Simulation of Crystallization in Complex Atomic and Particulate Systems
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Macromolecular Crystals".
Deadline for manuscript submissions: closed (20 August 2020) | Viewed by 273
Special Issue Information
Dear Colleagues,
Crystallization plays a key role in many industrial and engineering applications as well as in processes related to life itself. Thus, it is a well-studied phenomenon, but, significant aspects of its nucleation and growth are not fully understood especially at the level of atoms and molecules.
More than 60 years ago, the seminal simulation work of Alder and Wainwright demonstrated, for the first time, that under specific conditions the simplest molecular system, that of hard spheres, crystallizes. Over the last decades, significant advances in simulation algorithms, accompanied by ever-growing computer power, have allowed us to study crystallization and general phase transitions in a large variety of exceedingly complex systems in the bulk, under confinement, at interfaces or on surfaces.
The purpose of the present Special Issue is to host the most recent advances in the computer simulation of crystal nucleation and growth with the intention of highlighting the similarities and differences of the phenomenon as it spans highly diversified atomic and particulate systems. Accordingly, this Special Issue is open to simulation works crossing interdisciplinary fields and coming from different research backgrounds.
Given the focus on the simulation aspects of crystallization, this Special Issue also accepts manuscripts detailing developments in related algorithms and methodologies.
Prof. Dr. Nikos Ch. Karayiannis
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. 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 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 nucleation and growth
- Simulation
- Molecular modeling
- Confinement
- Interface
- Crystallization
- Phase transition
- Entropy-driven ordering
- Energy-driven transition
- Colloids
- Liquid crystal
- Protein
- Crystal structure
- Crystal morphology
- Amorphous substrate
- Nanocrystalline film
- Machine learning
