高温高压条件下金属铌和铀的原子间相互作用势的构建与应用

U1830138
2018
A31.NSFC-中物院联合基金
胡望宇
联合基金项目
教授
湖南大学
60万元
冲击加载;核燃料;微观结构;分子动力学模拟;原子间相互作用势
2019-01-01到2021-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Crystallographic-orientation-dependence plasticity of niobium under shock compressions 期刊论文 Pan Li;Yongfeng Huang;Kun Wang;Shifang Xiao;Liang Wang;Songlin Yao;Wenjun Zhu;Wangyu Hu
2 Doping-induced enhancement of crystallinity in polymeric carbon nitride nanosheets to improve their visible-light photocatalytic activity 期刊论文 Li Yuan Yuan;Zhou Bing Xin;Zhang Hua Wei;Ma Shao Fang;Huang Wei Qing;Peng Wei;Hu Wangyu;Huang Gui Fang
3 Molecular dynamic simulations of plasticity and phase transition in Mg polycrystalline under shock compression 期刊论文 Jian Zhiyong;Chen Yangchun;Xiao Shifang;Wang Liang;Li Xiaofan;Wang Kun;Deng Huiqiu;Hu Wangyu
4 Molecular dynamics simulation of cylindrically converging shock response in single crystal Cu 期刊论文 Tang Fang;Jian Zhiyong;Xiao Shifang;Li Xiaofan;Wang Liang;Huang Bowen;Deng Huiqiu;Hu Wangyu
5 From monolayer to lateral heterostructure of functionalized phosphorus carbide: Evolution of electronic properties 期刊论文 Huang Tao;Lian Ji-Chun;Yang Ke;Si Yuan;Wu Hong-Yu;Huang Wei-Qing;Hu Wangyu;Huang Gui-Fang
6 The mechanism of plasticity and phase transition in iron single crystals under cylindrically divergent shock loading 期刊论文 Jieyao Tan;ZhiyongJian;Shifang Xiao;Xiaofan Li;Kun Wang;Liang Wang;Bowen Huang;Huiqiu Deng;Wenjun Zhu;Wangyu Hu
7 Electrostatic Potential Anomaly in 2D Janus Transition Metal Dichalcogenides 期刊论文 Lian Ji-Chun;Huang Wei-Qing;Hu Wangyu;Huang Gui-Fang
8 Ultra -thin tubular graphitic carbon Nitride -Carbon Dot lateral heterostructures: One -Step synthesis and highly efficient catalytic hydrogen generation 期刊论文 Li Bo;Fang Qian;Si Yuan;Huang Tao;Huang Wei-Qing;Hu Wangyu;Pan Anlian;Fan Xiaoxing;Huang Gui-Fang
9 Monolayer Phosphorene-Carbon Nanotube Heterostructures for Photocatalysis: Analysis by Density Functional Theory 期刊论文 Zhang Zhaogang;Cheng Meng-Qi;Chen Qing;Wu Hong-Yu;Hu Wangyu;Peng Ping;Huang Gui-Fang;Huang Wei-Qing
10 Effect of symmetrical tilt grain boundary on the compatibility between copper and liquid lithium: Atomistic simulations 期刊论文 Xu Chao;Wei Jun;Huang Bowen;Meng Xiancai;Xiao Shifang;Deng Huiqiu;Hu Wangyu
11 Tunable Schottky barrier in van der Waals heterostructures of graphene and hydrogenated phosphorus carbide monolayer: first-principles calculations 期刊论文 Huang Tao;Chen Qing;Cheng Meng-Qi;Huang Wei-Qing;Hu Wangyu;Huang Gui-Fang
12 Interfacial charge modulation: carbon quantum dot implanted carbon nitride double-deck nanoframes for robust visible-light photocatalytic tetracycline degradation 期刊论文 Li Yuan-Yuan;Si Yuan;Zhou Bing-Xin;Huang Tao;Huang Wei-Qing;Hu Wangyu;Pan Anlian;Fan Xiaoxing;Huang Gui-Fang
