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Visualized Reaction Tracking and Physical Property Analysis for a Picked 3D Area in a Reactive Molecular Dynamics Simulation System 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 11
Authors:  Tang, Yujie;  Zheng, Mo;  Ren, Chunxing;  Li, Xiaoxia;  Guo, Li
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ReaxFF MD  Regional reaction tracking  Physical property  Visualization  
ReaxFF Molecular Dynamics Simulations of Thermal Reactivity of Various Fuels in Pyrolysis and Combustion 期刊论文
ENERGY & FUELS, 2021, 卷号: 35, 期号: 15, 页码: 11707-11739
Authors:  Li, Xiaoxia;  Zheng, Mo;  Ren, Chunxing;  Guo, Li
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Molecular dynamics study on the stability of foot-and-mouth disease virus particle in salt solution 期刊论文
MOLECULAR SIMULATION, 2021, 页码: 8
Authors:  Li, Chen;  Chen, Wei;  Lin, Xuan;  Zhang, Songping;  Wang, Yufei;  He, Xianfeng;  Ren, Ying
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Foot-and-mouth disease virus  saline solution  stability  molecular dynamics simulation  free energy calculation  
Abnormal Enhanced Free Ions of Ionic Liquids Confined in Carbon Nanochannels 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2021, 卷号: 12, 期号: 26, 页码: 6078-6084
Authors:  Wang, Mi;  Wang, Yanlei;  Wang, Chenlu;  Gan, Zhongdong;  Huo, Feng;  He, Hongyan;  Zhang, Suojiang
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The study of the optical phonon frequency of 3C-SiC by molecular dynamics simulations with deep neural network potential 期刊论文
JOURNAL OF APPLIED PHYSICS, 2021, 卷号: 129, 期号: 24, 页码: 11
Authors:  Chen, Wei;  Li, Liang-Sheng
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A Bubble-Assisted Approach for Patterning Nanoscale Molecular Aggregates 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 8
Authors:  Min, Fanyi;  Zhou, Peng;  Huang, Zhandong;  Qiao, Yali;  Yu, Changhui;  Qu, Zhiyuan;  Shi, Xiaosong;  Li, Zheng;  Jiang, Lang;  Zhang, Zhen;  Yan, Xuehai;  Song, Yanlin
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Bubble Template  High-resolution Patterning  Interface Confined Assembly  Molecular Aggregate  Organic Molecules  
Dynamic migration mechanism of organic oxygen in Fugu coal pyrolysis by large-scale ReaxFF molecular dynamics 期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 156, 页码: 9
Authors:  Gao, Mingjie;  Li, Xiaoxia;  Guo, Xin;  Chen, Lei;  Sun, Laizhi;  Yang, Shuangxia;  Xie, Xinping;  Hua, Dongliang
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ReaxFF molecular dynamics simulation  Coal pyrolysis  Organic oxygen  Evolution trend  Migration mechanism  
Anisotropic Growth of Silver Dendrites Regulated by Preferential Adsorption of Nitrate Ions on Crystal Facets 期刊论文
CRYSTAL RESEARCH AND TECHNOLOGY, 2021, 页码: 8
Authors:  Huang, Haoyang;  Dou, Xiangyu;  Han, Yongsheng
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Dendritic Structures  Growth Anisotropy  Nitrate Ion  Preferential Adsorption  Silver  
An Overview of Ammonia Separation by Ionic Liquids 期刊论文
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 2021, 卷号: 60, 期号: 19, 页码: 6908-6924
Authors:  Zhang, Lu;  Dong, Haifeng;  Zeng, Shaojuan;  Hu, Zongyuan;  Hussain, Shahid;  Zhang, Xiangping
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Intensified Energy Storage in High-Voltage Nanohybrid Supercapacitors via the Efficient Coupling between TiNb2O7/Holey-rGO Nanoarchitectures and Ionic Liquid-Based Electrolytes 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2021, 卷号: 13, 期号: 18, 页码: 21349-21361
Authors:  Liu, Ao;  Zhang, Haitao;  Xing, Chunxian;  Wang, Yanlei;  Zhang, Junwei;  Zhang, Xixiang;  Zhang, Suojiang
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supercapacitor  electrolytes  energy storage mechanism  nanoarchitectures  ion transport