Special Issue "Multiscale Methods and Application to Computational Materials Design"
A special issue of Materials (ISSN 1996-1944).
Deadline for manuscript submissions: closed (15 September 2016).
Interests: 2D materials; DFT/MD simulations; machine learning based potentials; batteries; electrode/anode materials; mechanical/thermal/electronic properties
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Interests: multiphysics multiscale methods for fracture; molecular dynamics; photovoltaic modules and extended finite element methods
Defects like cracks and dislocations evolve at nano scales and influence the macroscopic properties such as strength, toughness and ductility of a material. Molecular Dynamics (MD) simulations promise to reveal the fundamental mechanics of material failure by modeling the atom to atom interactions. However, the computational expense of MD simulations limits its application to engineering problems involving macroscopic cracks and shear bands, which occur at larger length and time scales. Therefore, multiscale methods have been developed bridging different time and length scales. This Special Issue aims at providing a forum on modeling of materials in a multi-scale and multi-physics framework. Contributions on models validation through characterization and testing of materials and systems are also welcome.
Topics of interest include:
- Analytical and computational methods for coupled problems
- Multiscale analytical and computational methods
- Interface constitutive laws in multiphysics
- Fracture mechanics models in multiphysics
- Model validation through testing of materials and systems
- Prediction of macroscopic material properties
However, we are not only restricted to above-mentioned topics, but open to articles in the relevant areas.
Prof. Dr.-Ing. Timon Rabczuk
Dr.-Ing. Pattabhi Budarapu
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 papers will be 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. Materials is an international peer-reviewed open access semimonthly 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 2000 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.
- materials design
- molecular dynamics
- computational methods