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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
作者:  Ceng DD(曾丹丹);  Jiang JZ(蒋建政);  Liu C(刘崇);  Fan J(樊菁)
收藏  |  浏览/下载：21/0  |  提交时间：2024/03/11
atom-surface interaction  energy relaxation  residence time  molecular dynamics  
Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
作者:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando;  Coletti, Cecilia
Adobe PDF(5231Kb)  |  收藏  |  浏览/下载：25/0  |  提交时间：2024/01/22
Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids 期刊论文
JOURNAL OF FLUID MECHANICS, 2023, 卷号: 976, 页码: 36
作者:  Shan, Baochao;  Su, Wei;  Gibelli, Livio;  Zhang YH(张勇豪)
Adobe PDF(1113Kb)  |  收藏  |  浏览/下载：27/0  |  提交时间：2024/01/02
microscale transport  kinetic theory  
DeepStSNet: Reconstructing the quantum state-resolved thermochemical nonequilibrium flowfield using deep neural operator learning with scarce data 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2023, 卷号: 491, 页码: 112344
作者:  Lv JQ(吕家琦);  Hong QZ(洪启臻);  Wang XY(王小永);  Mao, Zhiping;  Sun QH(孙泉华)
Adobe PDF(5558Kb)  |  收藏  |  浏览/下载：64/0  |  提交时间：2023/09/26
Hypersonic  Thermochemical nonequilibrium  State-to-state approach  Deep learning  Multiphysics  Data assimilation  
Atomic-level analysis of migration and transformation of organic sodium in high-alkali coal pyrolysis using reactive molecular dynamics simulations 期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2023, 卷号: 11, 期号: 3, 页码: 110189
作者:  Sun C(孙岑);  Zhu, Aixue;  Xu, Tong;  Wei XL(魏小林);  Hong, Dikun;  Si, Tong
Adobe PDF(8251Kb)  |  收藏  |  浏览/下载：37/0  |  提交时间：2023/09/05
Inherent organic sodium  ReaxFF  Pyrolysis  Molecular simulation  Py-GC/MS  
Non-equilibrium flow of van der Waals fluids in nano-channels 期刊论文
PHYSICS OF FLUIDS, 2023, 卷号: 35, 期号: 5, 页码: 52004
作者:  Shan, Baochao;  Ju, Long;  Su, Wei;  Guo, Zhaoli;  Zhang YH(张勇豪)
Adobe PDF(2705Kb)  |  收藏  |  浏览/下载：27/0  |  提交时间：2023/07/17
Kinetic modeling of nonequilibrium flow of hard sphere dense gases 期刊论文
PHYSICAL REVIEW FLUIDS, 2023, 卷号: 8, 期号: 1, 页码: 13401
作者:  Su, Wei;  Gibelli, Livio;  Li, Jun;  Borg, MatthewK.;  Zhang YH(张勇豪)
Adobe PDF(629Kb)  |  收藏  |  浏览/下载：41/0  |  提交时间：2023/04/20
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：48/0  |  提交时间：2024/01/08
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition  
Numerical Investigation on Longitudinal Stage Separation of Spiked Two-Stage-to-Orbit Vehicle 期刊论文
Journal of Spacecraft and Rockets, 2023, 卷号: 60, 期号: 1, 页码: 215-229
作者:  Wang Y(王粤);  Wang YP(汪运鹏);  Wang C(王春);  Jiang ZL(姜宗林)
Adobe PDF(5479Kb)  |  收藏  |  浏览/下载：363/69  |  提交时间：2022/08/24
Multistage Launch Vehicle  Aerodynamic Characteristics  Shock Wave Interaction  Angle of Attack  Waverider  Boundary Layer Flow  Total Variation Diminishing  Adverse Pressure Gradient  Hypersonic Flows  Hypersonic Wind Tunnels  
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
Adobe PDF(3228Kb)  |  收藏  |  浏览/下载：412/274  |  提交时间：2023/02/03
paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition