A generalized thermophysical model for materials from molecular clusters to bulk crystals
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 thro...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English English |
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Elsevier B.V.
2023
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| Online Access: | http://umpir.ump.edu.my/id/eprint/40823/1/A%20generalized%20thermophysical%20model%20for%20materials.pdf http://umpir.ump.edu.my/id/eprint/40823/2/A%20generalized%20thermophysical%20model%20for%20materials%20from%20molecular%20clusters%20to%20bulk%20crystals_ABS.pdf |
| _version_ | 1825815565184270336 |
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| author | Amirul Edham, Roslee Nik Abdullah, Nik Mohamed Thamburaja, Prakash Jose, Rajan |
| author_facet | Amirul Edham, Roslee Nik Abdullah, Nik Mohamed Thamburaja, Prakash Jose, Rajan |
| author_sort | Amirul Edham, Roslee |
| collection | UMP |
| description | 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. |
| first_indexed | 2024-09-25T03:48:30Z |
| format | Article |
| id | UMPir40823 |
| institution | Universiti Malaysia Pahang |
| language | English English |
| last_indexed | 2024-09-25T03:48:30Z |
| publishDate | 2023 |
| publisher | Elsevier B.V. |
| record_format | dspace |
| spelling | UMPir408232024-05-28T08:01:58Z http://umpir.ump.edu.my/id/eprint/40823/ A generalized thermophysical model for materials from molecular clusters to bulk crystals Amirul Edham, Roslee Nik Abdullah, Nik Mohamed Thamburaja, Prakash Jose, Rajan HD Industries. Land use. Labor Q Science (General) T Technology (General) TA Engineering (General). Civil engineering (General) TJ Mechanical engineering and machinery 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. Elsevier B.V. 2023-06-15 Article PeerReviewed pdf en http://umpir.ump.edu.my/id/eprint/40823/1/A%20generalized%20thermophysical%20model%20for%20materials.pdf pdf en http://umpir.ump.edu.my/id/eprint/40823/2/A%20generalized%20thermophysical%20model%20for%20materials%20from%20molecular%20clusters%20to%20bulk%20crystals_ABS.pdf 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) https://doi.org/10.1016/j.physb.2023.414877 https://doi.org/10.1016/j.physb.2023.414877 |
| spellingShingle | HD Industries. Land use. Labor Q Science (General) T Technology (General) TA Engineering (General). Civil engineering (General) TJ Mechanical engineering and machinery Amirul Edham, Roslee Nik Abdullah, Nik Mohamed Thamburaja, Prakash Jose, Rajan A generalized thermophysical model for materials from molecular clusters to bulk crystals |
| title | A generalized thermophysical model for materials from molecular clusters to bulk crystals |
| title_full | A generalized thermophysical model for materials from molecular clusters to bulk crystals |
| title_fullStr | A generalized thermophysical model for materials from molecular clusters to bulk crystals |
| title_full_unstemmed | A generalized thermophysical model for materials from molecular clusters to bulk crystals |
| title_short | A generalized thermophysical model for materials from molecular clusters to bulk crystals |
| title_sort | generalized thermophysical model for materials from molecular clusters to bulk crystals |
| topic | HD Industries. Land use. Labor Q Science (General) T Technology (General) TA Engineering (General). Civil engineering (General) TJ Mechanical engineering and machinery |
| url | http://umpir.ump.edu.my/id/eprint/40823/1/A%20generalized%20thermophysical%20model%20for%20materials.pdf http://umpir.ump.edu.my/id/eprint/40823/2/A%20generalized%20thermophysical%20model%20for%20materials%20from%20molecular%20clusters%20to%20bulk%20crystals_ABS.pdf |
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