materials-logo

Journal Browser

Journal Browser

Medium-/High-Entropy and Multi-Principal-Element Materials

A special issue of Materials (ISSN 1996-1944).

Deadline for manuscript submissions: closed (30 November 2021) | Viewed by 2769

Special Issue Editor


E-Mail Website
Guest Editor
Institute of Physics of Materials of the Czech Academy of Sciences, Brno, Czech Republic
Interests: computational materials science; multi-scale modelling; solid-state physics and chemistry; magnetism; phase stability and transformations; nanosystems; quantum technologies; quantum computers
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

I am very pleased to see that you, too, are becoming a critically important part of the extensive research activities worldwide that are related to so-called high-entropy alloys (HEAs). In recent years, our understanding of HEAs (containing five or more chemical species) has shifted from the original idea of maximizing the configurational entropy in these materials towards exploring their unexpected complexity—the extent of which continues to be revealed. The recent inclusion of so-called medium-entropy alloys (MEAs) and relaxation of the condition of equiatomic amount of elements have reshaped the entire field, and these materials have become known as multiprincipal element alloys. Importantly, previously unknown and often unprecedented properties continue to be identified in these materials. These cover their functional (e.g., magnetic), mechanical, or other characteristics under different regimes involving, for example, low/high-temperatures, hydrostatic pressures, or other external stimuli. So, there is certainly a lot of space to include your own groundbreaking research!

Regarding this Special Issue, manuscripts reporting your new results and findings related to theoretical calculations and/or experimental examinations of multiprincipal element materials, their functional or structural properties, as well as their structure and defects are most welcome. I am very happy that, together, we will jointly push the current frontiers of knowledge related to multiprincipal element materials into brand new and uncharted territories. Let’s do this, and enjoy the process!

Dr. Martin Friák
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. Materials 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 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

  • multiprincipal element alloys
  • high-/medium-entropy alloys
  • point defects (vacancies, disorder)
  • extended defects (interfaces, surfaces, dislocations, stacking faults, grain boundaries)
  • quantum–mechanical calculations
  • atomistic and continuum modeling
  • characterization and measurements

Published Papers (1 paper)

Order results
Result details
Select all
Export citation of selected articles as:

Research

16 pages, 5773 KiB  
Article
An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn
by Martin Friák, Martina Mazalová, Ilja Turek, Adéla Zemanová, Jiří Kaštil, Jiří Kamarád, Martin Míšek, Zdeněk Arnold, Oldřich Schneeweiss, Monika Všianská, Martin Zelený, Aleš Kroupa, Jana Pavlů and Mojmír Šob
Materials 2021, 14(3), 523; https://doi.org/10.3390/ma14030523 - 22 Jan 2021
Cited by 14 | Viewed by 2109
Abstract
We have performed a quantum-mechanical study of a series of stoichiometric Ni2MnSn structures focusing on pressure-induced changes in their magnetic properties. Motivated by the facts that (i) our calculations give the total magnetic moment of the defect-free stoichiometric Ni2MnSn [...] Read more.
We have performed a quantum-mechanical study of a series of stoichiometric Ni2MnSn structures focusing on pressure-induced changes in their magnetic properties. Motivated by the facts that (i) our calculations give the total magnetic moment of the defect-free stoichiometric Ni2MnSn higher than our experimental value by 12.8% and (ii) the magnetic state is predicted to be more sensitive to hydrostatic pressures than seen in our measurements, our study focused on the role of point defects, in particular Mn-Ni, Mn-Sn and Ni-Sn swaps in the stoichiometric Ni2MnSn. For most defect types we also compared states with both ferromagnetic (FM) and anti-ferromagnetic (AFM) coupling between (i) the swapped Mn atoms and (ii) those on the Mn sublattice. Our calculations show that the swapped Mn atoms can lead to magnetic moments nearly twice smaller than those in the defect-free Ni2MnSn. Further, the defect-containing states exhibit pressure-induced changes up to three times larger but also smaller than those in the defect-free Ni2MnSn. Importantly, we find both qualitative and quantitative differences in the pressure-induced changes of magnetic moments of individual atoms even for the same global magnetic state. Lastly, despite of the fact that the FM-coupled and AFM-coupled states have often very similar formation energies (the differences only amount to a few meV per atom), their structural and magnetic properties can be very different. Full article
(This article belongs to the Special Issue Medium-/High-Entropy and Multi-Principal-Element Materials)
Show Figures

Figure 1

Back to TopTop