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Coupled Quantum, Molecular, and Continuum Studies of Graphitic Nanofracture

Description:

We present several multiscale quantum mechanical (QM), molecular mechanical (MM), and continuum mechanical (CM) schemes to study the strength properties of carbon nanotubes (CNTs) and graphene sheets. A bridging domain method based on overlapping domain-decomposition schemes using the Lagrange multipliers field is developed to couple an atomistic domain with a...

Keyword:

Engineering and Mechanical

Subject:

Mechanical Engineering

Creator:

Roopam Khare

Owner:

Scholarly Digital Publishing

Date Uploaded:

09/06/2018

Date Modified:

09/06/2018

Date Created:

2008-04-23

Resource Type:

Dissertation