Computational Hierarchical Nanomechanics of Self-Assembled Polyurea Aerogels
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.
C. Wu et al., "Computational Hierarchical Nanomechanics of Self-Assembled Polyurea Aerogels," Technical Proceedings of the 2013 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2013, vol. 2, pp. 579-582, Taylor & Francis, Jan 2013.
NSTI Nanotechnology Conference and Expo (2013, Washington, DC)
Civil, Architectural and Environmental Engineering
BASF - the Chemical Company
K and L Gates
Intellectual Property Insurance Services Corporation (IPISC)
Keywords and Phrases
Engineering applications; Failure mechanism; Formation process; Multifunctionality; Polyureas; Self-assembling; Uni-axial compression; United-atom models; Aerogels; Computer simulation; Exhibitions; Fluidics; Mechanical properties; Molecular dynamics; Nanomechanics; Computer Simulations; Molecular Dynamics; Nanomechanics; Polyurea Aerogels
International Standard Book Number (ISBN)
Article - Conference proceedings
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