Molecular Dynamics Simulation of Materials :: Special Issue

Special Issue Submission Closed

Molecular Dynamics Simulation of Materials

01About This Special Issue

The special issue will focus on:

Molecular dynamics simulation of polymers, metals, ceramics based composites
Multi-scale modeling of materials
Bridging the gap between macro and nano scales
Prediction of mechanical, thermal and optical properties of materials using molecular dynamics
Comparison of different reinforcements at the nano-scale
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:

Molecular dynamics
Composites
Mechanical properties
Multi-scale modeling
Thermal properties of materials using molecular dynamics
Computational modeling

02Meet the Guest Editors

Our distinguished editors bring deep subject-matter expertise to curate high-quality research and ensure a rigorous peer-review process.

Lead Guest Editor

Sumit Sharma

Department of Mechanical Engineering, Dr BR Ambedkar National Institute of Technology Jalandhar, Jalandhar, India

Guest Editor

Dr Tabassum Sadik

Professor,Higher College of Technology, Muscat, Oman

Guest Editor

Muhammad Bilal Khan

Department of Mechanics , Beijing Institute of Technology, Beijing, China

Guest Editor

Mohammed Abdulrazaq

Faculty of Information Science and Engineering, Management and Science University, Shah Alam, Malaysia

Guest Editor

Amit Bansal

Department of Mechanical Engineering, I K Gujral Punjab Technical University Jalandhar, Jalandhar, India

Guest Editor

Rajasekhar Dondapati

Department of Mechanical Engineering, Lovely Professional University Phagwara, Phagwara, India

Guest Editor

Manish Dhawan

Department of Mechanical Engineering, Lovely Professional University Phagwara, Phagwara, India

Guest Editor

Pramod Rakt Patel

Department of Mechanical Engineering, Dr B R Ambedkar National Institute of Technology Jalandhar, Jalandhar, India

Guest Editor

Pramod Kumar

Department of Mechanical Engineering, Dr B R Ambedkar National Institute of Technology Jalandhar, Jalandhar, India

Guest Editor

SP Singh

Department of Mechanical Engineering, IIT Delhi, Delhi, India

Advances in Materials