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Nanomaterials
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Nanomechanics, Plasticity and Fracture
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Nanomechanics, Plasticity and Fracture

A special issue of Nanomaterials (ISSN 2079-4991). This special issue belongs to the section "Nanocomposite Materials".

Deadline for manuscript submissions: closed (31 July 2023) | Viewed by 1471

Special Issue Editors

Dr. Haifei Zhan

E-Mail Website
Guest Editor
1. College of Civil Engineering and Architecture, Zhejiang University, Hangzhou 310058, China
2. School of Mechanical Medical and Process Engineering, Queensland University of Technology, Brisbane, QLD 4000, Australia
Interests: nanomechanics; nanoscale thermal transport
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Jianli Shao

E-Mail Website
Guest Editor
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China
Interests: molecular dynamics and coarsening modeling; dynamic deformation and damage of metal; energetic structural metals; metal-based composites
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Nanomaterials and nanostructures have found appealing applications in various fields, such as defense, aerospace, electronics, energy, and biomedicine. To facilitate the engineering implementation, a comprehensive understanding of their mechanical properties and deformation mechanism is usually a prerequisite. Different nanomaterials and nanostructures are currently being investigated through experiments or atomistic simulations, such as low-dimensional nanostructures, nanocomposites, nanofibers, biomaterials, and other nanostructures. The mechanical properties or behaviors of nanomaterials are not only attracting extensive efforts under ambient conditions but also at extreme conditions, such as high temperature or pressure. Currently, there is also great interest in the study of the physical or chemical properties of advanced nanomaterials under mechanical strain, which is emerging as a fascinating and challenging avenue to enable nanomaterials with unique properties. In addition to the nanomateirals and nanostructures, establishing a comprehensive understanding of the atomistic underlying mechanisms for the deformation behavior of engineering materials is also crucial for the design of next-generation high-performance materials.

This Special Issue of Nanomaterials will attempt to cover the most recent advances in “Nanomechanics, Plasticity and Fracture”, concerning not only the mechanical properties, behaviors, and deformation mechanisms of materials down to the nanoscale but also their novel physical or chemical phenomena or responses, as triggered by mechanical strain.

Dr. Haifei Zhan
Prof. Dr. Jianli Shao
Guest Editors

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

  • nanomechanics
  • plasticity
  • fracture
  • mechanical properties
  • mechanical behavior
  • nanostructures
  • nanomaterials
  • nanocomposites
  • biomaterials
  • nanofibers

Published Papers (3 papers)

