Mathematics of Materials-Environments Interactions

Dear Colleagues,

Various materials are used in the applications day to day, where materials–environments interactions are of primary importance. There are varying scenarios when such interactions are needed and valuable, such as in water treatment and remediation, gas adsorption and separation, and soil remediation. However, there can also be negative examples of such materials–environments interactions. For instance, various materials can be found in humid, marine, and offshore environments, where aging and degradation processes take place.

One such example is the environmental aging of composites. In the state of the art, mainly expensive and long-testing programs are performed to evaluate the environmental durability of a composite. However, the current trend is to replace as much testing as possible with numerical, analytical, and multiscale modeling tools.

This Special Issue aims to be multidisciplinary, involving mathematical and computational aspects of predicting interactions between materials and environments in contact. The fundamental understanding of intermolecular interactions and modeling approaches such as quantitative structure–property relationships (QSPR), molecular dynamics (MD), finite element analysis (FEA), or novel machine learning (ML) tools is of interest. The scope of the Special Issue, however, spans across the whole modeling field, including mathematics, physics, and chemistry-based solutions (analytical, numerical and phenomenological tools).

We invite researchers to contribute to this Special Issue titled “Mathematics of Materials–Environments Interactions”, which is intended to serve as a unique multidisciplinary forum on mathematical, theoretical, computational, and experimental science and engineering.

The potential topics include but are not limited to the following:

• Materials–environments interactions
• Mathematical modeling
• Diffusion
• Swelling
• Thermal expansion
• Water treatment and remediation
• Gas adsorption and separation
• Soil remediation
• Environmental aging
• Degradation
• Modelling
• Kinetics
• Computer modeling
• Multiscale models
• Accelerated aging
• Accelerated testing methodology
• Lifetime prediction
• Composites
• Sorbents
• Quantitative structure–property relationships
• Finite element analysis
• Molecular dynamics
• Machine learning
• Bayesian networks
• Computational property prediction and modeling

Dr. Andrey E. Krauklis
Dr. Kamalakshya Mahatab
Dr. Christian Wolfgang Karl
Guest Editors

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. 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 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.

• materials-environments interactions
• diffusion
• swelling
• thermal expansion
• water treatment and remediation
• gas adsorption and separation
• soil remediation
• environmental aging
• degradation
• modelling
• mathematical modelling
• kinetics
• computer modelling
• multiscale models
• accelerated aging
• accelerated testing methodology
• lifetime prediction
• composites
• sorbents
• quantitative structure–property relationships
• finite element analysis
• molecular dynamics
• machine learning
• Bayesian networks
• computational property prediction and modelling