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Molecular Dynamics Simulation of Materials
Submission DeadlineAug. 30, 2020

Online submission system: http://www.sciencepublishinggroup.com/login

Lead Guest Editor
Department of Mechanical Engineering, Dr B R Ambedkar National Institute of Technology Jalandhar, Jalandhar, India
Guest Editors
  • Amit Bansal
    Department of Mechanical Engineering, I K Gujral Punjab Technical University Jalandhar, Jalandhar, India
  • Rajasekhar Dondapati
    Department of Mechanical Engineering, Lovely Professional University Phagwara, Phagwara, India
  • Manish Dhawan
    Department of Mechanical Engineering, Lovely Professional University Phagwara, Phagwara, India
  • Pramod Rakt Patel
    Department of Mechanical Engineering, Dr B R Ambedkar National Institute of Technology Jalandhar, Jalandhar, India
  • Pramod Kumar
    Department of Mechanical Engineering, Dr B R Ambedkar National Institute of Technology Jalandhar, Jalandhar, India
  • SP Singh
    Department of Mechanical Engineering, IIT Delhi, Delhi, India
Introduction
The special issue will focus on:
  1. Molecular dynamics simulation of polymers, metals, ceramics based composites
  2. Multi-scale modeling of materials
  3. Bridging the gap between macro and nano scales
  4. Prediction of mechanical, thermal and optical properties of materials using molecular dynamics
  5. Comparison of different reinforcements at the nano-scale
  6. Fiber pull-out and interfacial shear stress
Apart from the above, the special issue will focus on use of molecular dynamics simulation for predicting the properties of Li-polymer batteries, use of nanomaterials for water purification, prediction of thermal conductivity of carbon nanotube/graphene/nanoparticle reinforced polymer/metal/ceramic based composites. The contributors will be required to focus on Multiscale modeling of materials.
This Special Issue on “Molecular Dynamics Simulations of Materials” is open to researchers working with Molecular Dynamics at any level. Papers addressing methodological or computational developments on force field effects, full-atom/coarse grained calculations, explicit/implicit treatment of materials, analyses of trajectories, etc., as well as papers reporting applications to diverse molecular systems, interactions, etc., are welcome. Submission of up-to-date review articles is also encouraged. Papers reporting comparison of forcefields, ensembles, etc are welcome. Articles using FEM modeling, meso-scale modeling and molecular dynamics modeling are welcome, if they have compared these approaches.
Aims and Scope:
  1. Molecular dynamics
  2. Composites
  3. Mechanical properties
  4. Multi-scale modeling
  5. Thermal properties of materials using molecular dynamics
  6. Computational modeling
Guidelines for Submission
Manuscripts should be formatted according to the guidelines for authors
(see: http://www.sciencepublishinggroup.com/journal/guideforauthors?journalid=129).

Please download the template to format your manuscript.

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