Computational Hierarchical Nanomechanics of Self-assembled Polyurea Aerogels

Abstract

Polyurea aerogel has found its way in various engineering applications due to its multi-functionality and superior mechanical properties. In this paper, the hierarchical and self-assembling formation process of aerogel is represented by a phcnomenological model. The molecular dynamics of the aerogel is computationally simulated with a united atom model in different scales. This united atom model was validated by comparing the simulated failure mechanisms and mechanical properties in uniaxial compression.

Department(s)

Civil, Architectural and Environmental Engineering

Second Department

Chemistry

Keywords and Phrases

Computer Simulations; Molecular Dynamics; Nanomechanics; Polyurea Aerogels

International Standard Book Number (ISBN)

978-148220584-8

Document Type

Article - Conference proceedings

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2024 Apple Academic Press Inc., All rights reserved.

Publication Date

09 Aug 2013

This document is currently not available here.

Share

 
COinS