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Meeting 2010 TMS Annual Meeting & Exhibition
Symposium Thermo-Mechanical Response of Molecular Solids: Multi-Resolution Theory, Simulations, and Experiments
Sponsorship The Minerals, Metals and Materials Society
TMS Electronic, Magnetic, and Photonic Materials Division
Organizer(s) Alejandro Strachan, Purdue University
Thomas D. Sewell, University of Missouri-Columbia
Rodolfo Pinal, Purdue University
Chunyu Li, Purdue University
Scope Molecular solids, including molecular crystals, polymers and polymer composites, are playing increasingly important roles in a wide variety of applications ranging from aerospace and automotive to pharmacy and high energy density materials. A predictive and quantitative understanding of the ultimate thermo-mechanical response (e.g. yield, flow, fatigue or fracture) of these materials is still lacking; yet would enable the design of new materials with tailored properties, optimized at the molecular and/or microstructural levels. Such a significant and longstanding challenge is likely to require a synergistic combination of multi-resolution experiments, theory, simulation, and modeling. This symposium will bring together expert theoreticians, simulators, and experimentalists in these areas to address the current state of the art and future possibilities.
Topics of interest include:
Molecular dynamics and coarse grain modeling of ultimate mechanical properties of molecular solids;
Physics-based mesoscale and continuum models of molecular materials;
Methods for sequential and concurrent scale bridging;
Nano-mechanical characterization of molecular solids (e.g. AFM, nanoindentation);
Experimental characterization of the macroscopic response of molecular materials;
Verification, validation, and uncertainty/marginal reliability estimation techniques.
Abstracts Due 11/15/2009
Proceedings Plan Definite: A CD-only volume
PRESENTATIONS APPROVED FOR THIS SYMPOSIUM INCLUDE

Acoustic and Thermal Responses across the Brillouin Zone
Break Down Assessment and Modeling of the Enthalpic Relaxation of Aging Glasses through a Combination of Experiment and Simulation
Carbon Nanotube Adhesion: Myths and Magic
Characterization of Material Response to Indentation Process in Composite Materials
Elastic Deformation Mechanics of Cellulose Nanocrystals
Engineering of the Thermo-Mechanical Response of Molecular Crystals by Solid Solution Impurity Control
Fundamental Processes in a Prototypical Organic Material: Nitromethane
Implications of Dynamic Heterogeneity for Mechanical Behavior of Glassy Polymers
Mechanical Properties of Block Copolymer Self-Assemblies
Mechanical Response of Pharmaceutical and Explosive Molecular Single Crystals
Microstructural Evolution of Molecular Crystals
Microstructure Sensitive Design Framework for Elastic-Plastic Multi-Phase Materials
Molecular Dynamics Simulations of Crosslinked EPON862/DETDA Polymers
Multiscale Coarse-Grain Modeling of Nitromethane and Rdx
Multiscale Modeling of Polymer Modified Colloidal Suspensions
RDX Material Properties Containing Defects
Role Loading Conditions on the Mechanical Response of PMMA From Molecular Dynamics
Shear-Induced Disordering in Small Molecule Organic Crystalline Solid Materials: Modeling, Characterization and Relevance in Pharmaceutical Drug Products
Shock-Induced Subgrain Microstructures as Possible Homogenous Sources of Hot Spots and Initiation Sites in Energetic Polycrystals
Thermal and Elastic Mechanical Properties of Crystalline 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB)
Thermo-mechanical and Spectroscopic (TMS) Analyses of Structural Transformation Produced by Mechanical Processing
Thermodynamic Stability and Formation of Multicomponent Molecular Crystals
Transforming Powder Processibility by Particle Surface Engineering
Unraveling Shock-Induced Chemistry Using Ultrafast Lasers


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