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"NASA Technical Reports Server (NTRS) 20220004685: Simulating The Diffusion Of Hydrogen In Amorphous Silicates: A ‘Jumping’ Migration Process And Its Implications For Solar Wind Implanted Lunar Volatiles" and the language of the book is English.


“NASA Technical Reports Server (NTRS) 20220004685: Simulating The Diffusion Of Hydrogen In Amorphous Silicates: A ‘Jumping’ Migration Process And Its Implications For Solar Wind Implanted Lunar Volatiles” Metadata:

  • Title: ➤  NASA Technical Reports Server (NTRS) 20220004685: Simulating The Diffusion Of Hydrogen In Amorphous Silicates: A ‘Jumping’ Migration Process And Its Implications For Solar Wind Implanted Lunar Volatiles
  • Author: ➤  
  • Language: English

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  • Internet Archive ID: NASA_NTRS_Archive_20220004685

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We use molecular dynamics (MD) simulations to better explain the movement of atomic\nhydrogen in amorphous silica and quantify the planetary science implications of these findings.\nPrevious MD simulations had a large range of predicted values and did not agree well with\nexperiment. Our simulations sample atomic motion for a longer duration and consider a wider\nrange of temperatures than previous simulations. In contrast to constant atomic motion, the\nhydrogen atoms were shown to undergo random intermittent jumps from one oxygen atom to\nanother, the number of which increase with temperature. Predicted diffusion coefficients had a\nbetter agreement to experimental values than previous MD simulations, suggesting the\nimportance of longer simulation durations for better statistics. The low activation energy and\njumps observed at lunar temperatures do not support the theory of diurnal variations in OH\ncontent for an undamaged amorphous silica surface. Instead, we conclude that energetic solar\nwind impacts can induce two competing atomic hydrogen motion processes in the exposed\nsurface: A prompt effect that induces jumps in the temperature spike volume, but also a long term\neffect of damage in the structure that traps atomic hydrogen. We then use SDTrimSP to\nquantify the damage created during exposure and MD to demonstrate the H retention and\ntrapping near these defects. Damage was shown to be dependent on impact energy, with\ndefects easily retaining implanted hydrogen. MD results like those presented herein on\nunweathered surfaces are therefore most relevant to magnetic anomalies. As a result, we\ndemonstrate the importance of lunar volatile models to account for the damage state of the\nsubstrate when modelling hydrogen diffusion, retention, and subsequent OH/water production.

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