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Metals
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Deformation of Metals and Alloys: Theory, Simulations and Experiments—2nd Edition
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Deformation of Metals and Alloys: Theory, Simulations and Experiments—2nd Edition

A special issue of Metals (ISSN 2075-4701). This special issue belongs to the section "Computation and Simulation on Metals".

Deadline for manuscript submissions: 25 March 2025 | Viewed by 1541

Special Issue Editors

Prof. Dr. Roberto G. A. Veiga

E-Mail Website
Guest Editor
Center of Engineering, Modeling and Applied Social Sciences, Federal University of ABC, Santo André 09210-580, Brazil
Interests: first-principles calculations; atomistic simulations; dislocations in metals; strengthening mechanisms in metals and alloys; bulk metallic glasses
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Alejandro Zúñiga

E-Mail Website
Guest Editor
Center of Engineering, Modeling and Applied Social Sciences, Federal University of ABC, Santo André 09210-580, Brazil
Interests: metallic glasses; nanostructured materials; deformation behavior and plasticity of materials; transmission electron microscopy
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Metallic materials have many distinctive properties, the ability to undergo varying degrees of permanent deformation being one of special interest for processing. The cornerstone of studies on the plasticity of metals and their alloys was laid decades ago by eminent scientists such as Nabarro, Orowan, Peierls, and Cottrell, among others. Particularly groundbreaking was their discovery of the fundamental role of dislocations in metal plasticity and the subsequent development of a theory of dislocations. Research on deformation remains extremely important to improve the mechanical properties of existing structural and functional materials and for the design of novel alloys.

This Special Issue is open to theoretical, computational, and experimental studies. To be considered for publication, papers should report fundamental and/or applied research or provide a relevant review of the deformation of metals and alloys. A non-exhaustive list of subjects of potential interest follows:

  • Crystal plasticity at the microscale;
  • Dislocation dynamics and interaction with lattice defects;
  • Twinning;
  • Creep;
  • Severe plastic deformation (SPD) processes;
  • Deformation of solid metallic particles upon high-velocity impact, as in cold spray;
  • Deformation of amorphous alloys (i.e., bulk metallic glasses);
  • Deformation of nanocrystalline metals and alloys;
  • Plasticity at the nanoscale (e.g., plastic deformation of nanoparticles).

Prof. Dr. Roberto G. A. Veiga
Prof. Dr. Alejandro Zúñiga
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. Metals is an international peer-reviewed open access monthly 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 2600 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

  • crystal plasticity
  • metals and alloys
  • dislocation dynamics
  • computer simulations
  • metal processing
  • severe plastic deformation
  • strengthening mechanisms

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Related Special Issue

Published Papers (2 papers)

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Research

14 pages, 2306 KiB  
Article
Dynamic Evolution of Local Atomic Environments in a Cu66Zr34 Bulk Metallic Glass
by Luan de Moraes Pereira, Marcela Bergamaschi Tercini, Alejandro Zúñiga and Roberto Gomes de Aguiar Veiga
Metals 2024, 14(10), 1139; https://doi.org/10.3390/met14101139 - 6 Oct 2024
Viewed by 642
Abstract
This study presents a molecular dynamics (MD) investigation of the evolution of local atomic environments (LAEs) in a Cu66Zr34 bulk metallic glass (BMG), both at rest and under constant shear deformation. LAEs were characterized using Voronoi polyhedra analysis. Even in [...] Read more.
This study presents a molecular dynamics (MD) investigation of the evolution of local atomic environments (LAEs) in a Cu66Zr34 bulk metallic glass (BMG), both at rest and under constant shear deformation. LAEs were characterized using Voronoi polyhedra analysis. Even in the absence of external load, LAEs frequently transformed into one another due to short-ranged atomic position fluctuations. However, as expected, each transition from one polyhedra to another was balanced by the reverse transition, thereby preserving the proportions of the different polyhedra. Cu-centered icosahedral LAEs were observed to preferentially transform into and from <1,0,9,3,0>, <0,1,10,2,0>, and <0,2,8,2,0> LAEs. Upon applying pure shear, the simulation box was first deformed in one direction up to a strain of 25% and then in the opposite direction to the same strain level. Shear deformation induced large nonaffine atomic displacements in the directions parallel to the shear, which were concentrated in specific regions of the BMG, forming band-like regions. From the onset, shear deformation led to the destabilization of Cu-centered icosahedral LAEs, as indicated by more frequent transitions to and from other polyhedra. Unlike other Cu-centered LAEs, icosahedra were also found to be more sensitive to yielding. The destruction of Cu-centered icosahedra was primarily a result of net transformations into <1,0,9,3,0> and <0,2,8,2,0> LAEs in the BMG subjected to pure shear, with a minor contribution of transformations involving the <0,1,10,2,0> polyhedra. Full article
(This article belongs to the Special Issue Deformation of Metals and Alloys: Theory, Simulations and Experiments—2nd Edition)
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12 pages, 16643 KiB  
Article
Structural Relaxation and Delayed Yielding in Cyclically Sheared Cu-Zr Metallic Glasses
by Nikolai V. Priezjev
Metals 2024, 14(9), 984; https://doi.org/10.3390/met14090984 - 29 Aug 2024
Cited by 2 | Viewed by 663
Abstract
The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly annealed Cu-Zr amorphous alloy periodically deformed in a wide range of strain amplitudes at room temperature. It is [...] Read more.
The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly annealed Cu-Zr amorphous alloy periodically deformed in a wide range of strain amplitudes at room temperature. It is found that low-amplitude cyclic loading leads to a logarithmic decay of the potential energy, and lower energy states are attained when the strain amplitude approaches a critical point from below. Moreover, the potential energy after several thousand loading cycles is a linear function of the peak value of the stress overshoot during startup continuous shear deformation of the annealed sample. We show that the process of structural relaxation involves collective, irreversible rearrangements of groups of atoms whose spatial extent is most pronounced at the initial stage of loading and at higher strain amplitudes. At the critical amplitude, the glass becomes mechanically annealed for a number of transient cycles and then yields via the formation of a shear band. The yielding transition is clearly marked by abrupt changes in the potential energy, storage modulus, and fraction of atoms with large nonaffine displacements. Full article
(This article belongs to the Special Issue Deformation of Metals and Alloys: Theory, Simulations and Experiments—2nd Edition)
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