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Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing 期刊论文
NANO TODAY, 2024, 卷号: 55, 页码: 10
Authors:  Zhang, Mingkun;  Zheng, Zhi;  Zhou, Jin;  Ding, Qihan;  Long, Mian;  Lue, Shouqin
Favorite  |  View/Download：23/0  |  Submit date：2024/03/25
Nanopore sensing  Atomic force microscopy (AFM)  Protein allostery  Steered molecular dynamics (SMD)  Spheroid approximation  
Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
Authors:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong;  Li, Yongwang;  Wen, Xiaodong
Favorite  |  View/Download：9/0  |  Submit date：2024/05/27
Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics  
Exponential relaxation of the energy and desorption dynamics of atoms colliding with a surface 期刊论文
PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 3, 页码: 10
Authors:  Ceng DD(曾丹丹);  Jiang JZ(蒋建政);  Liu C(刘崇);  Fan J(樊菁)
Favorite  |  View/Download：43/0  |  Submit date：2024/03/11
atom-surface interaction  energy relaxation  residence time  molecular dynamics  
Effect of Strain Rate, Temperature, Vacancy, and Microcracks on Mechanical Properties of 8-16-4 Graphyne 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 6, 页码: 15
Authors:  Peng Q(彭庆);  Huang, Zeyu;  Chen, Gen;  Zhang, Yuqiang;  Zhang, Xiaofan;  Chen, XiaoJia;  Hu, Zhongwei
Favorite  |  View/Download：7/0  |  Submit date：2024/05/14
8-16-4 graphyne  mechanical properties  molecular dynamics  vacancy defect  microcrack  
Insights into scratching force in axial ultrasonic vibration-assisted single grain scratching 期刊论文
JOURNAL OF MANUFACTURING PROCESSES, 2024, 卷号: 112, 页码: 150-160
Authors:  Zhang, Yuqiang;  Hu, Zhongwei;  Chen, Yue;  Yu, Yiqing;  Jin, Jianfeng;  Peng Q(彭庆);  Xu, Xipeng
Favorite  |  View/Download：31/0  |  Submit date：2024/04/02
Axial ultrasonic vibration  Scratching  Scratching force  Molecular dynamics  Periodic fluctuation  
The Effect of Impact Load on the Atomistic Scale Fracture Behavior of Nanocrystalline bcc Iron 期刊论文
NANOMATERIALS, 2024, 卷号: 14, 期号: 4, 页码: 11
Authors:  Zhao ZF(赵志福);  Wang, Zhen;  Bie, Yehui;  Liu XM(刘小明);  Wei, Yueguang
Favorite  |  View/Download：32/0  |  Submit date：2024/04/02
molecular dynamics simulation  nanocrystalline iron  impact load  fracture resistance  fracture ductility  
Effects of Chemical Short-Range Order and Lattice Distortion on Crack-Tip Behavior of Medium-Entropy Alloy by Atomistic Simulations 期刊论文
METALS, 2024, 卷号: 14, 期号: 2, 页码: 14
Authors:  Zhu XJ(朱秀举);  Cao FH(曹富华);  Dai LH(戴兰宏);  Chen Y(陈艳)
Favorite  |  View/Download：51/0  |  Submit date：2024/04/02
chemical short-range order  lattice distortion  J-integral  localized deformation zone  crack  molecular dynamics  
Atomistic insights into the influence of hydrogen on crack propagation in tungsten 期刊论文
FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11
Authors:  Shi, Jun;  Li, Bingchen;  Li, Lei;  Liu, Yifan;  Fan, Xinyue;  Peng Q(彭庆);  Liang, Linyun;  Jin, Shuo;  Lu, Guanghong
Adobe PDF(27292Kb)  |  Favorite  |  View/Download：120/3  |  Submit date：2023/12/11
Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten  
Element-dependent evolution of chemical short-range ordering tendency of NiCoFeCrMn under irradiation 期刊论文
INTERNATIONAL JOURNAL OF PLASTICITY, 2023, 卷号: 171, 页码: 15
Authors:  Zhou, Yundi;  Shi, Tan;  Li, Jing;  Wu, Lu;  Peng Q(彭庆);  Lu, Chenyang
Adobe PDF(8104Kb)  |  Favorite  |  View/Download：84/10  |  Submit date：2024/01/01
High-entropy alloys  Short-range order  Molecular dynamics  Kinetic Monte Carlo  Irradiation damage  
Molecular dynamics simulation on the dissolution and diffusion characteristics of FeCrAl alloy in liquid LBE 期刊论文
ANNALS OF NUCLEAR ENERGY, 2023, 卷号: 192, 页码: 109983
Authors:  Xie, Lu;  DaWu, Guang;  Peng Q(彭庆);  Wang, WenRui
Adobe PDF(23653Kb)  |  Favorite  |  View/Download：71/2  |  Submit date：2023/09/05
FeCrAl alloy  Lead-bismuth eutectic  Dissolution and diffusion  Solid-liquid interface  Molecular dynamics