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Research

16 pages, 3885 KiB  
Article
Unraveling Anisotropy in Crystalline Orientation under Shock-Induced Dynamic Responses in High-Entropy Alloy Co25Ni25Fe25Al7.5Cu17.5
by Yongchao Wu and Jianli Shao
Nanomaterials 2023, 13(17), 2446; https://doi.org/10.3390/nano13172446 - 29 Aug 2023
Viewed by 834
Abstract
Shock-induced plastic deformation and spall damage in the single-crystalline FCC Co25Ni25Fe25Al7.5Cu17.5 high-entropy alloy (HEA) under varying shock intensities were systematically investigated using large-scale molecular dynamics simulations. The study reveals the significant influence of crystalline [...] Read more.
Shock-induced plastic deformation and spall damage in the single-crystalline FCC Co25Ni25Fe25Al7.5Cu17.5 high-entropy alloy (HEA) under varying shock intensities were systematically investigated using large-scale molecular dynamics simulations. The study reveals the significant influence of crystalline orientation on the deformation mechanism and spall damage. Specifically, the shock wave velocities in the [110] and [111] directions are significantly higher than that in the [001] direction, resulting in a two-zone elastic-plastic shock wave structure observed in the [110] and [111] samples, while only a single-wave structure is found in the [001] sample. The plastic deformation is dominated by the FCC to BCC transformation following the Bain path and a small amount of stacking faults during the compression stage in the [001] sample, whereas it depends on the stacking faults induced by Shockley dislocation motion in the [110] and [111] samples. The stacking faults and phase transformation in the [001] sample exhibit high reversibility under release effects, while extensive dislocations are present in the [110] and [111] samples after release. Interestingly, tension-strain-induced FCC to BCC phase transformation is observed in the [001] sample during the release stage, resulting in increased spall strength compared to the [110] and [111] samples. The spall strength estimated from both bulk and free surface velocity history shows reasonable consistency. Additionally, the spall strength remains stable with increasing shock intensities. The study discusses in detail the shock wave propagation, microstructure change, and spall damage evolution. Overall, our comprehensive studies provide deep insights into the deformation and fracture mechanisms of Co25Ni25Fe25Al7.5Cu17.5 HEA under shock loading, contributing to a better understanding of dynamic deformation under extreme environments. Full article
(This article belongs to the Special Issue Nanomechanics, Plasticity and Fracture)
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14 pages, 11603 KiB  
Article
The Shock-Induced Deformation and Spallation Failure of Bicrystal Copper with a Nanoscale Helium Bubble via Molecular Dynamics Simulations
by Qi Zhu, Jianli Shao and Pei Wang
Nanomaterials 2023, 13(16), 2308; https://doi.org/10.3390/nano13162308 - 11 Aug 2023
Cited by 1 | Viewed by 997
Abstract
Both the nanoscale helium (He) bubble and grain boundaries (GBs) play important roles in the dynamic mechanical behavior of irradiated nanocrystalline materials. Using molecular dynamics simulations, we study the shock-induced deformation and spallation failure of bicrystal copper with a nanoscale He bubble. Two [...] Read more.
Both the nanoscale helium (He) bubble and grain boundaries (GBs) play important roles in the dynamic mechanical behavior of irradiated nanocrystalline materials. Using molecular dynamics simulations, we study the shock-induced deformation and spallation failure of bicrystal copper with a nanoscale He bubble. Two extreme loading directions (perpendicular or parallel to the GB plane) and various impact velocities (0.5–2.5 km/s) are considered. Our results reveal that the He bubble shows hindrance to the propagation of shock waves at lower impact velocities but will accelerate shock wave propagation at higher impact velocities due to the local compression wave generated by the collapse of the He bubble. The parallel loading direction is found to have a greater effect on He bubble deformation during shock compression. The He bubble will slightly reduce the spall strength of the material at lower impact velocities but has a limited effect on the spallation process, which is dominated by the evolution of the GB. At lower impact velocities, the mechanism of spall damage is dominated by the cleavage fracture along the GB plane for the perpendicular loading condition but dominated by the He bubble expansion and void growth for the parallel loading condition. At higher impact velocities, micro-spallation occurs for both loading conditions, and the effects of GBs and He bubbles can be ignored. Full article
(This article belongs to the Special Issue Nanomechanics, Plasticity and Fracture)
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12 pages, 9879 KiB  
Article
Structural and Mechanical Properties of Doped Tobermorite
by Xiaopeng Li, Hongping Zhang, Haifei Zhan and Youhong Tang
Nanomaterials 2023, 13(16), 2279; https://doi.org/10.3390/nano13162279 - 8 Aug 2023
Viewed by 993
Abstract
As calcium silicate hydrate (C-S-H) is the main binding phase in concrete, understanding the doping behavior of impurity elements in it is important for optimizing the structure of cementitious materials. However, most of the current studies focus on cement clinker, and the doping [...] Read more.
As calcium silicate hydrate (C-S-H) is the main binding phase in concrete, understanding the doping behavior of impurity elements in it is important for optimizing the structure of cementitious materials. However, most of the current studies focus on cement clinker, and the doping mechanism of impurity elements in hydrated calcium silicate is not yet fully understood. The hydrated calcium silicate component is complex, and its structure is very similar to that of the tobermorite mineral family. In this study, the effects of three different dopants (Mg, Sr and Ba) on a representing structure of C-S-H—tobermorite—was systematically explored using densify functional theory (DFT) calculations. The calculations show that Mg doping leads to a decrease in lattice volume and causes obvious structure and coordination changes of magnesium–oxygen polyhedra. This may be the reason why high formation energy is required for the Mg-doped tobermorite. Meanwhile, doping only increases the volume of the Sr- and Ba-centered oxygen polyhedra. Specifically, the Mg-doped structure exhibits higher chemical stability and shorter interatomic bonding. In addition, although Mg doping distorts the structure, the stronger chemical bonding between Mg-O atoms also improves the compressive (~1.99% on average) and shear resistance (~2.74% on average) of tobermorillonite according to the elastic modulus and has less effect on the anisotropy of the Young’s modulus. Our results suggest that Mg doping is a promising strategy for the optimized structural design of C-S-H. Full article
(This article belongs to the Special Issue Nanomechanics, Plasticity and Fracture)
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