Modeling nonequilibrium dynamics of phase transitions at the nanoscale: Application to spin-crossover
- Creators
- Park, Sang Tae
- van der Veen, Renske M.
Abstract
In this article, we present a continuum mechanics based approach for modeling thermally induced single-nanoparticle phase transitions studied in ultrafast electron microscopy. By using coupled differential equations describing heat transfer and the kinetics of the phase transition, we determine the major factors governing the time scales and efficiencies of thermal switching in individual spin-crossover nanoparticles, such as the thermal properties of the (graphite) substrate, the particle thickness, and the interfacial thermal contact conductance between the substrate and the nanoparticle. By comparing the simulated dynamics with the experimental single-particle diffraction time profiles, we demonstrate that the proposed non-equilibrium phase transition model can fully account for the observed switching dynamics.
Additional Information
© 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). Received 16 March 2017; accepted 24 May 2017; published online 6 June 2017. This work was performed in the laboratories of Professor Ahmed Zewail at the California Institute of Technology, supported by the National Science Foundation (DMR-0964886) and the Air Force Office of Scientific Research (FA9550-11-1-0055) in the Gordon and Betty Moore Center for Physical Biology. We would like to thank Dr. A. Hauser and Dr. A. Tissot (University of Geneva) for providing the sample, the optical data in the supplementary material, and for discussions.Attached Files
Published - 1_2E4985058.pdf
Supplemental Material - enthalpy_supporting.pdf
Files
Name | Size | Download all |
---|---|---|
md5:003db115d895ed964d36a4bf6afaa436
|
473.6 kB | Preview Download |
md5:f1e06d03f32ca304e3181c9bcc00bf35
|
2.2 MB | Preview Download |
Additional details
- PMCID
- PMC5461170
- Eprint ID
- 77968
- Resolver ID
- CaltechAUTHORS:20170606-110222795
- DMR-0964886
- NSF
- FA9550-11-1-0055
- Air Force Office of Scientific Research (AFOSR)
- Gordon and Betty Moore Foundation
- Created
-
2017-06-06Created from EPrint's datestamp field
- Updated
-
2022-03-25Created from EPrint's last_modified field