NDLI: Using Multiscale Modeling to Predict Material Response of Polymeric Materials

Content Provider	The American Society of Mechanical Engineers (ASME) Digital Collection
Author	Richard, V. Beblo Weiland, Lisa Mauck
Copyright Year	2009
Abstract	Presented is a multiscale modeling method applied to light activated shape memory polymers (LASMP). LASMP are a new class of shape memory polymer (SMP) being developed for applications where a thermal stimulus is undesired. Rotational Isomeric State (RIS) theory is used to build a molecular scale model of the polymer chain yielding a list of distances between the predicted cross-link locations, or r-values. The r-values are then fit with Johnson probability density functions and used with Boltzmann statistical mechanics to predict stress as a function of strain of the phantom network. Junction constraint theory is then used to calculate the stress contribution due to interactions with neighboring chains, resulting in previously unattainable numerically accurate Young’s modulus predictions based on the molecular formula of the polymer. The system is modular in nature and thus lends itself well to being adapted for specific applications. The results of the model are presented with experimental data for confirmation of correctness along with discussion of the potential of the model to be used to computationally adjust the chemical composition of LASMP to achieve specified material characteristics, greatly reducing the time and resources required for formula development.
Sponsorship	Aerospace Division
Starting Page	189
Ending Page	196
Page Count	8
File Format	PDF
ISBN	9780791848968
DOI	10.1115/SMASIS2009-1333
e-ISBN	9780791838570
Volume Number	Volume 1: Active Materials, Mechanics and Behavior; Modeling, Simulation and Control
Conference Proceedings	ASME 2009 Conference on Smart Materials, Adaptive Structures and Intelligent Systems
Language	English
Publisher Date	2009-09-21
Publisher Place	Oxnard, California, USA
Access Restriction	Subscribed
Subject Keyword	Chain Probability Resonance ionization spectroscopy Density Multiscale modeling Stress Young's modulus Shape memory polymers Phantoms Polymer chains Polymers Statistical mechanics Junctions
Content Type	Text
Resource Type	Article

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4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
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