13 Insights Into Interfacial Interaction and Its Influence on the Electronic and Optical Properties of Two-Dimensional WS2/TX2CO2 (TX = Ti, Zr) van der Waals Heterostructures 期刊论文 Ma Li Li;Wu Hong Yu;Huang Wei Qing;Hu Wang Yu;Peng Ping;Huang Gui Fang
14 High-Throughput One-Photon Excitation Pathway in 0D/3D Heterojunctions for Visible-Light Driven Hydrogen Evolution 期刊论文 Li Bo;Peng Wei;Zhang Jing;Lian Ji-Chun;Huang Tao;Cheng Na;Luo Ziyu;Huang Wei-Qing;Hu Wangyu;Pan Anlian;Jiang Lang;Huang Gui-Fang
15 Two-Dimensional GaX/SnS2 (X=S, Se) van der Waals Heterostructures for Photovoltaic Application: Heteroatom Doping Strategy to Boost Power Conversion Efficiency 期刊论文 Wu Hong Yu;Yang Ke;Si Yuan;Huang Wei Qing;Hu Wangyu;Huang Gui Fang
16 Molecular dynamics simulations of the diffusion characteristics on the Fe-W interfaces system 期刊论文 Wei Jun;Xu Chao;Li Pan;Deng Huiqiu;Xiao Shifang;Hu Wangyu
17 Type-II/type-II band alignment to boost spatial charge separation: a case study of g-C3N4 quantum dots/a-TiO2/r-TiO2 for highly efficient photocatalytic hydrogen and oxygen evolution 期刊论文 Zhou Bing-Xin;Ding Shuang-Shuang;Wang Yan;Wang Xiao-Rui;Huang Wei-Qing;Li Kai;Huang Gui-Fang
18 Hierarchical Self-assembly of Well-Defined Louver-Like P-Doped Carbon Nitride Nanowire Arrays with Highly Efficient Hydrogen Evolution 期刊论文 Li Bo;Si Yuan;Fang Qian;Shi Ying;Huang Wei-Qing;Hu Wangyu;Pan Anlian;Fan Xiaoxing;Huang Gui-Fang
19 Strain and interfacial engineering to accelerate hydrogen evolution reaction of two-dimensional phosphorus carbide 期刊论文 Huang Tao;Si Yuan;Wu Hong-Yu;Xia Li-Xin;Lan Yu;Huang Wei-Qing;Hu Wang-Yu;Huang Gui-Fang
20 Generalized Synthetic Strategy for Amorphous Transition Metal Oxides-Based 2D Heterojunctions with Superb Photocatalytic Hydrogen and Oxygen Evolution 期刊论文 Zhou Bing-Xin;Ding Shuang-Shuang;Yang Kang-Xin;Zhang Jing;Huang Gui-Fang;Pan Anlian;Hu Wangyu;Li Kai;Huang Wei-Qing
21 Ultrahigh Sensitivity and Selectivity of Pentagonal SiC2 Monolayer Gas Sensors: The Synergistic Effect of Composition and Structural Topology 期刊论文 Tang Lin;Cheng Meng-Qi;Chen Qing;Huang Tao;Yang Ke;Huang Wei-Qing;Hu Wangyu;Huang Gui-Fang
22 Shock-induced plasticity and phase transformation in single crystal magnesium: an interatomic potential and non-equilibrium molecular dynamics simulations 期刊论文 Jian Zhiyong;Chen Yangchun;Xiao Shifang;Wang Liang;Li Xiaofan;Wang Kun;Deng Huiqiu;Hu Wangyu
23 Molecular dynamics simulation of shock wave propagation and spall failure in single crystal copper under cylindrical impact 期刊论文 Chen Ying;Jian Zhiyong;Xiao Shifang;Wang Liang;Li Xiaofan;Wang Kun;Deng Huiqiu;Hu Wangyu
24 Molecular dynamics simulations of shock loading of nearly fully dense granular Ni-Al composites 期刊论文 Xiong Yongnan;Li Xiaofan;Xiao Shifang;Deng Huiqiu;Huang Bowen;Zhu Wenjun;Hu Wangyu
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