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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Computational Methods and Experimental Approaches for Uncertainty Quantification and Propagation, Model Validation, and Stochastic Predictions
Sponsorship TMS: Computational Materials Science and Engineering Committee
TMS: Chemistry and Physics of Materials Committee
TMS: Integrated Computational Materials Engineering Committee
Richard Hennig, University of Florida
Shawn Coleman, ARL
Jeff Doak, QuesTek Innovations, LLC
Fadi Abdeljawad, Sandia naional Laboratory
Scope Experimental measurements exhibit a certain degree of uncertainty that is described by their precision and accuracy. The same holds true for computational results; because, similarly to the limitation of measuring instruments, all models behind simulation methodologies have limitations. Traditionally, computational approaches, like density functional theory (DFT), empirical energy models, phase field, finite element, etc., have not focused attention to uncertainty, and thus report results without error bars. However in recent years, stochastic computational techniques and data analysis methods have advanced the study of materials in a wide variety of fields. To be interpreted correctly, simulation results obtained using computational methodologies at any length scale need a careful evaluation of their uncertainties. Furthermore, a way to evaluate the predictability of simulation techniques is to validate their findings using other, experimental or computational, approaches.

This symposium will focus on advances in stochastic methods, computational methodology validation, as well as uncertainty evaluation for both experimental and computational approaches at various length scales. The goal of the symposium is to cover these research topics in an interdisciplinary approach, which connects theory and experiment, with a view towards materials applications. There are 4 sessions planned covering:

There are 4 sessions planned covering:
(1) advancements in stochastic methodologies (for material discovery),
(2) validation and uncertainty evaluation for quantum-mechanical and classical approaches,
(3) validation and uncertainty evaluation for finite element and multiscale modeling (effect of chosen constitutive equations, meshing, element types, coupling methods etc.),
(4) experimental techniques for uncertainty evaluation and propagation.
Abstracts Due 07/17/2016
Proceedings Plan Undecided

A Novel Method of Analyzing Constitutive Model Parameters Using Canonical Correlation Analysis
A Statistical FEA Method for Predicting Glass Fracture in Consumer Electronic Products
Advancements in Parameterization and Validation of Empirical Potentials
An Integrated Microstructure Development and Crystal Plasticity Approach with Uncertainty Quantification for Multi-scale Constitutive Model Development.
Automatized Convergence and Error Analyses for High Precision Density Functional Theory Calculations
B-1: Error Reduction in Cross-Sectional Measurements of Materials from Imaged Grayscale Volumes
B-2: Fidelity in Gas Dynamics Simulations
B-3: Numerical Simulation of Ultrasonic Propagation in Calcium Ferrite Melt
B-4: Ab Initio Scaling Laws for the Formation Energy of Interstitial Defect Clusters in Body-centered-cubic Metals
B-5: Coupled Elasto-plastic Self-consistent and Finite Element Crystal Plasticity Modeling: Applications to Sheet Metal Forming Processes
B-6: Finite Element Prediction of Single Particle Cold Spray Impact
B-7: Numerical Simulation of the Mechanical Behavior of Zr-Nb Alloys over a Wide Range of Strain Rates
Community-driven Benchmark Problems for Phase Field Modeling
Density Functionals and the Finite Temperature Properties of Ferroelectric Oxides
Development of Semi-Empirical Potentials Suitable for Simulation of Phase Transformations in Titanium
Evaluation and Comparison of Classical Interatomic Potentials through a User-friendly Interactive Web-interface
Evaluation of Atomistic Potentials for Silicon
Finite Element Analysis of Influence of Phase Distribution and Shape Variation of Phases on Charge Transport in a Dual Phase System
Functional Uncertainty Quantification in Materials Modeling
Hierarchical Multiscale Modeling and Parametric Analysis of Polyvinyl Alcohol/Montmorillonite Nanocomposites
Information-theoretic Tools for Uncertainty Quantification of High Dimensional Stochastic Models
Molecular Dynamics, Dislocation Interactions and Uncertainty
Numerical Simulation of Electomagnetic Field, Flow Field, and Temperature Field in Secondary Cooling Zone of Round Billet under the Impact of Pulsed Magneto-oscillation
Peierls Barrier in Ta-W Alloys: Estimating Aleatory Variability
Quantifying Material Variability and Uncertainty for Welded and Additively-manufactured Structures Using Multiscale A Posteriori Error-estimation Techniques
Quantifying Uncertainty from (Pseudo)potentials for First Principles and Classical Atomistic Simulations
Uncertainty Quantification in Density Functional Theory: Non-intrusive vs. Intrusive Methodologies
Uncertainty Quantification in the Multiscale Simulation of Materials
Uncertainty Quantification of Classical Interatomic Potentials
Uncertainty Quantification, Molecular Dynamics, and the Glass-Transition Temperature of Aerospace Polymers
Using Information Geometry to Relate Parametric Uncertainty and Model Predictivity
Using Metropolis-Hasting Algorithm to Calibrate NiTi Precipitation Model Implemented in MatCalc© Code
Validation and Uncertainty Assessment of Bond-order Potentials for Transition Metals

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