Multi-Scale Computation-Based Design of Nano-Segregated Polyurea for Maximum Shockwave-Mitigation Performance

Grujicic Mica; Ramaswami S.; S. Snipes J.; Yavari R.; Grujicic Mica; Ramaswami S.; S. Snipes J.; Yavari R.

doi:10.3934/matersci.2014.1.15

AIMS Materials Science

2014, Volume 1, Issue 1: 15-27. doi: 10.3934/matersci.2014.1.15

Previous Article Next Article

Research article Special Issues

Multi-Scale Computation-Based Design of Nano-Segregated Polyurea for Maximum Shockwave-Mitigation Performance

Department of Mechanical Engineering, Clemson University, Clemson SC 29634, USA

Received: 22 November 2013 Accepted: 09 January 2014 Published: 22 January 2014

A multi-length-scale computational analysis is used to carry out the design of polyurea for maximum shockwave-mitigation performance. The computational analysis involves a combined all-atom/coarse-grained molecular-level investigation of shockwave-propagation within polyurea and a finite-element analysis of direct quantification of the shockwave-mitigation capacity of this material as a function of its chemistry (or, more specifically, of its soft-segment molecular weight). The results obtained suggest that the approach employed can correctly identify the optimal chemistry of polyurea and, thus, be of great benefit in the efforts to develop new highly-efficient blastwave-protective materials, in a cost-effective manner.
- Polyurea,
- Materials by design,
- Shockwave mitigation
Citation: Grujicic Mica, Ramaswami S., S. Snipes J., Yavari R.. Multi-Scale Computation-Based Design of Nano-Segregated Polyurea for Maximum Shockwave-Mitigation Performance[J]. AIMS Materials Science, 2014, 1(1): 15-27. doi: 10.3934/matersci.2014.1.15

Related Papers:

Abstract

A multi-length-scale computational analysis is used to carry out the design of polyurea for maximum shockwave-mitigation performance. The computational analysis involves a combined all-atom/coarse-grained molecular-level investigation of shockwave-propagation within polyurea and a finite-element analysis of direct quantification of the shockwave-mitigation capacity of this material as a function of its chemistry (or, more specifically, of its soft-segment molecular weight). The results obtained suggest that the approach employed can correctly identify the optimal chemistry of polyurea and, thus, be of great benefit in the efforts to develop new highly-efficient blastwave-protective materials, in a cost-effective manner.

References

[1]	Castagna AM, Pangon A, Choi T, et al. (2012) The role of soft segment molecular weight on microphase separation and dynamics of bulk polymerized polyureas.Macromol 45: 8438-8444.
[2]	Grujicic M, Yavari R, Snipes JS, et al. (2013) Discrete Element Modeling and Analysis of Structural Collapse/Survivability of a Building Subjected to Improvised Explosive Device (IED) Attack.Adv Mater Sci Appl 2: 9-24.
[3]	Grujicic M, Pandurangan B, He T, et al. (2010) Computational Investigation of Impact Energy Absorption Capability of Polyurea Coatings via Deformation-Induced Glass Transition.Mater Sci Eng A, 527: 7741-7751.
[4]	Grujicic M, Arakere A, Pandurangan B, et al. (2012) Computational Investigation of Shock-Mitigation Efficacy of Polyurea when used in a Combat Helmet: A Core Sample Analysis.Multidisc Model Mater Struc 8: 297-331.
[5]	Grujicic M, Snipes JS, Ramaswami S, et al.Meso-Scale Computational Investigation of Shock-Wave Attenuation by Trailing Release-Wave in Different Grades of Polyurea.J Mater Eng Perform, in press .
[6]	Settles G. (2013) Pennsylvania State University.work in progress .
[7]	Grujicic M, Yavari R, Snipes JS, et al. (2013) Molecular-Level Computational Investigation of Shock-Wave Mitigation Capability of Polyurea.J Mater Sci 47: 8197-8215.
[8]	Grujicic M, Snipes JS, Ramaswami S, et al. (2013) Coarse-Grained Molecular-Level Analysis of Polyurea Properties and Shock-Mitigation Potential.J Mater Eng Perform 22: 1964-1981.
[9]	Sun H, Ren P, Fried JR (1998) The Compass Force-field: Parameterization and Validation for Phosphazenes.Comput Theor Polym Sci 8: 229-246.
[10]	Grujicic M, Bell WC, Pandurangan B, et al. (2010) Blast-wave Impact-Mitigation Capability of Polyurea When Used as Helmet Suspension Pad Material.Mater Des 31: 4050-4065.
[11]	Grujicic A, LaBerge M, Grujicic M, et al. (2012) Potential Improvements in Shock-Mitigation Efficacy of A Polyurea-Augmented Advanced Combat Helmet: A Computational Investigation.J Mater Eng Perform 21: 1562-1579.
[12]	Grujicic M, Olson GB, Owen WS (1985) Mobility of the β1-γ1' Martensitic Interface in Cu-Al-Ni. I. Experimental Measurements.Metall Trans 16A: 1723-1734.
[13]	Grujicic M, Bell WC, Pandurangan B, et al. (2012) Inclusion of Material Nonlinearity and Inelasticity into a Continuum-Level Material Model for Soda-lime Glass.J Mater Des 35: 144-155.
[14]	Grujicic M, Snipes JS, Ramaswami S, et al. (2013) Molecular- and Domain-Level Microstructure Dependent Material Model for Nano-Segregated Polyurea.Multidisc Model Mater Struc 9: 548-578.
[15]	Grujicic M, He T, Pandurangan B, et al. (2011) Development and Parameterization of a Time-Invariant (Equilibrium) Material Model for Segmented Elastomeric Polyureas.J Mater: Des Appl 225: 182-194.
[16]	Grujicic M, d'Entremont BP, Pandurangan B, et al. (2012) A Study of the Blast-induced Brain White-Matter Damage and the Associated Diffuse Axonal Injury.Multidisc Model Mater Struc 8: 213-245.
[17]	Grujicic M, d'Entremont BP, Pandurangan B, et al. (2012) Concept-Level Analysis and Design of Polyurea for Enhanced Blast-Mitigation Performance.J Mater Eng Perform 21: 2024-2037.
[18]	Grujicic M, Pandurangan B (2012) Meso-Scale Analysis of Segmental Dynamics in Micro-phase Segregated Polyurea.J Mater Sci 47: 3876-3889.

Reader Comments

Your name:*

Email:*
© 2014 the Author(s), licensee AIMS Press. This is an open access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0)