Projects and Grants per year
Grants and Contracts Details
Description
Characterizing Hydrogen Sorption and Storage in
One-Dimensional Nanomaterials
Xingsheng Sun
Department of Mechanical and Aerospace Engineering, University of Kentucky
Abstract
The objective of this one-year Research Initiation Awards (RIA) project is to investigate the
sorption of hydrogen (H) by one-dimensional (1D) palladium (Pd) nanomaterials, the spatial
evolution of the resultant lattice distortion and defects, and the e?ects of H2 gas conditions,
specimen size and morphology on the sorption and storage performance. To this end, the main
approach is to develop and validate a three-dimensional, di?usion-deformation coupled
computational model, based on the Di?usive Molecular Dynamics (DMD) framework recently
developed by the PI and collaborators. The project will start with implementing the DMD
framework to unveil the atomistic picture of H adsorption and absorption by 1D Pd
nanostructures over a di?usive time scale. The model and solver will be further adopted to
simulate several experiments regarding hydrogenation of Pd nanorods, thereby verifying the
accuracy of the solver for handling mass transport processes and validating its capability for
predicting H di?usion mechanisms and rates. After validation, comprehensive parametric
studies will be conducted to elucidate the e?ects of H pressure, temperature, and specimen size,
aspect ratio and morphology on both H sorption and lattice deformation, therefore establishing
the causal relationship of (a) the H2 environment and Pd specimen conditions, (b) the H
sorption mechanism and rate, (c) the volume fraction and spatial evolution of defects, and
ultimately (d) the performance of the Pd nanorods for detecting and storing H.
1
Status | Finished |
---|---|
Effective start/end date | 9/1/23 → 8/31/24 |
Funding
- National Aeronautics and Space Administration
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Projects
- 1 Active
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NASA Kentucky Space Grant Consortium Program 2020-2024
Martin, A. (PI), Renfro, M. (CoI) & Smith, S. (CoI)
National Aeronautics and Space Administration
2/4/20 → 2/3/26
Project: Research project