Author(s):
1. Muhammad Imran:
Physics Department, Govt College University Faisalabad, Pakistan.
Abstract:
Modeling and simulation play vital role in the study of materials behavior. Molecular dynamics is a versatile simulations technique, based on Newtonian physics to simulate atomic motions, thus reducing the computational complexity. It is a method introduced to analyze the behavior of a material at atomistic scale. It can calculate how a system of particles evolves in time by considering a set of atoms with positions/velocities and the potential energy function of the system. It predicts the next positions of particles over some short time interval by solving Newtonian mechanics. The first part is regarding the detailed introduction to molecular dynamics simulation. The next part will present the application of it to study mechanical and thermal properties of graphene and graphene-metal composites. Results of mechanical properties include the simulation of uniaxial tensile loading and nanoindentation process.
Page(s):
427-427
DOI:
DOI not available
Published:
Journal: Abstract Book on International Conference on Food and Applied Sciences (ICFAS-23) 3-5 August 23, Volume: 0, Issue: 0, Year: 2023
Keywords:
modeling
,
composites
,
Simulation
,
graphene
,
Molecular dynamics
,
thermal conductivity
,
Nanoindentation
References:
References are not available for this document.
Citations
Citations are not available for this document.