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Molecules
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Thermodynamics and Thermal Transport Properties in Nanomaterials
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Thermodynamics and Thermal Transport Properties in Nanomaterials

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Nanochemistry".

Deadline for manuscript submissions: closed (1 October 2019) | Viewed by 11311

Special Issue Editor

Dr. Claudio Melis

E-Mail Website
Guest Editor
Department of Physics, Universita’ degli studi di Cagliari, I-09042 Cagliari, Italy
Interests: first principles; thermal transport; polymeric materials; low dimensional materials; thermoeletric materials; eletronic structure; nanostructured materials
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Over the last decade, the progress obtained in the synthesis and manufacture of nanomaterials has generated the need of a deeper theoretical and experimental elucidation of thermal transport at the nanoscale. From a technological point of view, thermal management has become one of the main limitations preventing a further reduction in the size of nanodevices. Moreover, nanoscale thermal transport plays a crucial role for many classes of devices, such as thermoelectrics and thermal diodes.

In the last few years a lot of progress has been made in theoretical and experimental understanding of thermal transport across a variety of interfaces, systems of reduced dimensionalities and collective phonons. However, there are still many issues that need to be further elucidated, such as anomalous heat transport in low dimensions and phonon hydrodynamics.

This Special Issue will present the most recent advances in this field with the aim of deepening our understanding in the mechanisms ruling thermal transport properties of different nanoscale materials. This includes, atomistic modeling of phonon transport, phonon–phonon interactions, and manipulation of tailored nanoscale materials.

Dr. Claudio Melis
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Theoretical methods for phonon dispersions and phonon transport
  • Thermoelectrics
  • Anomalous thermal transport in low dimensions
  • Thermal transport in organic/inorganic composites
  • Phonon hydrodynamics
  • Thermal transport in two-dimensional materials
  • Novel simulation protocols and methods
  • Nanoscale heat transfer around nanoparticles for biomedical use

Published Papers (3 papers)

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Research

19 pages, 2823 KiB  
Article
Nanoscale Heat Conduction in CNT-POLYMER Nanocomposites at Fast Thermal Perturbations
by Alexander A. Minakov and Christoph Schick
Molecules 2019, 24(15), 2794; https://doi.org/10.3390/molecules24152794 - 31 Jul 2019
Cited by 9 | Viewed by 2769
Abstract
Nanometer scale heat conduction in a polymer/carbon nanotube (CNT) composite under fast thermal perturbations is described by linear integrodifferential equations with dynamic heat capacity. The heat transfer problem for local fast thermal perturbations around CNT is considered. An analytical solution for the nonequilibrium [...] Read more.
Nanometer scale heat conduction in a polymer/carbon nanotube (CNT) composite under fast thermal perturbations is described by linear integrodifferential equations with dynamic heat capacity. The heat transfer problem for local fast thermal perturbations around CNT is considered. An analytical solution for the nonequilibrium thermal response of the polymer matrix around CNT under local pulse heating is obtained. The dynamics of the temperature distribution around CNT depends significantly on the CNT parameters and the thermal contact conductance of the polymer/CNT interface. The effect of dynamic heat capacity on the local overheating of the polymer matrix around CNT is considered. This local overheating can be enhanced by very fast (about 1 ns) components of the dynamic heat capacity of the polymer matrix. The results can be used to analyze the heat transfer process at the early stages of “shish-kebab” crystal structure formation in CNT/polymer composites. Full article
(This article belongs to the Special Issue Thermodynamics and Thermal Transport Properties in Nanomaterials)
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27 pages, 8195 KiB  
Article
Performance Investigation of High Temperature Application of Molten Solar Salt Nanofluid in a Direct Absorption Solar Collector
by M. A. Karim, Owen Arthur, Prasad KDV Yarlagadda, Majedul Islam and Md Mahiuddin
Molecules 2019, 24(2), 285; https://doi.org/10.3390/molecules24020285 - 14 Jan 2019
Cited by 24 | Viewed by 3811
Abstract
Nanofluids have great potential in a wide range of fields including solar thermal applications, where molten salt nanofluids have shown great potential as a heat transfer fluid (HTF) for use in high temperature solar applications. However, no study has investigated the use of [...] Read more.
Nanofluids have great potential in a wide range of fields including solar thermal applications, where molten salt nanofluids have shown great potential as a heat transfer fluid (HTF) for use in high temperature solar applications. However, no study has investigated the use of molten salt nanofluids as the HTF in direct absorption solar collector systems (DAC). In this study, a two dimensional CFD model of a direct absorption high temperature molten salt nanofluid concentrating solar receiver has been developed to investigate the effects design and operating variables on receiver performance. It has been found that the Carnot efficiency increases with increasing receiver length, solar concentration, increasing height and decreasing inlet velocity. When coupled to a power generation cycle, it is predicted that total system efficiency can exceed 40% when solar concentrations are greater than 100×. To impart more emphasis on the temperature rise of the receiver, an adjusted Carnot efficiency has been used in conjunction with the upper temperature limit of the nanofluid. The adjusted total efficiency also resulted in a peak efficiency for solar concentration, which decreased with decreasing volume fraction, implying that each receiver configuration has an optimal solar concentration. Full article
(This article belongs to the Special Issue Thermodynamics and Thermal Transport Properties in Nanomaterials)
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15 pages, 4426 KiB  
Article
Thermal Degradation Characteristic and Flame Retardancy of Polylactide-Based Nanobiocomposites
by Kuruma Malkappa, Jayita Bandyopadhyay and Suprakas Sinha Ray
Molecules 2018, 23(10), 2648; https://doi.org/10.3390/molecules23102648 - 16 Oct 2018
Cited by 24 | Viewed by 4107
Abstract
Polylactide (PLA) is one of the most widely used organic bio-degradable polymers. However, it has poor flame retardancy characteristics. To address this disadvantage, we performed melt-blending of PLA with intumescent flame retardants (IFRs; melamine phosphate and pentaerythritol) in the presence of organically modified [...] Read more.
Polylactide (PLA) is one of the most widely used organic bio-degradable polymers. However, it has poor flame retardancy characteristics. To address this disadvantage, we performed melt-blending of PLA with intumescent flame retardants (IFRs; melamine phosphate and pentaerythritol) in the presence of organically modified montmorillonite (OMMT), which resulted in nanobiocomposites with excellent intumescent char formation and improved flame retardant characteristics. Triphenyl benzyl phosphonium (OMMT-1)- and tributyl hexadecyl phosphonium (OMMT-2)-modified MMTs were used in this study. Thermogravimetric analysis in combination with Fourier transform infrared spectroscopy showed that these nanocomposites release a smaller amount of toxic gases during thermal degradation than unmodified PLA. Melt-rheological behaviors supported the conclusions drawn from the cone calorimeter data and char structure of the various nanobiocomposites. Moreover, the characteristic of the surfactant used for the modification of MMT played a crucial role in controlling the fire properties of the composites. For example, the nanocomposite containing 5 wt.% OMMT-1 showed significantly improved fire properties with a 47% and 68% decrease in peak heat and total heat release rates, respectively, as compared with those of unmodified PLA. In summary, melt-blending of PLA, IFR, and OMMT has potential in the development of high-performance PLA-based sustainable materials. Full article
(This article belongs to the Special Issue Thermodynamics and Thermal Transport Properties in Nanomaterials)
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