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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...

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Main Authors: Amirul Edham, Roslee, Nik Abdullah, Nik Mohamed, Thamburaja, Prakash, Jose, Rajan
Format: Article
Language:English
English
Published: Elsevier B.V. 2023
Subjects:
HD Industries. Land use. Labor
Q Science (General)
T Technology (General)
TA Engineering (General). Civil engineering (General)
TJ Mechanical engineering and machinery
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
http://umpir.ump.edu.my/id/eprint/40823/
https://doi.org/10.1016/j.physb.2023.414877
https://doi.org/10.1016/j.physb.2023.414877
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spelling my.ump.umpir.408232024-05-28T08:01:58Z 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
institution Universiti Malaysia Pahang Al-Sultan Abdullah
building UMPSA Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Pahang Al-Sultan Abdullah
content_source UMPSA Institutional Repository
url_provider http://umpir.ump.edu.my/
language English
English
topic HD Industries. Land use. Labor
Q Science (General)
T Technology (General)
TA Engineering (General). Civil engineering (General)
TJ Mechanical engineering and machinery
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
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.
format Article
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
title 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_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_sort generalized thermophysical model for materials from molecular clusters to bulk crystals
publisher Elsevier B.V.
publishDate 2023
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
http://umpir.ump.edu.my/id/eprint/40823/
https://doi.org/10.1016/j.physb.2023.414877
https://doi.org/10.1016/j.physb.2023.414877
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score 13.244109

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