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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
金属研究所 [14]
力学研究所 [5]
长春应用化学研究所 [5]
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OAI收割 [52]
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期刊论文 [47]
会议论文 [5]
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2023 [1]
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Atomistic Insights on Surface Quality Control via Annealing Process in AlGaN Thin Film Growth
期刊论文
OAI收割
NANOMATERIALS, 2023, 卷号: 13, 期号: 8, 页码: 1382
作者:
Peng Q(彭庆)
;
Ma ZW(马知未)
;
Cai, Shixian
;
Zhao S(赵帅)
;
Chen, Xiaojia
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2023/06/15
AlGaN thin film
molecular dynamics simulations
laser annealing
atomistic structure
Ab Initio Study of Structure and Transport Properties of Warm Dense Nitric Oxide
期刊论文
OAI收割
INORGANICS, 2022, 卷号: 10, 期号: 8, 页码: 13
作者:
Fu, Zhijian
;
Zhang, Xianming
;
Wang, Rui
;
Sun, Huayang
;
Lan, Yangshun
  |  
收藏
  |  
浏览/下载:36/0
  |  
提交时间:2023/02/24
warm dense matter
nitric oxide
structure
ab initio simulations
transport properties
Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols
期刊论文
OAI收割
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 793, 页码: -
作者:
Liu, Xiuchang
;
Xue, Qiao
;
Zhang, Huazhou
;
Fu, Jianjie
;
Zhang, Aiqian
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2022/01/04
Structure-dependent GPER binding
Molecular recognition mechanism
Induced-fit effect
Molecular dynamics simulations
Bisphenols
Understanding the effects of salinity on bitumen-calcite interactions
期刊论文
OAI收割
FUEL PROCESSING TECHNOLOGY, 2021, 卷号: 213
作者:
Wang, Junyan
;
Bai, Yun
;
Sui, Hong
;
Li, Xingang
;
He, Lin
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/12/01
MOLECULAR-DYNAMICS SIMULATIONS
GENERAL FORCE-FIELD
IMPROVED OIL-RECOVERY
CHEMICAL-TRACER TESTS
SURFACE-STRUCTURE
CARBONATE/BRINE INTERFACE
ASPHALTENE ADSORPTION
WATER
WETTABILITY
IMPACT
The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes
期刊论文
OAI收割
FRONTIERS IN CHEMISTRY, 2020, 卷号: 7, 页码: 10
作者:
Tong, Jiahuan
;
Wu, Shengli
;
von Solms, Nicolas
;
Liang, Xiaodong
;
Huo, Feng
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2020/05/06
ionic liquids
electrolytes
battery
structure and property
MD simulations
Length feature of ssDNA adsorption onto graphene oxide with both large unoxidized and oxidized regions
期刊论文
OAI收割
NANOSCALE, 2020, 卷号: 12, 期号: 12, 页码: 6699-6707
作者:
Lei, XL
;
Ma, HS
;
Fang, HP
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/09/06
SINGLE-STRANDED-DNA
MOLECULAR-DYNAMICS
CARBON NANOTUBE
ATOMIC-STRUCTURE
MEMBRANES
BINDING
SURFACE
FUNCTIONALIZATION
NANOCOMPOSITES
SIMULATIONS
Nanodosimetric quantities and RBE of a clinically relevant carbon-ion beam
期刊论文
OAI收割
MEDICAL PHYSICS, 2019, 页码: 9
作者:
Dai, Tianyuan
;
Li, Qiang
;
Liu, Xinguo
;
Dai, Zhongying
;
He, Pengbo
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2022/01/19
carbon-ion therapy
Monte Carlo simulations
nanodosimetry
track structure
A molecular dynamics simulation on the oxidation of core-shell aluminum nanoparticles in oxygen and water environments
会议论文
OAI收割
Fukuoka, Japan, July 1, 2019 - July 5, 2019
作者:
Chu QZ
;
Liao LJ(廖丽涓)
;
Shi BL
;
Luo KH
;
Wang NF
  |  
收藏
  |  
浏览/下载:60/0
  |  
提交时间:2019/11/20
Aluminum nanoparticles
Concentration distributions
Heat and mass transfer process
Heat transfer efficiency
Molecular dynamics simulations
Oxidation mechanisms
Particle temperature
Structure evolution
Adsorption Behaviors and Phase Equilibria for Clathrate Hydrates of Sulfur- and Nitrogen-Containing Small Molecules
期刊论文
OAI收割
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 5, 页码: 2691-2702
作者:
Qiu, Nianxiang
;
Bai, Xiaojing
;
Xu, Jiaqi
;
Sun, Ningru
;
Francisco, Joseph S.
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2019/12/18
MONTE-CARLO SIMULATIONS
GAS HYDRATE
CARBON-DIOXIDE
CO2 CAPTURE
STRUCTURE I
HYDROGEN-SULFIDE
CAGE OCCUPANCY
METHANE
PREDICTION
DYNAMICS
Influence of alloy element partitioning on strength of primary alpha phasein Ti-6Al-4V alloy
期刊论文
OAI收割
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2018, 卷号: 34, 期号: 5, 页码: 782-787
作者:
Zeng, LR
;
Chen, HL
;
Li, X
;
Lei, LM
;
Zhang, GP
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2018/06/05
Mechanical-properties
Titanium-alloys
Electronic-structure
Ti-alloy
Nanoindentation
Behavior
Microstructure
Deformation
Simulations
Orientation