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Crystals
Special Issues
Pressure-Induced Phase Transformations (Third Edition)
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Pressure-Induced Phase Transformations (Third Edition)

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: closed (25 January 2025) | Viewed by 2125

Special Issue Editors

Prof. Dr. Daniel Errandonea

E-Mail Website
Guest Editor
Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, 46010 València, Spain
Interests: high-pressure; phase transitions; oxides; X-ray diffraction; novel technological materials
Special Issues, Collections and Topics in MDPI journals
Dr. Akun Liang

E-Mail Website
Guest Editor
Centre for Science at Extreme Conditions, School of Physics and Astronomy, University of Edinburgh, Edinburgh EH9 3FD, UK
Interests: high-pressure physics; phase transition; X-ray diffraction; materials synthesis under high pressure

Special Issue Information

Dear Colleagues,

The study of phase transitions in solids under high pressure and high temperatures is a very active research field. Over the last few decades, thanks to the development of experimental techniques and computer simulations, there has been a plethora of important discoveries. Many of the achievements made in recent years affect various research fields, including solid-state physics, chemistry, materials science, and geophysics. They have not only deepened our knowledge on solid-phase transitions but also facilitated a better understanding of melting under compression. This Special Issue investigated the impact of pressure on structural, chemical, and physical properties and several modern discoveries.

This Special Issue on “Pressure-Induced Phase Transformations (Third Edition)” aims to provide a forum used for describing and discussing contemporary achievements. The goal is to give special emphasis to phase transitions and their effects on different physical properties, but other topics in special melting studies are not excluded. Authors are invited to contribute to the Special Issue with articles presenting new experimental and theoretical advances. Contributions discussing the relationships of phase transformations in solids under high pressure, the mechanism of these transformations, and their influence on physical and chemical properties are welcome.

Researchers working on a wide range of disciplines are invited to contribute to this Special Issue. The topics summarized under the keywords given below are not exhaustive. The volume is not only open to original manuscripts, but also to features and short review articles of current hot topics.

Prof. Dr. Daniel Errandonea
Dr. Akun Liang
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. Crystals 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 2100 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

  • high-pressure research
  • phase transitions
  • structural properties
  • transition mechanisms
  • equation of state
  • symmetry breaking
  • melting curves

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Published Papers (2 papers)

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Research

12 pages, 3037 KiB  
Article
Density Functional Theory Study of Lanthanide Monoxides under High Pressure: Pressure-Induced B1–B2 Transition
by Sergio Ferrari and Daniel Errandonea
Crystals 2024, 14(10), 831; https://doi.org/10.3390/cryst14100831 - 25 Sep 2024
Cited by 1 | Viewed by 1022
Abstract
Using density functional theory, we study the influence of hydrostatic pressure on the crystal structure of lanthanide monoxides, focusing on the monoxides formed by the fifteen elements of the lanthanide series, from La to Lu. Calculations are performed using two methods for the [...] Read more.
Using density functional theory, we study the influence of hydrostatic pressure on the crystal structure of lanthanide monoxides, focusing on the monoxides formed by the fifteen elements of the lanthanide series, from La to Lu. Calculations are performed using two methods for the ambient pressure B1 (NaCl type) structure, the general gradient approximation (GGA) and the local density approximation (LDA). Through a systematic comparison with existent experimental data, we find that the first method agrees better with the experiments. In addition, considering other cubic structures previously reported for lanthanide monoxides, as B2 (CsCl type) and B3 (ZnS type), we explore the possibility of the occurrence of pressure-induced phase transitions. Based on the better accuracy of GGA to describe the B1 phase at ambient conditions, we exclusively use GGA for the high pressure study. We find, for the fifteen studied compounds, that, at ambient pressure, the B1 structure is the one with the lowest enthalpy, being therefore the most thermodynamically stable structure. We also determine that, at elevated pressures, all the studied compounds undergo a structural phase transition to the B2 phase. We finally establish the relationship between pressure and volume of the unit cell, along with the associated isothermal equation of state, determining the bulk modulus. Full article
(This article belongs to the Special Issue Pressure-Induced Phase Transformations (Third Edition))
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9 pages, 1598 KiB  
Article
General Trends in the Compression of Glasses and Liquids
by Oliver Tschauner
Crystals 2024, 14(9), 815; https://doi.org/10.3390/cryst14090815 - 17 Sep 2024
Viewed by 650
Abstract
The present work relates the isothermal volumes of silicate glasses and melts to the combined ionic volumes of their chemical constituents. The relation is an extension of a relation that has already been established for crystalline oxides, silicates, alumosilicates, and other materials that [...] Read more.
The present work relates the isothermal volumes of silicate glasses and melts to the combined ionic volumes of their chemical constituents. The relation is an extension of a relation that has already been established for crystalline oxides, silicates, alumosilicates, and other materials that have O2− as a constituent anion. The relation provides constraints on bond coordination, indicates pressure-induced changes in coordination in melts and glasses and interatomic distances, and quantifies the extent of transitory regions in pressure-induced coordination changes. Full article
(This article belongs to the Special Issue Pressure-Induced Phase Transformations (Third Edition))
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