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Meeting Materials Science & Technology 2019
Symposium Integration between Modeling and Experiments for Crystalline Metals: From Atomistic to Macroscopic Scales
Organizer(s) M Arul Kumar, Los Alamos National Laboratory
Irene J Beyerlein, University of California, Santa Barbara
Levente Balogh, Queen's University
Josh Kacher, Georgia Institute of Technology
Caizhi Zhou, Missouri University of Science and Technology
Lei Cao, University of Nevada, Reno
Scope This symposium will provide a platform for researchers working on the state-of-the-art of multiscale modeling of materials, microstructural characterization, and small-scale mechanical testing to understand the mechanical behavior of crystalline metals.

Background and Rationale: The mechanical behavior of crystalline metals strongly depends on microstructure and the evolution of microstructure at different length scales. Examples include changes in crystallography, defect content and distribution, grain morphology, interfaces, and texture. The success behind the development of multiscale predictive model relies on finding and exploiting the synergies between modeling and experiments. In recent years intense efforts have been dedicated to advancing atomistic, micro, meso and macro-scale simulations tools and bridging them to understand the structure-property relationship. Achieving this goal requires a strong connection between models and experimental characterization techniques at different length scales. This symposium aims to encourage scientists/researchers from diverse areas of materials science and engineering to present recent achievements, identify challenges in developing multiscale material models from the atomic scale to the macro scale, and discuss connections with advanced experimental techniques.

The subject areas of the symposium include, but are not limited to:

1. Structural and functional metal systems
2. Dislocations, deformation twins, phase transformation and recrystallization
3. Atomistic modeling
4. Dislocation dynamics and phase field modeling
5. Crystal plasticity models
6. Advanced X-ray/synchrotron and neutron diffraction techniques
7. Advanced microscopy techniques including HR-(S)TEM, HR-EBSD, PED and in-situ TEM and SEM
8. Emphasis on integrating experiments with modeling for guidance/validation
9. Experimentally aided Multi-scale Material Modeling
Abstracts Due 04/05/2019
Proceedings Plan Planned: MS&T all conference proceedings CD

3D TEM characterization of nano-precipitates in a Ni-Ti-Hf shape memory alloy.
A New Method for Calculating Stress Fields Generated from Heterogeneous Plastic Deformation Using High-Energy X-ray Diffraction and Field Dislocation Mechanics
A study on finite deformation of copper crystals using the principles of crystal plasticity
Atomic simulation of dynamic recrystallization initiated by direct grain reorientation at high-angle grain boundary in alpha-titanium
Backtracking 5DOF Grain Boundary Hydrogen Diffusivities in Iron: Experimentation, Localization Techniques, and Inverse Problem Theory
Behaviors of crystalline metals in highly dynamic processes revealed by high-speed synchrotron x-ray experiments
Characterizing glissile dislocation junctions using electron microscopy
Comparison between experiments and modeling for slip transfer across grain boundaries
Computation of Embrittling Potencies of Sulfur for a Range of Nickel Pure Tilt Grain Boundaries via Atomistic Simulation Methods
Coupled experimental and computational studies of amorphous grain boundary complexions
Crystal Plasticity Finite Element Analysis of Commercially Pure Titanium
Crystal plasticity modeling the deformation in nanodomained heterogeneous structures
Decoupling Thermal, Mechanical, and Irradiation Stability Mechanisms in Nanocrystalline Pt Alloys
Development of microstructure-sensitive and mechanism-based modeling tools by integrating experimental characterization with multiscale modeling
Diffuse-interface approach to Modeling Plasticity, Interfacial Sliding and Coherency Loss
Direct Imaging of Chemical Short-range Order and Its Impact on Deformation in Metal Alloys
Discovery of a wide variety of linear complexions in metallic alloys
Dynamical deformation mechanism study on a zirconium alloy by in-situ TEM deformation coupled with 3D dislocation tomography
Enhancing Ductility of Metal-Metal and Metal-Ceramic Multilayered Nanocomposites
Evaluation of van der Waals interactions in uranium phases using density-functional theory (DFT) using the exchange-hole dipole moment (XDM) dispersion correction
Fluctuations in plasticity and the intermittent-to-smooth-transition in microplasticity
Growth of twin embryos by disconnection propagation in Mg: Molecular dynamics and continuum modeling
ICME at the Mesoscale: Computational and Experimental Challenges and Opportunity
Imaging Microplasticity Events by combining High Energy Diffractive Microscopy and Bragg Coherent Diffractive Imaging
Implementing grain boundaries in phase-field dislocation dynamics
Improving ductility of magnesium through reversible phase transformation in bcc Mg/Nb nanolaminates
In-situ mapping of spatially resolved stress fields associated with twinning in bulk HCP crystals
Integrated Computational Materials Engineering of hydrogen embrittlement in High-Hardness-Steel
Integration between modeling and experiments at the micron scale
Interface formation during fco to bcc phase transformation
Investigating active slip planes in tantalum using single crystal experiments and simulations
Investigating the Mechanical Response of 122 Compounds Utilizing Experiments and Modeling
Irradiation defects in Zr alloys: a comparison between transmission electron microscopy and diffraction line profile analysis
Large Scale Molecular Dynamics Simulations of Rapid Directional Solidification of Aluminum Alloys
Linking microscale experiments and modeling to predict macroscale mechanical properties in iron
Linking strongest grain size to underlying deformation mechanisms in nanocrystalline materials
Machine Learning of Phase-field Simulated Microstructures
Mapping Grain Morphology and Orientation by Laboratory Diffraction Contrast Tomography
Mapping of Geometrically Necessary Dislocation Densities Using Electron Backscattering Diffraction
Measurement of the Thermal Expansion of Ti-7Al Using High Energy X-Ray Diffraction Microscopy
Measurements of Plastic Localization in Polycrystalline Materials in Relation to 3D Microstructure
Measuring the multiaxial nature of thermomechanical constitutive relationships of crystalline materials
Mechanical properties of single crystal niobium from uniaxial deformation experiments and crystal plasticity modeling
Micromechanics – Crystal plasticity links for deformation twinning
Microstructural Evolution Simulation for Property Prediction in Solid State Additive Manufacturing
Modeling of two-phase polycrystals using a gradient crystal plasticity theory including dissipative hardening and energetic micro-stress
Modeling Temperature-Dependent Yield Stress of FCC High-Entropy Alloys with Experimental Validation
More than crystal plasticity: Multiphysics in DAMASK
Multiscale modeling and experimental validation of the mechanical properties of alloyed nano foams
Multiscale modeling of the elasto-plastic behavior of architectured and nanostructured Cu-Nb composite wires and comparison with neutron diffraction experiments
Nanoindentation Simulations of Ni-Based Binary Alloys
New Insights into Metallic Alloy Microstructural Evolution by In-situ Characterization
On the Measurement of Dislocations and Dislocation Structures using EBSD and HRSD Techniques
Orientation specific deformation behavior of twins in Mg alloy AZ31
Particle Effect on the Behavior and Spreading Kinetics of a Nano-suspension Drop: MD Simulations
Pattern formation during dewetting of a solid-state thin film – A phase field study
Phase-field simulation of grain growth in thin films
Phase Field Dislocation Dynamics (PFDD) for nanoscale metals
Phase field modeling of the influence of thermo-mechanical conditions on phase transformation in titanium alloys
Stereology of Triple Junctions
Towards Rapid Throughout Measurement of Grain Boundary Properties

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