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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
作者:
He, Yuyang
;
Gao, Caihong
;
Wei, Wei
;
Liu, Yun
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2024/01/08
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
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
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2023/02/03
paleoredox proxy
ab initio molecular dynamics
implicit solvent model
dispersion correction
water-droplet
periodical boundary condition
A splitting semi-implicit Euler method for stochastic incompressible Euler equations on T-2
期刊论文
IMA JOURNAL OF NUMERICAL ANALYSIS, 2022, 页码: 29
作者:
Hong, Jialin
;
Sheng, Derui
;
Zhou, Tau
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  |  
浏览/下载:5/0
  |  
提交时间:2023/02/07
stochastic incompressible Euler equation
convergence order
splitting semi-implicit Euler method
DP-MPM: Domain partitioning material point method for evolving multi-body thermal-mechanical contacts during dynamic fracture and fragmentation
期刊论文
COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, 2021, 卷号: 385, 页码: 114063
作者:
Xiao, Mian
;
Liu CQ(刘传奇)
;
Sun, WaiChing
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  |  
浏览/下载:7/0
  |  
提交时间:2022/10/25
Material point method
Multi-body contact
Fragmentation
Brittle fracture
Thermomechanics
The brain basis of handwriting deficits in Chinese children with developmental dyslexia
期刊论文
DEVELOPMENTAL SCIENCE, 2021, 页码: 19
作者:
Yang, Yang
;
Zuo, Zhentao
;
Tam, Fred
;
Graham, Simon J.
;
Li, Junjun
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  |  
浏览/下载:61/0
  |  
提交时间:2021/09/24
brain activation
developmental dyslexia
fMRI
functional connectivity
handwriting
reading
A semi-implicit discrepancy model of Reynolds stress in a higher-order tensor basis framework for Reynolds-averaged Navier-Stokes simulations
期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 4, 页码: 17
作者:
Zhang Z(张珍)
;
Ye SR(叶舒然)
;
Yin B(银波)
;
Song, Xudong
;
Wang YW(王一伟)
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2021/06/07
Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase
期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 293, 页码: 224-239
作者:
He YY(何雨旸)
;
Zhang, Yining
;
Zhang, Siting
;
Liu, Yun
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2021/03/03
Transition state theory
Density functional theory
Cutoff model
Solvent effect
Molybdenum enzyme
An energy stable linear diffusive Crank-Nicolson scheme for the Cahn-Hilliard gradient flow
期刊论文
JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2020, 卷号: 377, 页码: 26
作者:
Wang, Lin
;
Yu, Haijun
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  |  
浏览/下载:51/0
  |  
提交时间:2020/06/30
Cahn-Hilliard gradient flow
Unconditionally stable
Stabilized semi-implicit scheme
Diffusive Crank-Nicolson scheme
Error analysis
Adaptive time stepping
A two-level finite element method for the Allen–Cahn equation
期刊论文
International Journal of Computer Mathematics, 2019, 卷号: 96, 页码: 158-169
作者:
Liu, Qingfang
;
Zhang, Ke
;
Wang, Zhiheng
;
Zhao, Jiakun
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/11/19
Discrete energies
Fully implicit scheme
Implicit treatment
Nonlinear problems
Numerical experiments
Numerical tests
Stability and convergence
Two level methods
On Efficient Second Order Stabilized Semi-implicit Schemes for the Cahn-Hilliard Phase-Field Equation
期刊论文
JOURNAL OF SCIENTIFIC COMPUTING, 2018, 卷号: 77, 期号: 2, 页码: 1185-1209
作者:
Wang, Lin
;
Yu, Haijun
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2018/11/16
Phase field model
Cahn-Hilliard equation
Energy stable
Stabilized semi-implicit scheme
Second order time marching
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