Advanced Research on Microstructure Evolution in Crystalline Materials

A special issue of Crystals (ISSN 2073-4352).

Deadline for manuscript submissions: 20 October 2026 | Viewed by 912

Special Issue Editors


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Guest Editor
Karlsruhe Institute for Technology (KIT), Campus North (CN) Bldg, D-76344 Eggenstein-Leopoldshafen, Germany
Interests: phase-field method; continuum thermodynamics; thermomechanics; thermomechanical coupling; extended plasticity models describing scale effects; classical and gradient crystal plastity theory with application in the multiphase-field method; thermodynamic modeling of grain boundaries

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Guest Editor
Institute of Digital Materials Science (IDM), Karlsruhe University of Applied Sciences, Moltkestrasse 30, D-76133 Karlsruhe, Germany
Interests: phase-field modelling; displacive phase transformation processes; chemo-mechanical phase transformation processes in materials; modelling of crack nucleation and propagation in polycrystalline materials

Special Issue Information

Dear Colleagues,

This special issue of Crystals is dedicated to presenting the latest advances in the field of microstructure evolution in crystalline materials. The aim is to provide a comprehensive platform for researchers to share original research, innovative methodologies, and insightful reviews that deepen our understanding of the mechanisms governing microstructure evolution. By bringing together cutting-edge studies, this issue seeks to foster interdisciplinary dialogue and stimulate new directions in both fundamental and applied aspects of microstructural kinetics.

The scope of this special issue encompasses, but is not limited to, the following topics:

  • Theoretical and computational approaches: (i) Development and application of advanced theoretical models to describe microstructure evolution, (ii) Simulation techniques such as molecular dynamics, phase-field modeling, and others for understanding nucleation and morphological evolution, (iii) Bridging scales from atomistic to mesoscale and continuum models to provide comprehensive insights into evolution mechanisms.
  • Fundamental mechanisms: (i) Exploration of atomic and molecular processes governing nucleation, growth rates, and crystal morphology, (ii) Investigation of kinetic pathways and the influence of defects, surfaces, and interfaces on microstructure evolution.
  • Emerging challenges and interdisciplinary perspectives: (i) Addressing unresolved questions and proposing new frameworks for understanding complex kinetic phenomena, (ii) Encouragement of interdisciplinary approaches that combine physics, chemistry, materials science, and engineering to advance the field.

By covering this broad spectrum, the special issue aims to highlight significant breakthroughs, promote the exchange of ideas, and encourage collaborative research efforts that will advance the field of microstructure evolution. Submissions that address emerging challenges, propose novel theoretical or simulative frameworks, or bridge the gap between atomistic, mesoscopic and continuum scales are especially welcome.

Dr. Andreas Prahs
Dr. Daniel Schneider
Guest Editors

Manuscript Submission Information

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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

  • microstructure evolution
  • theoretical modeling
  • computational simulation
  • nucleation mechanisms
  • morphological evolution
 

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Published Papers (1 paper)

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Research

17 pages, 3210 KB  
Article
Supersaturation-Pathway-Controlled Gypsum Crystallization and Morphology: Nucleation- vs. Growth-Dominated Regimes with a Polycarboxylate Superplasticizer
by Faiz M. Kakar, Parichehr Pourattar, Christian Pritzel, Torsten Kowald and Manuela S. Killian
Crystals 2026, 16(4), 241; https://doi.org/10.3390/cryst16040241 - 3 Apr 2026
Viewed by 503
Abstract
Gypsum (CaSO4·2H2O) crystallization is highly sensitive to the supersaturation pathway, which governs the balance between nucleation and crystal growth and ultimately controls growth morphology. In this study, gypsum was synthesized via two contrasting routes—diffusion-controlled crystallization and rapid precipitation—using identical [...] Read more.
Gypsum (CaSO4·2H2O) crystallization is highly sensitive to the supersaturation pathway, which governs the balance between nucleation and crystal growth and ultimately controls growth morphology. In this study, gypsum was synthesized via two contrasting routes—diffusion-controlled crystallization and rapid precipitation—using identical reactant systems to enable a direct comparison of distinct kinetic regimes. A polycarboxylate-based superplasticizer was incorporated to investigate pathway-dependent additive effects. Time-resolved observations reveal that rapid precipitation is characterized by high nucleation density under steep supersaturation, whereas diffusion-controlled crystallization proceeds under gradually increasing supersaturation with restricted nucleation and sustained anisotropic growth. Powder X-ray diffraction confirms the formation of phase-pure gypsum under all conditions. Scanning electron microscopy shows that the presence of the superplasticizer reduces crystal number density and modifies crystal habit in both pathways, although the extent and manifestation of these effects depend strongly on the governing kinetic regime. Under diffusion-controlled conditions, the increasing superplasticizer dosage promotes the transition from elongated to more tabular morphologies, while rapid precipitation results in dense, intergrown aggregates under high supersaturation. Overall, the results demonstrate that the effectiveness of the superplasticizer is not intrinsic but depends on the crystallization pathway. These findings provide new insight into how supersaturation profiles mediate the interplay between additive interactions and growth processes, enabling improved control over gypsum crystal morphology. Full article
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