Thin Films and Coatings: Modeling Meets Experiment
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".
Deadline for manuscript submissions: closed (30 April 2021) | Viewed by 9313
Special Issue Editor
Interests: atomistic modeling; DFT; multiscale/multimethod; coatings; intermetallics; nanoparticles
Special Issues, Collections and Topics in MDPI journals
Special Issue Information
Dear Colleagues,
Recent boosts in computational resources, as well as available methods, have made it possible for modeling to become a significant part of materials science. More and more often, modeling goes a step beyond being only “a reliable trend giver” guiding experiments, and computational results become quantitatively in agreement with experiments on all levels, from semi-empirical continuum models, over large-scale atomistic calculations using molecular dynamics and Monte Carlo methods, down to the electronic structure predictions.
In this Special Issue, we want to demonstrate the symbiosis between modeling and experiments. Contributions that show how modeling can efficiently guide experimental efforts, or how modeling can provide explanations beyond experimental reach are especially welcome.
As materials science is a very broad field, this Special Issue focuses on the field of thin films and coatings. Topics can include (but are not limited) to structural and mechanical properties of thin films, electronic structure and bonding, architecture, alloying, and defect design of superior materials, the kinetics of growth, and/or decomposition or surface-related phenomena.
We welcome original research papers, as well as reviews, covering recent progress and open problems in fields related to thin films and coatings, with a focus on “modeling meeting experimental investigations”.
Dr. David Holec
Guest Editor
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Keywords
- Atomistic modeling
- Density functional theory
- Continuum modeling
- Coatings
- Thin films
- Structural properties
- Thermal stability
- Mechanical properties
- Electronic structure
- Surface kinetics
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