Published June 5, 2024
| Version v2
Poster
Open
Analyzing Rotational and Translational Dynamics of a Supercooled Liquid of Diatomic Molecules
Contributors
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1.
Ohio University
Description
We probe the relaxation dynamics of a liquid of diatomic molecules near the glass-transition temperature. This numerical simulation measures translational and orientational relaxation and introduces a novel time-dependent orientational autocorrelation function.
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novel-autocorrelation-function-for-supercooled-liquid-of-diatomic-molecules.pdf
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(7.9 MB)
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Additional details
Funding
- U.S. National Science Foundation
- Track 1: ACCESS Resource Allocations Marketplace and Platform Services (RAMPS) #2138259
- U.S. National Science Foundation
- Track 2: Customized Multi-tier Assistance, Training, and Computational Help (MATCH) for End User ACCESS to CI 2138286
- U.S. National Science Foundation
- Track 3: COre National Ecosystem for CyberinfrasTructure (CONECT) 2138307
- U.S. National Science Foundation
- Track 4: Advanced CI Coordination Ecosystem: Monitoring and Measurement Services 2137603
- U.S. National Science Foundation
- ACO: An Open CI Ecosystem to Advance Scientific Discovery (OpenCI) 2138296