scholarly journals Neural-network assisted study of nitrogen atom dynamics on amorphous solid water – I. adsorption and desorption

2020 ◽  
Vol 499 (1) ◽  
pp. 1373-1384
Author(s):  
Germán Molpeceres ◽  
Viktor Zaverkin ◽  
Johannes Kästner

ABSTRACT Dynamics of adsorption and desorption of (4S)-N on amorphous solid water are analysed using molecular dynamic simulations. The underlying potential energy surface was provided by machine-learned interatomic potentials. Binding energies confirm the latest available theoretical and experimental results. The nitrogen sticking coefficient is close to unity at dust temperatures of 10 K but decreases at higher temperatures. We estimate a desorption time-scale of 1 μs at 28 K. The estimated time-scale allows chemical processes mediated by diffusion to happen before desorption, even at higher temperatures. We found that the energy dissipation process after a sticking event happens on the picosecond time-scale at dust temperatures of 10 K, even for high energies of the incoming adsorbate. Our approach allows the simulation of large systems for reasonable time-scales at an affordable computational cost and ab initio accuracy. Moreover, it is generally applicable for the study of adsorption dynamics of interstellar radicals on dust surfaces.

2015 ◽  
Vol 17 (44) ◽  
pp. 30148-30157 ◽  
Author(s):  
Lionel Amiaud ◽  
Jean-Hugues Fillion ◽  
François Dulieu ◽  
Anouchah Momeni ◽  
Jean-Louis Lemaire

We study the adsorption and desorption of three isotopologues of molecular hydrogen mixed on 10 ML of porous amorphous water ice (ASW) deposited at 10 K.


2003 ◽  
Vol 118 (1) ◽  
pp. 364-372 ◽  
Author(s):  
Z. Dohnálek ◽  
Greg A. Kimmel ◽  
Patrick Ayotte ◽  
R. Scott Smith ◽  
Bruce D. Kay

2011 ◽  
Vol 13 (6) ◽  
pp. 2172-2178 ◽  
Author(s):  
M. Chehrouri ◽  
J.-H. Fillion ◽  
H. Chaabouni ◽  
H. Mokrane ◽  
E. Congiu ◽  
...  

2018 ◽  
Vol 122 (42) ◽  
pp. 24164-24170 ◽  
Author(s):  
Du Hyeong Lee ◽  
Heon Kang

2007 ◽  
Vol 126 (18) ◽  
pp. 181103 ◽  
Author(s):  
Takahiro Kondo ◽  
Hiroyuki S. Kato ◽  
Mischa Bonn ◽  
Maki Kawai

2014 ◽  
Vol 16 (30) ◽  
pp. 16013-16020 ◽  
Author(s):  
Christian Mitterdorfer ◽  
Marion Bauer ◽  
Tristan G. A. Youngs ◽  
Daniel T. Bowron ◽  
Catherine R. Hill ◽  
...  

Amorphous solid water (ASW) is shown to undergo a micropore collapse from cylindrical pores (3D) to lamellae (2D) at >120 K using small-angle neutron scattering.


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