Special Issue on Molecular Dynamics Simulation of Materials

Submission Deadline: Aug. 30, 2020

This special issue currently is open for paper submission and guest editor application.

Please download to know all details of the Special Issue

Special Issue Flyer (PDF)

  • Special Issue Editor
    • Department of Mechanical Engineering, Dr B R Ambedkar National Institute of Technology Jalandhar, Jalandhar, India
    Guest Editors play a significant role in a special issue. They maintain the quality of published research and enhance the special issue’s impact. If you would like to be a Guest Editor or recommend a colleague as a Guest Editor of this special issue, please Click here to fulfill the Guest Editor application.
    • 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 can be submitted until the expiry of the deadline. Submissions must be previously unpublished and may not be under consideration elsewhere.

    Papers should be formatted according to the guidelines for authors (see: http://www.advinmaterials.org/submission). By submitting your manuscripts to the special issue, you are acknowledging that you accept the rules established for publication of manuscripts, including agreement to pay the Article Processing Charges for the manuscripts. Manuscripts should be submitted electronically through the online manuscript submission system at http://www.sciencepublishinggroup.com/login. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal and will be listed together on the special issue website.

  • Published Papers

    The special issue currently is open for paper submission. Potential authors are humbly requested to submit an electronic copy of their complete manuscript by clicking here.

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