Impact of Lattice Vibrations on Diffusion in Solids
A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Crystal Engineering".
Deadline for manuscript submissions: closed (31 May 2021) | Viewed by 2796
Special Issue Editor
Special Issue Information
Dear Colleagues,
Understanding diffusion in a solid is highly relevant to cutting-edge material science from ionic conductivity in novel battery materials to thin film technology. Diffusion is usually a thermally activated process and, therefore, it is naturally coupled to lattice vibrations through the attempt frequency. Moreover, vibrations also cause the energy landscape and the potential barriers to be time-dependent. In addition, phonon instability can drive phase transitions and thereby facilitate migration processes.
Material manipulations, such as doping and nano-structuring, including surface treatment, are common tools of material design with a practically infinite number of possibilities. Therefore, computational screening and machine learning are extremely useful methods for both looking for new classes of materials with the desired properties and optimizing them. Experimental techniques, on the other hand, are needed to validate those predictions and verify the assumptions. However, rapid progress relies on our understanding of structure/dynamics and property relations.
With this Special Issue, we aim to provide an interdisciplinary collection of studies on the impact of lattice vibrations on diffusion in solids (ranging from highly important to negligible), which may pave the way to future applications. We would like to bring the ideas and tools of physicists closer to the practical world of material scientists. Therefore, we invite the submission of original research articles and high-quality reviews that describe complex topics and phenomena in a way that non-specialists can understand.
Dr. Fanni Jurányi
Guest Editor
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Keywords
- Phonons, lattice dynamics, vibrations, softening
- Anharmonicity and polarons
- Energy barriers, Arrhenius’ law, and entropy
- Diffusion, ionic conductivity, migration, jumps, and rotation
- Collective and correlated motions
- Mean square displacement and velocity auto-correlation
- Vacancy, defects, interstitial, and surface reconstruction
- Dimensionality, symmetry, distortion, orientation
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