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An improved stiff-ODE solving framework for reacting flow simulations with detailed chemistry in OpenFOAM
期刊论文
COMBUSTION THEORY AND MODELLING, 2023, 卷号: 27, 期号: 1, 页码: 57-82
作者:
Wu K(吴坤)
;
Jiang, Yuting
;
Huo ZJ(霍志杰)
;
Cheng D(程迪)
;
Fan XJ(范学军)
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2023/02/03
reacting flow simulation
detailed chemistry
stiff ODE
Jacobian
linear system solver
Numerical simulation of precipitation kinetics in multicomponent alloys
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 128, 页码: 98-106
作者:
Xu, K.
;
Liu, J. D.
;
van der Zwaag, S.
;
Xu, W.
;
Li, J. G.
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/07/14
Precipitation kinetics
Thermodynamics
Multicomponent
PSD
Voronoi construction
Modulating mechanical performances of metallic amorphous materials through phase gradient
期刊论文
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES, 2022, 卷号: 234, 页码: 107680
作者:
Guan, Yunlong
;
Wang YJ(王云江)
;
Song, Weidong
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2022/10/23
Metallic glasses
Strength-ductility synergy
Phase gradient
Shear bands
Molecular dynamics
Towards fully ab initio simulation of atmospheric aerosol nucleation
期刊论文
NATURE COMMUNICATIONS, 2022, 卷号: 13
作者:
Jiang, Shuai
;
Liu, Yi-Rong
;
Huang, Teng
;
Feng, Ya-Juan
;
Wang, Chun-Yu
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2022/12/23
Comprehensive Analyses on the Influential Factors in Supersonic Combustion Simulation Using Dynamic Adaptive Chemistry Method
期刊论文
COMBUSTION SCIENCE AND TECHNOLOGY, 2022, 页码: 29
作者:
Wu K(吴坤)
;
Contino, Francesco
;
Fan XJ(范学军)
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/09/27
Dynamic adaptive chemistry
mechanism reduction method
error threshold
search initiating species
High-fidelity numerical simulation
SPONGE: A GPU-Accelerated Molecular Dynamics Package with Enhanced Sampling and AI-Driven Algorithms
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2022, 卷号: 40, 期号: 1, 页码: 160-168
作者:
Huang YP
;
Xia YJ
;
Yang LJ
;
Wei JC(韦佳辰)
;
Yang YI
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2022/01/13
Molecular dynamics
Molecular modeling
Enhanced sampling
Machine learning
Computational chemistry
Identification of Cu(100)/Cu(111) Interfaces as Superior Active Sites for CO Dimerization During CO2 Electroreduction
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2021
作者:
Wu, Zhi-Zheng
;
Zhang, Xiao-Long
;
Niu, Zhuang-Zhuang
;
Gao, Fei-Yue
;
Yang, Peng-Peng
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2022/02/14
Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7
作者:
Hu, Tao
;
Wang, Mengting
;
Wang, Xiaohui
;
Zhou, Yanchun
;
Li, Changming
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/11/22
Two-dimensional materials
Surface functionalization
Stability
MBene
First-principles calculations
Polysulfide Catalytic Materials for Fast-Kinetic Metal-Sulfur Batteries: Principles and Active Centers
期刊论文
ADVANCED SCIENCE, 2021, 卷号: 9, 期号: 2
作者:
Cheng, Menghao
;
Yan, Rui
;
Yang, Zhao
;
Tao, Xuefeng
;
Ma, Tian
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2021/12/17
catalytic materials and electrocatalysis
metal-sulfur batteries
polysulfide reduction
oxidation
redox kinetics
shuttle effects
Effects of sampling frequency on the proper orthogonal decomposition based reconstruction of a wind turbine wake
期刊论文
IET RENEWABLE POWER GENERATION, 2021, 卷号: 15, 期号: 13, 页码: 2956-2970
作者:
Wang, Yan
;
Wang, Liang
;
Hu, RuiFeng
;
Kong, LingXuan
;
Cheng, Jie
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2021/10/14
Actuator disks
Atmospheric boundary layer
Atmospheric movements
Kinetic energy
Kinetics
Large eddy simulation
Wakes
Wind turbines
Computational costs
Distributed energies
Flow field reconstruction
Large-scale coherent structures
Proper orthogonal decompositions
Sampling frequencies
Small-scale structures
Wind turbine wakes
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