Modelling Heat and Mass Transfer Phenomena in Nanostructured Materials

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Theory and Simulation of Nanostructures".

Deadline for manuscript submissions: closed (15 October 2023) | Viewed by 1648

Special Issue Editor


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Guest Editor
Department of Energy, Politecnico di Torino, Corso Duca degli Abruzzi 24, 10129 Torino, Italy
Interests: heat and mass transfer; applied thermodynamics; nanotechnology; energy; multi-scale simulations; thermal energy storage
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Special Issue Information

Dear Colleagues,

The distinctive heat and mass transfer characteristics of nanostructured materials are the result of many phenomena occurring at various temporal and spatial scales. Although these novel materials offer precision in performance for specific applications, their complexity in material design also increases. The rapid prediction of these materials' heat and mass transport properties is essential for scaling them from lab to mass production in a variety of sectors. Moreover, tremendous effort in terms of theoretical analyses, experimental measurements, and numerical simulations has been devoted to understanding such complex heat and mass transfer processes.

The Special Issue entitled “Modelling Heat and Mass Transfer Phenomena in Nanostructured Materials” is focused on theoretical and/or numerical research (electronic, atomistic, mesoscopic, continuum, and/or system models) on heat and mass transfer related to the following topics:

  • Fossil energy- and renewable energy-using systems;
  • Energy conversion and storage systems;
  • Heat exchangers;
  • Nanofluids;
  • Air conditioning and refrigeration;
  • Heat transfer enhancement;
  • Thermal insulation.

Original communications, articles, and review articles are welcome. We look forward to your submissions.

Dr. Matteo Fasano
Guest Editor

Manuscript Submission Information

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Keywords

  • heat and mass transfer
  • nanostructure
  • experimental and numerical research
  • theoretical analyses
  • experimental measurements
  • numerical simulations 

Published Papers (1 paper)

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Research

21 pages, 5271 KiB  
Article
Atomistic to Mesoscopic Modelling of Thermophysical Properties of Graphene-Reinforced Epoxy Nanocomposites
by Atta Muhammad, Carlos Sáenz Ezquerro, Rajat Srivastava, Pietro Asinari, Manuel Laspalas, Agustín Chiminelli and Matteo Fasano
Nanomaterials 2023, 13(13), 1960; https://doi.org/10.3390/nano13131960 - 28 Jun 2023
Cited by 3 | Viewed by 1384
Abstract
This research addresses the need for a multiscale model for the determination of the thermophysical properties of nanofiller-enhanced thermoset polymer composites. Specifically, we analyzed the thermophysical properties of an epoxy resin containing bisphenol-A diglyceryl ether (DGEBA) as an epoxy monomer and dicyandiamide (DICY) [...] Read more.
This research addresses the need for a multiscale model for the determination of the thermophysical properties of nanofiller-enhanced thermoset polymer composites. Specifically, we analyzed the thermophysical properties of an epoxy resin containing bisphenol-A diglyceryl ether (DGEBA) as an epoxy monomer and dicyandiamide (DICY) and diethylene triamine (DETA) as cross-linking agents. The cross-linking process occurs at the atomistic scale through the formation of bonds among the reactive particles within the epoxy and hardener molecules. To derive the interatomic coarse-grained potential for the mesoscopic model and match the density of the material studied through atomic simulations, we employed the iterative Boltzmann inversion method. The newly developed coarse-grained molecular dynamics model effectively reproduces various thermophysical properties of the DGEBA-DICY-DETA resin system. Furthermore, we simulated nanocomposites made of the considered epoxy additivated with graphene nanofillers at the mesoscopic level and verified them against continuum approaches. Our results demonstrate that a moderate amount of nanofillers (up to 2 wt.%) increases the elastic modulus and thermal conductivity of the epoxy resin while decreasing the Poisson’s ratio. For the first time, we present a coarse-grained model of DGEBA-DICY-DETA/graphene materials, which can facilitate the design and development of composites with tunable thermophysical properties for a potentially wide range of applications, e.g., automotive, aerospace, biomedical, or energy ones. Full article
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