Atomistic and Continuum Methods for Modeling the Structure and Properties of Thin Films
A special issue of Coatings (ISSN 2079-6412). This special issue belongs to the section "Thin Films".
Deadline for manuscript submissions: closed (31 January 2024) | Viewed by 6152
Special Issue Editor
Interests: molecular modeling; thin-film deposition; simulation of thin films' properties; computer-aided drug design
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
We would like to invite you to contribute with original works and reviews to the Special Issue “Atomistic and Continuum Methods for Modeling the Structure and Properties of Thin Films”. Specific electrical, optical and mechanical characteristics of thin films determine their application in science and industry. The structure and properties of thin films essentially depend on the technological conditions of their production. One of the tools for studying these dependencies is mathematical modeling at various levels. To date, many models, both atomistic and continuum, have been developed and used to simulate different technologies of thin film production, characterize their structure at the microscopic level, and calculate their parameters. The methods of the atomistic level, such as molecular dynamics and Monte Carlo, are used for the simulation of the deposition process, studying the structural and mechanical properties of thin films. Optical and electronic characteristics of film-forming materials are studied using the methods of the quantum level. The continuum methods allow us to simulate the processes in the vacuum chamber. The combined approaches are applied, in particular, to study the interaction of laser irradiation with films. The purpose of this Special Issue is to present the latest developments in this field through original scientific articles and reviews.
The topics of interest include but are not limited to:
- Simulation of the different processes of thin film production, including physical and chemical vapor deposition.
- Molecular dynamics and the Monte Carlo simulation of thin film growth.
- Simulation of the glancing angle deposition.
- Simulation of the diffusion and surface processes.
- Interaction of the high-energy particles with matter.
- Defects of the structure.
- Calculation of structural, mechanical and optic parameters of thin films and coatings.
- Atomistic simulation of structure and properties of film-forming materials.
- Simulation of the laser-induced damage in the multilayer transparent coatings.
- Simulation of the stresses in growing films.
- Applying high-performance calculations for modeling the structure and properties of thin films.
Dr. Fedor Vasilievich Grigoriev
Guest Editor
Manuscript Submission Information
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Keywords
- physical vapor deposition
- thin films
- strcuture and properteis of optical coatings
- simulation of film growth
- simulation of coatings deposition
- molecular dynamics and monte carlo simulation
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