries and electronic states of boron and nitrogen Co-doping graphene nanoribbons from a DFTB algorithm,Materials Science in Semiconductor Processing, 2024, 184, 108800

[16]Xinran Wang,Lin Zhang^*,Implications for electronic structures of S-doped graphene nanoribbons from a DFTB algorithm at atomic scaleMaterials Today Communications, 2024, 41, 110382

[17]Yue Guan, Guoyu Huang, Xiaodan Li,Lin Zhang^*,Insight into graphene/boron arsenide heterostructure used for high-performance lithium-ion battery anode materials: The first principles study, 2024, 147, 111365

[18]Dandan Zhao, Yue Guan,Lin Zhang^*,Investigating Chain-Like Core-Shell Ge Nanowires Coated with Carbon Nanotubes Through Atomic Simulations: Implication for Improving Binding and Mechanical Properties, Advanced Theory and Simulations, 2024, 2300974

[19] Jinhan Liu,Lin Zhang*, Structural and Thermodynamic Behaviors of CumAgn (m + n =144−147) Nanoalloys during Cooling: Implications for Nanoparticle Structure Control，ACS Appl. Nano Mater. 2023, 6, 6388

[20]Dandan Zhao, Yue Guan, Zhennan Wu,Lin Zhang*,Thermal Stability and Mechanical Properties of Hollow Si Nanowires from Atomic Modeling Combined with a Machine-Learning Prediction for Application as Li-Ion Battery Anodes,ACS Appl. Nano Mater. 2023, 6, 22241

[21]Jinhan Liu,Lin Zhang^*,Molecular Dynamics Investigation of Hetero Coalescence

between Two Ih Ag55 and Cu55 Clusters at Atomic Scale, Advanced Theory and Simulations, 2023, 2200857

[22]Jing Li, Yang Cui,Lin Zhang^*,C60 adsorption on defective Si (1 0 0) surface having one missed dimer from atomic simulations at electrical level,Arabian Journal of Chemistry, 2023, 16, 104816

[23]Wenya Jin, Jing Li, Lina Wei, Ning Yu,Lin Zhang^*,Investigating the effect of electrostatic field on electronic structures of C58N2 molecules from SCC-DFTB simulations,Chemical Physics Letters, 2023, 893, 140903

[24]Feng Dai,Lin Zhang^*,Simulating changes of packing structures, locally loading states and mechanical behaviors for Si lattices with double vacancies at elevated temperatures,Materials Science in Semiconductor Processing, 2023, 153, 107187

[25]Yue Guan, Yifan Cheng, Zhiwei Cheng, Xiaodan Li,Lin Zhang^*,Effects of atom doping on the electronic and magnetic properties of BAs/

WSe2 heterostructure,Materials Today Communications, 2023, 37, 107108

[26]Lina Wei,Lin Zhang^*,Structures and electron states of (4,4)CNT-graphene hybrid system through DFTB investigation,Materials Today Communications, 2023, 35, 105576

[27]Jinhan Liu,Lin Zhang^*,Coalescing Dynamics between Ag55 and Cu55 Clusters as Well as Thermodynamics during Cooling the Coalesced Clusters from Atomic Simulations, J. Phys. Chem. A, 2023, 127, 6881

[28]Yue Guan, Xiaodan Li, Qingmiao Hu, Dandan Zhao,Lin Zhang*,Theoretical design of BAs/WX2 (X = S, Se) heterostructures for high-performance photovoltaic applications from DFT calculations,Applied Surface Science, 2022, 599, 153865

[29] Jinhan Liu,Lin Zhang^*,Molecular dynamics simulations of the impurity effect on packing structures, local stresses, and thermodynamics of Ih silver clusters,Phys. Chem. Chem. Phys. 2022，24, 21040

[30]Feng Li,Lin Zhang^*,Structural transformation and thermodynamics of alloying CunAg55-n(n=0–55) clusters on cooling from atomic simulations,Computational Materials Science, 2022, 215, 111813

[31]Dandan Zhao, Feng Dai, Jing Li,Lin Zhang^*,Thermal stability and mechanical properties of Si/Ge superlattice nanowires having inclination interfaces from simulations at atomic

Scale,Applied Physics A, 2022, 128,768

[32]Jing Li, Yang Cui,Lin Zhang*,Investigating the effect of electric field on the adsorption of C60 onto graphene from density functional tight-binding simulations,Diamond&Related Materials, 2022, 125, 109008

[33]Jing Li, Feng Dai,Lin Zhang^*,DFTB investigation of strain affecting the combination of C60 and graphene having single-vacancy on electronic-scale,Diamond&Related Materials, 2022, 130, 109520

