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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
Authors:
Ceng DD(曾丹丹)
;
Jiang JZ(蒋建政)
;
Liu C(刘崇)
;
Fan J(樊菁)
Favorite
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View/Download:9/0
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Submit date:2024/03/11
atom-surface interaction
energy relaxation
residence time
molecular dynamics
Improved Quantum-Classical Treatment of N
2
-N
2
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
Authors:
Hong QZ(洪启臻)
;
Storchi, Loriano
;
Sun QH(孙泉华)
;
Bartolomei, Massimiliano
;
Pirani, Fernando
;
Coletti, Cecilia
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View/Download:22/0
  |  
Submit date: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
Authors:
Shan, Baochao
;
Su, Wei
;
Gibelli, Livio
;
Zhang YH(张勇豪)
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  |  
View/Download:22/0
  |  
Submit date: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
Authors:
Lv JQ(吕家琦)
;
Hong QZ(洪启臻)
;
Wang XY(王小永)
;
Mao, Zhiping
;
Sun QH(孙泉华)
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  |  
View/Download:61/0
  |  
Submit date: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
Authors:
Sun C(孙岑)
;
Zhu, Aixue
;
Xu, Tong
;
Wei XL(魏小林)
;
Hong, Dikun
;
Si, Tong
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View/Download:31/0
  |  
Submit date:2023/09/05
Inherent organic sodium
ReaxFF
Pyrolysis
Molecular simulation
Py-GC/MS
数据驱动的爆轰波化学反应加速计算方法研究
学位论文
博士论文,北京: 中国科学院大学, 2023
Authors:
杨瑞鑫
Adobe PDF(6399Kb)
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Submit date:2023/06/26
爆轰波
化学反应面
GPU 加速
简化机理
遗传算法
神经网络
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
Authors:
Shan, Baochao
;
Ju, Long
;
Su, Wei
;
Guo, Zhaoli
;
Zhang YH(张勇豪)
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View/Download:27/0
  |  
Submit date: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
Authors:
Su, Wei
;
Gibelli, Livio
;
Li, Jun
;
Borg, MatthewK.
;
Zhang YH(张勇豪)
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  |  
Submit date:2023/04/20
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoO
x
S
4-
x
2-
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
Authors:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
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View/Download:38/0
  |  
Submit date: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
Authors:
Wang Y(王粤)
;
Wang YP(汪运鹏)
;
Wang C(王春)
;
Jiang ZL(姜宗林)
Adobe PDF(5479Kb)
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View/Download:351/66
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Submit date: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