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Molecular dynamics modeling of structural battery components
Osvalds Verners
,
Adri C.T. Van Duin
, Marnix Wagemaker
, Angelo Simone
Mechanical Engineering
Institute of Energy and the Environment (IEE)
Materials Computation Center
Research output
:
Contribution to conference
›
Paper
›
peer-review
2
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Scopus citations
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Keyphrases
Anions
100%
Force Field
100%
Radial Distribution Function
100%
Battery Components
100%
Solid Electrolyte
100%
Molecular Dynamics Modeling
100%
Structural Battery
100%
Equilibration
50%
Room Temperature
50%
Elastic Properties
50%
Solvation Structure
50%
Exchange Mechanism
50%
Dynamic Force
50%
Structural Applications
50%
Reactive Molecular Dynamics
50%
ReaxFF
50%
Ethylene Carbonate
50%
Bond Dissociation
50%
Plasticizer
50%
Function Comparison
50%
Ionic Transport Properties
50%
Ion Diffusivity
50%
Material Failure
50%
Polymer-based
50%
Propylene Glycol
50%
Cross-linked Polymer
50%
Diacrylate
50%
Failure Properties
50%
Chemistry
Molecular Dynamics
100%
Lithium Ion
100%
Radial Distribution Function
100%
Solid Electrolyte
100%
Ethylene
50%
Ambient Reaction Temperature
50%
Solvation
50%
Diffusivity
50%
Complexation
50%
Elastic Property
50%
Propene
50%
Plasticizer
50%
Reactive Molecular Dynamics
50%
Transport Property
50%
Engineering
Radial Distribution
100%
Battery Component
100%
Equilibration
50%
Room Temperature
50%
Diffusivity
50%
Structural Application
50%
Considered System
50%
Dynamic Force
50%
Ethylene Carbonate
50%
Material Science
Lithium Ion
100%
Solid Electrolyte
100%
Elastic Property
50%
Diffusivity
50%
Complexation
50%
Solvation Structure
50%
Plasticizer
50%
Chemical Engineering
Diffusion
100%
Propylene
100%
Ethylene
100%