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Structure and diffusion in liquid complex hydrides via ab initio molecular dynamics
David E. Farrell
*
,
C. Wolverton
*
Corresponding author for this work
Materials Science and Engineering
Research output
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Contribution to journal
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Article
›
peer-review
6
Scopus citations
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INIS
anions
100%
liquids
60%
range
60%
solids
40%
molecular dynamics method
40%
diffusion
40%
melting points
40%
interactions
20%
connections
20%
ions
20%
mobility
20%
increasing
20%
deformation
20%
density functional method
20%
rotation
20%
mixtures
20%
hydrides
20%
Chemistry
Anion
100%
Liquid
60%
Reaction Temperature
60%
Melting Point
40%
Diffusion
40%
Structure
40%
Molecular Dynamics
40%
Solid
40%
Density Functional Theory
20%
Hydride
20%
Inorganic Ion
20%
Rotation
20%
Mixture
20%
Compound Mobility
20%
Vibration
20%
Material Science
Liquid
40%
Large Deformation
20%
Material
20%
Solid
20%
Mixture
20%