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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
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浏览/下载:5/0
  |  
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
Tailored electrochemical behavior of ta-C film by glancing angle deposition
期刊论文
APPLIED SURFACE SCIENCE, 2020, 卷号: 516
作者:
Wei, Jing
;
Guo, Peng
;
Liu, Linlin
;
Li, Hanchao
;
Li, Hao
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  |  
浏览/下载:129/0
  |  
提交时间:2020/12/16
DIAMOND-LIKE CARBON
MOLECULAR-DYNAMICS SIMULATION
THIN-FILMS
CORROSION BEHAVIOR
GROWTH
MICROSTRUCTURE
NANOMATERIALS
EVOLUTION
SURFACES
Experimental and theoretical studies on the inhibition properties of three diphenyl disulfide derivatives on copper corrosion in acid medium
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 298
作者:
Tan, Bochuan
;
Zhang, Shengtao
;
Qiang, Yujie
;
Li, Wenpo
;
Li, Hao
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  |  
浏览/下载:17/0
  |  
提交时间:2020/12/16
MILD-STEEL CORROSION
CARBON-STEEL
SULFURIC-ACID
MOLECULAR-DYNAMICS
IONIC LIQUIDS
SURFACE CHARACTERIZATION
ANTICORROSIVE MECHANISM
INDAZOLE DERIVATIVES
ORGANIC-COMPOUNDS
GREEN INHIBITOR
Very large Dzyaloshinskii-Moriya interaction in two-dimensional Janus manganese dichalcogenides and its application to realize skyrmion states
期刊论文
PHYSICAL REVIEW B, 2020, 卷号: 101, 期号: 18
作者:
Liang, Jinghua
;
Wang, Weiwei
;
Du, Haifeng
;
Hall, Ali
;
Garcia, Karin
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  |  
浏览/下载:107/0
  |  
提交时间:2020/12/16
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
ELECTRONIC-STRUCTURE
FERROMAGNETISM
TRANSITION
SURFACES
CRYSTAL
LATTICE
Investigation of Losartan Potassium as an eco-friendly corrosion inhibitor for copper in 0.5 M H2SO4
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 305
作者:
Li, Hao
;
Zhang, Shengtao
;
Tan, Bochuan
;
Qiang, Yujie
;
Li, Wenpo
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  |  
浏览/下载:22/0
  |  
提交时间:2020/12/16
MILD-STEEL CORROSION
SULFURIC-ACID
MOLECULAR-DYNAMICS
CARBON-STEEL
IONIC LIQUIDS
ANTICORROSIVE MECHANISM
STAINLESS-STEEL
CU CORROSION
HCL SOLUTION
EXTRACT
Understanding the Band Engineering in Mg2Si-Based Systems from Wannier-Orbital Analysis
期刊论文
ANNALEN DER PHYSIK, 2020
作者:
Tan, Xiaojian
;
Yin, Yinong
;
Hu, Haoyang
;
Xiao, Yukun
;
Guo, Zhe
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  |  
浏览/下载:36/0
  |  
提交时间:2020/12/16
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
THERMOELECTRIC PROPERTIES
EFFICIENCY
Influence of the ion size on the stability of the smectic phase of ionic liquid crystals
期刊论文
SOFT MATTER, 2020, 卷号: 16, 期号: 2, 页码: 411-420
作者:
Cao, Wudi
;
Senthilkumar, Beeran
;
Causin, Valerio
;
Swamy, Vincent P.
;
Wang, Yanting
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  |  
浏览/下载:26/0
  |  
提交时间:2020/06/16
MOLECULAR-DYNAMICS SIMULATIONS
SPATIAL HETEROGENEITY
THERMAL-BEHAVIOR
CHAIN-LENGTH
GUANIDINIUM
TRANSITION
AGGREGATION
TRANSPORT
INSIGHTS
STATE
Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation
期刊论文
CHINESE PHYSICS B, 2020, 卷号: 29, 期号: 8, 页码: 80505
作者:
Shao, Ming-Zhe
;
Wang, Yan-Ting
;
Zhou, Xin
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  |  
浏览/下载:3/0
  |  
提交时间:2020/11/26
MOLECULAR-DYNAMICS SIMULATION
POTENTIAL MODEL
WATER
ICE
CRYSTALLIZATION
INTERFACE
Statistical mechanics of a nonequilibrium steady-state classical particle system driven by a constant external force
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2020, 卷号: 72, 期号: 11, 页码: 115601
作者:
Yao, Jie
;
Wang, Yanting
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  |  
浏览/下载:16/0
  |  
提交时间:2021/09/27
MOLECULAR-DYNAMICS
ELECTRODE/ELECTROLYTE INTERFACE
Dynamic heterogeneity in aqueous ionic solutions
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 33, 页码: 21313-21324
作者:
Ren, G
;
Chen, L
;
Wang, YT
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  |  
浏览/下载:32/0
  |  
提交时间:2018/12/27
ALKALI-HALIDE SOLUTIONS
STOKES-EINSTEIN RELATION
MOLECULAR-DYNAMICS
CONDUCTIVITY RELAXATION
DIELECTRIC-SPECTROSCOPY
HOMOGENEOUS NUCLEATION
ELECTROLYTE-SOLUTIONS
SUPERCOOLED WATER
LIGHT-SCATTERING
LENNARD-JONES
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