scholarly journals Adsorption of H2 on amorphous solid water studied with molecular dynamics simulations

2020 ◽  
Vol 22 (14) ◽  
pp. 7552-7563 ◽  
Author(s):  
Germán Molpeceres ◽  
Johannes Kästner
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Amorphous Solid ◽  
Adsorption Dynamics ◽  
Amorphous Solid Water ◽  
Solid Water ◽  
Dynamics Simulations

We present a method based on ab initio molecular dynamics to study the adsorption dynamics of adsorbates on interstellar surfaces.

Molecular dynamics simulations of energy dissipation and non-thermal diffusion on amorphous solid water

2018 ◽  
Vol 20 (8) ◽  
pp. 5569-5577 ◽  
Author(s):  
A. Fredon ◽  
H. M. Cuppen
Keyword(s):  
Molecular Dynamics ◽  
Energy Dissipation ◽  
Molecular Dynamics Simulations ◽  
Gas Phase ◽  
Thermal Diffusion ◽  
Amorphous Solid ◽  
Gas Phase Reactions ◽  
Amorphous Solid Water ◽  
Dynamics Simulations ◽  
Dust Grain

Molecules in space are synthesized via a large variety of gas-phase reactions, and reactions on dust-grain surfaces, where the surface acts as a catalyst.

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