Credits: 4 (3-0-2)
Prerequisites: EC 75
Description
Review of continuum mechanics, material symmetry, thermodynamics and constitutive relations, symmetry in crystals, empirical and semi-empirical models of inter-atomic potential, molecular statics and dynamics, finite temperature effects in molecular systems, probabilistic behavior of material characteristics at macro scale, multiscale methods - Cauchy-Born rule and Quasi-continuum method, Mechanics of helical nanostructures (e.g., carbon nanotubes, DNA, polymers), Bending and twisting of nanotubes and nanorods.
Computer Lab contents: Programming molecular statics and molecular dynamics, molecular statics via conjugate gradient minimization and Newton-Raphson method, Monte Carlo simulation, Implementation of Cauchy-Born rule and Quasi-continuum method, Exposure to LAMMPS and AMBER.
Prerequisite Tree
flowchart TD
APL736-59[APL736]
APL736-59 --> EC75-59[EC75]
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