Keldysh-Langevin approach to nuclear dynamics in molecular junctions
Preston, Riley (2022) Keldysh-Langevin approach to nuclear dynamics in molecular junctions. PhD thesis, James Cook University.
|
PDF (Thesis)
Download (3MB) | Preview |
Abstract
Riley Preston introduced a model for nuclear dynamics in molecular junctions in which the semi-classical dynamics is cast in the form of a Langevin equation. He used this model to observe novel phenomena such as localised heating, conformational switching in the molecular geometry, and negative viscosities.
| Item ID: | 85252 |
|---|---|
| Item Type: | Thesis (PhD) |
| Keywords: | Molecular junctions, nuclear dynamics, quantum mechanics |
| Related URLs: | |
| Copyright Information: | Copyright © 2022 Riley Preston |
| Additional Information: | Four publications arising from this thesis are stored in ResearchOnline@JCU, at time of processing. Please see the Related URLS. The publications are: [Chapter 4] Preston, Riley J., Kershaw, Vincent F., and Kosov, Daniel S. (2020) Current-induced atomic motion, structural instabilities, and negative temperatures on molecule-electrode interfaces in electronic junctions. Physical Review B, 101. 155415. [Chapter 5] Preston, Riley J., Honeychurch, Thomas D., and Kosov, Daniel S. (2020) Cooling molecular electronic junctions by AC current. Journal of Chemical Physics, 153. 121102. [Chapter 6] Preston, Riley J., Gelin, Maxim F., and Kosov, Daniel S. (2021) First-passage time theory of activated rate chemical processes in electronic molecular junctions. Journal of Chemical Physics, 154. 114108. [Chapter 7] Preston, Riley J., Honeychurch, Thomas D., and Kosov, Daniel S. (2022) Emergence of negative viscosities and colored noise under current-driven Ehrenfest molecular dynamics. Physical Review B, 106 (19). 195406. |
| Date Deposited: | 29 Apr 2025 05:01 |
| FoR Codes: | 51 PHYSICAL SCIENCES > 5102 Atomic, molecular and optical physics > 510201 Atomic and molecular physics @ 60% 51 PHYSICAL SCIENCES > 5108 Quantum physics > 510899 Quantum physics not elsewhere classified @ 20% 51 PHYSICAL SCIENCES > 5104 Condensed matter physics > 510499 Condensed matter physics not elsewhere classified @ 20% |
| SEO Codes: | 28 EXPANDING KNOWLEDGE > 2801 Expanding knowledge > 280120 Expanding knowledge in the physical sciences @ 100% |
| Downloads: |
Total: 2 Last 12 Months: 2 |
| More Statistics |
Actions (Repository Staff Only)
 |
Item Control Page |