Modelling and Mechanical Behaviour of 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: 20 September 2024 | Viewed by 1067

Special Issue Editor


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Guest Editor
School of Allied Health and Life Sciences, St Mary’s University, Twickenham, London, UK
Interests: nanorheology; soft matter; nanomechanics; nanobiophysics; nanotopography; atomic force microscopy; atomic force spectroscopy; Raman spectroscopy
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Special Issue Information

Dear Colleagues,

I am pleased to invite you to contribute to this Special Issue, “Modelling and Mechanical Behaviour of Nanostructured Materials”.

Nanostructured materials are ubiquitous and are used in most, if not all, of the branches of science and technology, such as nanoelectronics, nanophysics, nanobiology, nanobiotechnology, nanophotonics, nano-optics, nanospectroscopy. The success of nanomaterials lies in their unique and very different electronic, magnetic and optical properties compared to those of the bulk materials. The distinctive nanoscopic behaviour of nanostructured materials makes it possible to manipulate the physical properties of materials and, therefore, to control their performance with unprecedented precision and accuracy. Further deepening of our knowledge of the nanomechanical behaviour of nanomaterials is also of paramount importance for refining and implementing farther the applications of nanostructured materials.

This Special Issue aims to showcase the most recent advances in computational modelling and simulation of the mechanical properties of nanomaterials. It also focuses on showing the key role that such theoretical insights play in implementing and further advancing and expanding the applications of nanomaterials to areas covering, but not limited to, nanobiophysics, nanobiophotonics and nanoelectronics, and nanoenergy. Articles on the mathematical modelling of the mechanical behaviour of natural and artificial nanomaterials, as well as smart nano- and meta-materials are also welcome. 

In this Special Issue, original research articles and reviews are welcome. Research areas may include (but are not limited to) the following:

  • Natural and artificial nanomaterials and their mechanical behaviour;
  • Nanomechanical properties of smart nanomaterials and metamaterials;
  • High-performance computational modelling and simulation;
  • Mathematical modelling;
  • Nanoelectronics; 
  • Nanobiophysics;
  • Nanoenergy; 
  • Nanobiophotonics.

I look forward to receiving your contributions.

Dr. Elisabetta Canetta
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. Nanomaterials 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 2900 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

  • artificial nanomaterials
  • smart nanomaterials
  • metamaterials
  • computational modelling: computational simulation
  • mathematical modelling
  • nanoelectronics
  • nanobiophysics
  • nanoenergy
  • nanobiophotonics

Published Papers (1 paper)

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Research

11 pages, 4508 KiB  
Article
The Effect of Impact Load on the Atomistic Scale Fracture Behavior of Nanocrystalline bcc Iron
by Zhifu Zhao, Zhen Wang, Yehui Bie, Xiaoming Liu and Yueguang Wei
Nanomaterials 2024, 14(4), 370; https://doi.org/10.3390/nano14040370 - 16 Feb 2024
Viewed by 777
Abstract
Nanocrystalline metals have many applications in nanodevices, especially nanoscale electronics in aerospace. Their ability to resist fracture under impact produced by environmental stress is the main concern of nanodevice design. By carrying out molecular dynamics simulations under different fast loading rates, this work [...] Read more.
Nanocrystalline metals have many applications in nanodevices, especially nanoscale electronics in aerospace. Their ability to resist fracture under impact produced by environmental stress is the main concern of nanodevice design. By carrying out molecular dynamics simulations under different fast loading rates, this work examines the effect of impact load on the fracture behavior of nanocrystalline bcc iron at an atomistic scale. The results show that a crack propagates with intergranular decohesion in nanocrystalline iron. With the increase in impact load, intergranular decohesion weakens, and plastic behaviors are generated by grain boundary activities. Also, the mechanism dominating plastic deformation changes from the atomic slip at the crack tip to obvious grain boundary activities. The grain boundary activities produced by the increase in impact load lead to an increase in the threshold energy for crack cleavage and enhance nanocrystalline bcc iron resistance to fracture. Nanocrystalline bcc iron can keep a high fracture ductility under a large impact load. Full article
(This article belongs to the Special Issue Modelling and Mechanical Behaviour of Nanostructured Materials)
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