Special Issue "Computational Modeling and Simulations of Carbon Nanomaterials"
A special issue of Nanomaterials (ISSN 2079-4991).
Deadline for manuscript submissions: closed (10 December 2016).
Interests: computational nanomechanics, computational nanomaterials. bio/inorganic interfaces, modeling and simulations.
Special Issues and Collections in MDPI journals
2. Department of Engineering Mechanics, Shanghai Jiaotong University, Shanghai 200240, China
Interests: mechanics of nanomaterials and nanostructures; nanoscale friction; nanoscale actuation and energy conversion
The complex and intriguing mechanical/physical properties of polymeric materials, originating from multiple spatial and temporal scales, call for advanced multiscale computational techniques in order to account for all important mechanisms in polymers.
Recent decades have witnessed an explosion of research into the physical, mechanical, electrical, and chemical properties of carbon-based nanomaterials, since the discovery of carbon nanotubes (CNTs) by Iijima in 1991. Carbon nanomaterials offer unique advantages in a wealth of applications such as sensors, electronics, composites, catalysts, energy storage, etc. due to its excellent high surface-volume ratio, high electrical conductivity, chemical stability, and strong mechanical strength. Meanwhile, computational modeling and simulation, such as density function theory, molecular dynamics, and coarse-grained molecular simulations, has been emerging as an indispensable tool to complement and/or guide experiments in this carbon nanomaterials field.
This Special Issue is dedicated to recent research advances in computational modeling and theoretical analysis in carbon-based nanomaterials and their relevant applications, irrespective of the properties of interest, and, more specifically, to molecular dynamics methods, coarse-grained methods, finite element methods, and multiscale computational methods in carbon nanomaterials.
Dr. Xianqiao Wang
Prof. Dr. Tienchong Chang
Manuscript Submission Information
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- carbon nanotubes and their derivatives
- graphene and its derivatives
- carbon-nanomaterials sensors and electronics
- carbon-nanomaterials composites and energy storage
- carbon-nanomaterials drug delivery and imaging
- carbon-nanomaterials catalyst and water treatment
- carbon-nanomaterials fabrication and characterization
- carbon-nanomaterials and biomaterials interaction
- density function theory
- molecular dynamics
- coarse-grained molecular dynamics