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Computational Nanomechanics and Multiscale Modeling: Recent Advances and Applications

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Molecular Biophysics".

Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 895

Special Issue Editor

Special Issue Information

Dear Colleagues,

Computational nanomechanics and multiscale modeling have emerged as powerful tools for investigating the mechanical behavior of materials and structures at multiple length scales. This rapidly growing field utilizes advanced numerical methods, such as finite element analysis and molecular dynamics simulations, to study the size-dependent behavior of nano-engineered materials and small-scale structures for the design and optimization of micro- and nano-electro-mechanical systems (MEMS and NEMS).

This Special Issue seeks to showcase innovative contributions to the field. We invite contributions from researchers in the broad field of nanomechanics and multiscale modeling, including, but not limited to, the following topics: static and dynamic models describing the mechanical behavior of one- and two-dimensional nanostructures; characterization of the mechanical behavior of nanoscale materials through computational/theoretical and experimental techniques; mechanics involved in the description of nanocomposite materials; mechanical behavior of nanostructures under the influence of coupling phenomena, such as thermomechanics, nanofluids, piezoelectricity, chemical effects, etc.; multiscale techniques and computational methods used in the modeling of nanostructures; and applications of computational/theoretical models, as well as experiments, of sensors and other applications operating at the nanoscale and beyond.

We welcome innovative contributions that focus on the recent advances in computational nanomechanics and multiscale modeling and their diverse applications. We believe that this Special Issue will provide a platform for researchers and practitioners to share their new findings and insights, as well as to foster collaborative efforts in advancing the field of computational nanomechanics and multiscale modeling.

We look forward to receiving your innovative contributions to this Special Issue.

Dr. Stelios K. Georgantzinos
Guest Editor

Manuscript Submission Information

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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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • nanostructures
  • nanocomposites
  • nanomaterials
  • MEMS/NEMS
  • characterization
  • nanomechanics
  • computational methods
  • finite element analysis
  • molecular dynamics

Published Papers (1 paper)

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Research

19 pages, 4705 KiB  
Article
The Effect of Hole Geometry on the Nonlinear Nanomechanics of γ-Graphyne Structures: A Finite Element Analysis
by Stelios K. Georgantzinos, Sotirios G. Siampanis, Nikolaos Rogkas and Vasilios Spitas
Int. J. Mol. Sci. 2023, 24(19), 14524; https://doi.org/10.3390/ijms241914524 - 25 Sep 2023
Cited by 1 | Viewed by 631
Abstract
Graphyne is a material that has unique mechanical properties, but little is known about how these properties change when the material has holes. In this work, the effect of hole geometry, considering circular, triangle, and rhombus hole configurations, on the mechanical nonlinear response [...] Read more.
Graphyne is a material that has unique mechanical properties, but little is known about how these properties change when the material has holes. In this work, the effect of hole geometry, considering circular, triangle, and rhombus hole configurations, on the mechanical nonlinear response of γ-graphyne structures is studied. Graphyne, graphdiyne, graphyne-3, and graphyne-4 structures are under investigation. An efficient nonlinear finite element analysis (FEA) method is adequately implemented under large deformations for this purpose. The study varied the size and shape of the holes to understand how these changes affect the nanostructure’s mechanical response. The results indicate that the hole geometry significantly impacts the mechanical nonlinear response of γ-graphyne structures. The holes’ size and shape affect the structures’ elastic behavior, deformation, and strength. The findings can be used to optimize the design of γ-graphyne structures for specific mechanical applications. The study highlights the importance of considering the hole geometries in the design and fabrication of these materials. Full article
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