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A Comparative Study on Force-Fields for Interstitial Diffusion in α-Zr and Zr Alloys 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 15, 页码: 14./通讯作者：Li, Yuanming, Peng, Qing
Authors:  Li, Jing;  Shi, Tan;  Zhang, Chen;  Zhang, Ping;  Ibrahim, Shehu Adam;  Sun, Zhipeng;  Li, Yuanming;  Tang, Chuanbao;  Peng Q(彭庆);  Lu, Chenyang
Favorite  |  View/Download：100/0  |  Submit date：2024/09/09
zirconium alloys  interstitial diffusion  radiation damage  interatomic potentials  molecular dynamics  
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./通讯作者：Xie, L, Wang, WR (corresponding author), Univ Sci & Technol Beijing, Sch Mech Engn, Beijing 100083, Peoples R China.
Authors:  Xie, Lu;  DaWu, Guang;  Peng Q(彭庆);  Wang, WenRui
Adobe PDF(23653Kb)  |  Favorite  |  View/Download：139/22  |  Submit date：2023/09/05
FeCrAl alloy  Lead-bismuth eutectic  Dissolution and diffusion  Solid-liquid interface  Molecular dynamics  
Diffusion coefficient and the volume swelling of CO2/light oil systems: Insights from dynamic volume analysis and molecular dynamics simulation 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2023, 卷号: 382, 页码: 121943./通讯作者：Xiao, HM (corresponding author), Univ Chinese Acad Sci, Inst Porous Flow & Fluid Mech, Langfang 065007, Peoples R China., Zheng, TY (corresponding author), Chinese Acad Sci, Inst Mech, Beijing 100190, Peoples R China.
Authors:  Luo, Yongcheng;  Xiao, Hanmin;  Liu, Xiangui;  Zheng TY(郑太毅);  Wu, Zhenkai
Adobe PDF(8257Kb)  |  Favorite  |  View/Download：184/68  |  Submit date：2023/07/17
CO2-light oil system  Diffusion coefficient  Swelling factor  Molecular dynamics simulation  
Defective Graphene Effects on Primary Displacement Damage and He Diffusion at a Ni Graphene Interface: Molecular Dynamics Simulations 期刊论文
CRYSTALS, 2023, 卷号: 13, 期号: 2, 页码: 198./通讯作者：Huang, H (corresponding author), Zhengzhou Univ, Sch Phys & Microelect, Key Lab Mat Phys, Minist Educ, Zhengzhou 450052, Peoples R China., Huang, H (corresponding author), Nanjing Univ Aeronaut & Astronaut, Dept Nucl Sci & Technol, Nanjing 210016, Peoples R China.
Authors:  Huang, Hai;  Yuan, Xiaoting;  Ge, Xiaoxin;  Peng Q(彭庆)
Adobe PDF(15865Kb)  |  Favorite  |  View/Download：44/9  |  Submit date：2023/04/20
Ni graphene interface  defective graphene  displacement damage  He diffusion  molecular dynamics  
Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation 期刊论文
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10./通讯作者：Xiao, Hanmin, Zheng, Taiyi
Authors:  Luo,Yongcheng;  Xiao,Hanmin;  Liu,Xiangui;  Zheng TY(郑太毅)
Adobe PDF(11320Kb)  |  Favorite  |  View/Download：340/139  |  Submit date：2022/11/21
Adsorption  Potential energy  Self -diffusion coefficient  Molecular dynamics  
Identification of distinctions of immiscible CO2 huff and puff performance in Chang-7 tight sandstone oil reservoir by applying NMR, microscope and reservoir simulation 期刊论文
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING, 2022, 卷号: 209, 页码: 11./通讯作者：Luo, Yongcheng
Authors:  Luo, Yongcheng;  Zheng TY(郑太毅);  Xiao, Hanmin;  Liu, Xiangui;  Zhang, Haiqin;  Wu, Zhenkai;  Zhao, Xinli;  Xia, Debin
Adobe PDF(10440Kb)  |  Favorite  |  View/Download：385/101  |  Submit date：2022/01/24
CO 2 huff and puff  Nuclear magnetic resonance  Residual oil distribution  Molecular diffusion  Asphaltene precipitation  
Disentangling diffusion heterogeneity in high-entropy alloys 期刊论文
ACTA MATERIALIA, 2022, 卷号: 224, 页码: 9./通讯作者：Wang, Yun-Jiang
Authors:  Wang YZ(王一舟);  Wang YJ(王云江)
Adobe PDF(2039Kb)  |  Favorite  |  View/Download：333/90  |  Submit date：2022/06/11
Diffusion  Dynamic heterogeneity  High-entropy alloy  Molecular dynamics  
A free energy landscape perspective on the nature of collective diffusion in amorphous solids 期刊论文
ACTA MATERIALIA, 2018, 卷号: 157, 页码: 165-173
Authors:  Wang YJ(王云江);  Du JP;  Shinzato S;  Dai LH(戴兰宏);  Ogata S
View  |  Adobe PDF(1426Kb)  |  Favorite  |  View/Download：473/178  |  Submit date：2018/10/30
Metallic glasses  Collective diffusion  Accelerated molecular dynamics  Free energy landscape  
Molecular dynamics simulation of diffusion of nanoparticles in mucus 期刊论文
ACTA MECHANICA SOLIDA SINICA, 2017, 卷号: 30, 期号: 3, 页码: 241-247
Authors:  Wang JL(王九令);  Shi XH(施兴华);  Shi, XH (reprint author), Chinese Acad Sci, Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Nanosyst & Hierarchy Fabricat, Beijing 100190, Peoples R China.;  Shi, XH (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
View  |  Adobe PDF(2280Kb)  |  Favorite  |  View/Download：631/182  |  Submit date：2017/11/29
Nanoparticle Diffusion  Mucus Penetration  Fibrous Medium  Molecular Dynamics Simulation  Drug Delivery  
Rotation-Facilitated Rapid Transport of Nanorods in Mucosal Tissues 期刊论文
NANO LETTERS, 2016, 卷号: 16, 期号: 11, 页码: 7176-7182
Authors:  Yu MR;  Wang JL;  Yang YW;  Zhu CL;  Su Q;  Guo SY;  Sun JS;  Gan Y;  Shi XH(施兴华);  Gao HJ;  Gan, Y (reprint author), Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai 201203, Peoples R China.;  Shi, XH (reprint author), Chinese Acad Sci, Natl Ctr Nanosci & Technol, Key Lab Nanosyst & Hierarchy Fabricat, Ctr Excellence Nanosci, Beijing 100190, Peoples R China.;  Shi, XH (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.;  Gan, Y;  Shi, XH (reprint author), Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China.;  Gao, HJ (reprint author), Brown Univ, Sch Engn, Providence, RI 02912 USA.
View  |  Adobe PDF(1261Kb)  |  Favorite  |  View/Download：629/219  |  Submit date：2017/02/24
Mucus Penetration  Nanoparticle Diffusion  Shape Dependent  Molecular Simulations  Transmucosal Delivery