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北京大学 [23]
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Microscopic modelling of gas diffusivity in unsaturated cementitious materials considering multiple diffusion regimes
期刊论文
International Journal of Heat and Mass Transfer, 2022, 卷号: 192
作者:
Liu, Cheng
;
Xu, Zhenhai
;
Chen, Gaofeng
;
Yang, Lin
;
Zhang, Yunsheng
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2022/06/20
Calcium silicate
Cements
Concretes
Diffusion in gases
Diffusion in liquids
Diffusion in solids
Electrochemical corrosion
Gases
Hydration
Pore structure
Silicate minerals
Cement paste
Cementitious materials
Gas diffusion
Gas diffusivity
Knudsen effect
Microscopic models
Molecular diffusion
Partially saturated
Pores structure
Water saturations
Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
作者:
Tang, Chenyu
;
Wang, Yanting
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/01/16
MOLECULAR-DYNAMICS SIMULATION
COARSE-GRAINED MODELS
AB-INITIO DATA
FORCE-FIELD
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
BENZENE MIXTURES
TAIL AGGREGATION
CAR-PARRINELLO
CONFINED WATER
Multiscale Model for Crack Propagation of γ/γ Interface in γ-TiAl Alloy Based on Cohesive Zone Model
期刊论文
Xiyou Jinshu Cailiao Yu Gongcheng/Rare Metal Materials and Engineering, 2021, 卷号: 50, 期号: 5, 页码: 1617-1625
作者:
Li, Jianhua
;
Zhang, Cheng
;
Feng, Ruicheng
;
Wang, Junjun
;
Wang, Maomao
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2022/02/17
Aluminum alloys
Binary alloys
Crack propagation
Cracks
Fracture toughness
Molecular dynamics
Stress intensity factors
Titanium alloys
Constitutive parameters
Crack propagation behavior
Finite element simulations
Force-displacement curves
Force-displacement relationships
Gamma-titanium aluminide
Gamma/gamma interfaces
Polycrystalline models
Barrierless HONO and HOS(O)2-NO2Formation via NH3-Promoted Oxidation of SO2by NO2
期刊论文
Journal of Physical Chemistry A, 2021, 卷号: 125, 期号: 12, 页码: 2666-2672
作者:
Wang, Guoying
;
Ma, Shangrong
;
Niu, Xiuli
;
Chen, Xuefu
;
Liu, Fengshuo
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2022/02/17
Air quality
Ammonia
Atmospheric chemistry
Molecular dynamics
Molecules
Nitrogen oxides
Reaction kinetics
Sulfur dioxide
Troposphere
Water pollution
Ab initio molecular dynamics simulation
Air quality models
Correlation analysis
Field observations
New mechanisms
Nitrogen dioxides
Observational study
Weak interactions
Pharmacophore-based drug design for the identification of novel butyrylcholinesterase inhibitors against Alzheimer's disease
期刊论文
PHYTOMEDICINE, 2019, 卷号: 54, 期号: 2, 页码: 278-290
作者:
Jiang, YY (Jiang, Yingying)[ 2 ]
;
Gao, HW (Gao, Hongwei)[ 1,2 ]
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  |  
浏览/下载:52/0
  |  
提交时间:2019/03/19
Alzheimer's disease (AD)
Butyrylcholinesterase (BChE)
Flavonoids
Pharmacophore models
Molecular docking
De novo evolution
The application of Apc(Min/+) mouse model in colorectal tumor researches
期刊论文
JOURNAL OF CANCER RESEARCH AND CLINICAL ONCOLOGY, 2019, 卷号: 145, 期号: 5
作者:
Li, Bai
;
Ren, Junze
;
Sui, Hua
;
Fang, Fanfu
;
Li, Qi
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  |  
浏览/下载:9/0
  |  
提交时间:2019/12/05
ApcMin
+
Animal models
Colorectal tumor
Molecular targets
Application
Comparison of heavy-ion transport simulations: Collision integral with pions and Delta resonances in a box
期刊论文
PHYSICAL REVIEW C, 2019, 卷号: 100, 期号: 4, 页码: -
作者:
Ono, A
;
Xu, J
;
Colonna, M
;
Danielewicz, P
;
Ko, CM
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2020/10/16
QUANTUM MOLECULAR-DYNAMICS
SYMMETRY ENERGY
ISOSPIN PHYSICS
MEAN-FIELD
DEPENDENCE
EMISSION
EQUATION
MODELS
MATTER
STATE
Local Structural Origin of the Crystallization Tendency of Pure and Alloyed Sb
期刊论文
Physica Status Solidi - Rapid Research Letters, 2018
作者:
Ronneberger, Ider
;
Chen, Yuhan
;
Zhang, Wei
;
Mazzarello, Riccardo
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  |  
浏览/下载:5/0
  |  
提交时间:2019/11/26
Ab initio molecular dynamics simulation
Amorphous models
Crystallization tendency
Data storage
Simulated Quenching
Structural motifs
Structural origin
Technological applications
Smart Photosensitizer: Tumor-Triggered Oncotherapy by Self-Assembly Photodynamic Nanodots
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 页码: 15369-15380
作者:
Jia, Yuhua
;
Li, Jinyu
;
Chen, Jincan
;
Hu, Ping
;
Jiang, Longguang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/11/21
photobleaching
breast cancer models
photodynamic therapy
self-assembly nanodots
molecular dynamics
photosensitizers
Comparison of heavy-ion transport simulations: Collision integral in a box
期刊论文
PHYSICAL REVIEW C, 2018, 卷号: 97, 期号: 3, 页码: -
作者:
Zhang, YX
;
Wang, YJ
;
Colonna, M
;
Danielewicz, P
;
Ono, A
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2018/09/06
Boltzmann-langevin Approach
Quantum Molecular-dynamics
N-body Approach
Intermediate Energies
Microscopic Models
Symmetry Energy
Isospin Physics
Equation
Systems
State
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