[34]Zhuo Wang , Jing Li , Dandan Zhao , Lin Zhang,DFTB investigations of structures and electron states for a decahedron Ti7 cluster on graphene on electrical level,Diamond&Related Materials, 2022, 130, 109459

[35]Yang Cui, Dandan Zhao, Jing Li,Lin Zhang^*,Investigating arrangements of doping B atoms affecting electrical structures of graphene nanoribbons from DFTB simulations,Materials Science in Semiconductor Processing, 2022, 149, 106899

[36]Jing Li, Yang Cui, Dandan Zhao,Lin Zhang^*,C60 adsorption on Si (100) 2×1 reconstructed surface with single vacancy in sub-surface from DFTB algorithm,Materials Science in Semiconductor Processing, 2022, 144, 106625

[37]Lina Wei, Dandan Zhao, Jing Li, Junjun Liu,Lin Zhang^*,Atomic simulations of bamboo-like N-doped CNTs with spaced nitrogen and carbon atoms by DFTB algorithm,Diamond&Related Materials, 2021, 116, 108383

[38]Lijun Wu, Baoqian Chi, Longhai Shen,Lin Zhang^*,Atomic arrangements, bond energies, and charge distribution on Si(001) surfaces with the adsorption of a Ge dimer by DFTB calculations,Computational Materials Science, 2021, 187, 110120

[39]Lin Zhang^*,Studying Stability of Atom Packing for Ti Nanoparticles on Heating by Molecular Dynamics Simulations,Adv. Eng. Mater. 2019, 21, 1800531

[40]Lin Zhang^*, Yaming Wang,Packing Changes in Melting, Freezing, and Coalescence of Titanium Nanoparticles from Atomic Simulations, JOM, 2019, 71, 4917

[41]Lin Zhang^*, Atomic simulations of packing patterns and thermal behavior in Ti clusters, Progress in Natural Science: Materials International, 2019, 29, 237

[42]Lijun Wu,Lin Zhang*, Longhai Shen,Study of atomic arrangements and charge distribution on Si(0 0 1) surfaces with the adsorption of one Ge atom by DFTB calculations,Applied Surface Science, 2018, 447, 22

[43]Lin Zhang*, Molecular dynamics simulations of atom packing characteristics for three deformed silver nanoparticles at room temperature，Phys. Chem. Chem. Phys. 2016, 18, 7310

[44]Zhang Lin(张林)*，Wang Shaoqing (王绍青)，Chen Nanxian (陈难先)，Molecular dynamics study of structural change differences between Au₂₂₅and Au₃₆₉clusters with (111) facets supported on MgO（010）surfaces at a low temperature，Chin. Phys. B 2012，21，033601

[45]张林*，李蔚，刘永利，孙本哲，王佳庆, TiAl合金基体表面Ti薄膜在升温过程中结构变化的分子动力学模拟，金属学报（08）2011，1080-1085

[46]张林*，王绍青，叶恒强，大角度Cu晶界在升温、急冷条件下晶界结构的分子动力学研究，物理学报(53) 2004，2497-2502

[47]Zhang L*, Zhang CB, Wang YM, Wang SQ, Ye HQ, A cellular automaton investigation of the transformation from austenite to ferrite during continuous cooling，Acta Mater. (51)2003，5519-5526

[48]Zhang L*, Zhang CB, Liu XH, Wang GD, Modeling recrystallization of austenite for C-Mn steels during hot deformation by cellular automaton, J. Mater. Sci. Tech. (18)2002, 163-166

[49]Zhang L*, Zhang CB, Wang YM, Liu XH, Wang GD, Cellular automaton model to simulate nucleation and growth of ferrite grains for low-carbon steels, J. Mater. Res. (17) 2002, 2251-2258

[50]张林*，王元明，张彩碚，Ni基耐热合金凝固过程的元胞自动机方法模拟， 金属学报08(2001), 882-888

5、承担项目情况：

（1）紧束缚材料计算软件的DCU加速改造，横向项目

（2）半导体材料计算云的软件应用与测试，横向项目

（3）电子束熔化技术成形Ti-6Al-4V合金试件界面区内原子堆积结构的计算研究,国家自然科学基金面上项目

（4）纳米析出相影响核反应堆压力容器用低合金钢脆性断裂裂纹演化的原子尺度计算研究，辽宁省自然科学基金

（5）Mg17Al12相影响铝合金-镁合金连接区内裂纹萌生与扩展的原子尺度计算研究，国家自然科学基金面上项目

6、获奖及荣誉：

(1)《固体物理》 辽宁省教学创新大赛三等奖，2022年

(2)《固体物理》 第二十七届辽宁省教育教学信息化交流活动二等奖，2023年

(3)《材料的计算机设计》 第二十八届辽宁省教育教学信息化交流活动二等奖，2024年

(4)《材料的计算机设计》辽宁省教学创新大赛二等奖，2024年