Amirul Edham, Roslee and Nik Abdullah, Nik Mohamed and Thamburaja, Prakash and Jose, Rajan (2023) A generalized thermophysical model for materials from molecular clusters to bulk crystals. Physica B: Condensed Matter, 659 (414877). pp. 1-11. ISSN 0921-4526. (Published)
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Abstract
Evolution of properties of bulk materials from its molecular clusters has been a relatively unexplored topic. In this article, we present a generalized model for total thermal energy and heat capacity of solids by considering that a bulk solid is evolved from zero-dimensional molecular clusters through one-dimensional wires and two-dimensionalquantum sheets. The basic difference among these structures is shown to be the phonon density of states, which is continuous (unconfined) in a bulk solid, whereas it is confined in one, two, and three dimensions in QSs, QWs, and QDs, respectively. Considering a semi-empirically derived phonon density of states and the total unconfined and quantum confined dimensions in these structures, we arrived at a generalized equation. The generalized equation fits well to many experimental heat capacities including palladium and nickel nanoparticles, single-walled carbon nanotubes, and cadmium selenide quantum dots with high degree of accuracy (R2 > 0.99). This close agreement between experiments and the generalized equation derived herewith provide promising directions to understand the evolution of bulk properties of materials.
| Item Type: | Article |
|---|---|
| Additional Information: | Indexed by Scopus |
| Uncontrolled Keywords: | Heat capacity; Materials science; Quantum confined structures; Thermochemical modelling; Thermophysical properties |
| Subjects: | H Social Sciences > HD Industries. Land use. Labor Q Science > Q Science (General) T Technology > T Technology (General) T Technology > TA Engineering (General). Civil engineering (General) T Technology > TJ Mechanical engineering and machinery |
| Faculty/Division: | Faculty of Industrial Sciences And Technology Institute of Postgraduate Studies Faculty of Mechanical and Automotive Engineering Technology |
| Depositing User: | Mr Muhamad Firdaus Janih@Jaini |
| Date Deposited: | 28 May 2024 08:01 |
| Last Modified: | 28 May 2024 08:01 |
| URI: | http://umpir.ump.edu.my/id/eprint/40823 |
| Download Statistic: | View Download Statistics |
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