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Special Issue "Molecular Dynamics in Nanomaterials and Nanofluids"
Deadline for manuscript submissions: closed (15 October 2019).
Institute of Chemical Engineering Sciences, Foundation for Research and Technology-Hellas (FORTH/ICE-HT), Stadiou Str., Platani P.O.Box 1414 GR-26504 Patras, Hellas, Greece
Interests: nanomaterials; porous materials; nanofluids; low-dimensional materials; composite/mixed matrix membranes; flow, mass and thermal transport processes; sorption; atomistic simulations; DSMC simulations; lattice-Boltzmann
In recent years, atomistic computational approaches have emerged as vital tools to enable advances in materials by designing a priori new or improved materials, as well as finding novel or optimized properties in different classes of materials. New candidate structures can be designed and screened through simulations, ahead or even instead of costly and time-consuming experimental synthesis and characterization techniques. The performance of several modern types of materials, like nanofluids, nanopore structures, nanofillers, and low-dimensional nanomaterials, is controlled by phenomena at the nanoscale that can be elucidated by molecular dynamics simulations. Depending on the application or on the peculiarities of the internal structure geometry and topology, molecular dynamics can be further developed or combined, within a more general framework of simulations, with temperature-programming or simulated annealing, Lattice-Bolzmann, Direct Simulation Monte Carlo, kinetic Monte Carlo, meshless methods, or studies of the dynamics of nanoparticles from the view of Lagrangian description. These techniques are notable examples of computational tools for the effective simulation of several transport or surface interaction phenomena, including mass and heat transport, sorption, flow associated with a range of applications, including separation and purification processes, energy storage, energy conversion, improved cooling performance, etc.
It is my pleasure to invite colleagues to submit original research papers or short communications on recent developments in molecular dynamics and numerical techniques within the general field of nanoscale simulations that can help elucidate important properties of nanomaterials or nanoparticle suspensions and predict their behavior in modern application environments.
Dr. Vasilis N. Burganos
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 1800 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.
- Atomistic modeling
- 2D layered nanomaterials
- 1D nanomaterials