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Meeting MS&T22: Materials Science & Technology
Symposium Integration between Modeling and Experiments for Crystalline Metals: From Atomistic to Macroscopic Scales IV
Sponsorship TMS Advanced Characterization, Testing, and Simulation Committee
TMS Materials Characterization Committee
TMS: Nanomaterials Committee
Organizer(s) Mariyappan Arul Kumar, Los Alamos National Laboratory
Irene J. Beyerlein, University of California, Santa Barbara
Levente Balogh, Queen's University
Caizhi Zhou, University of South Carolina
Lei Cao, University of Nevada
Josh Kacher, Georgia Institute of Technology
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, functional and nuclear materials
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 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 05/15/2022
Proceedings Plan Planned: At-meeting proceedings

A Blessing in Disguise: Irradiation Damage Helps Slow Down Alloy Corrosion Rate via Oxide Space Charge Compensation Effects
A Grain Boundary Dislocation-density-based Crystal Plasticity Model for FCC Nanocrystalline Metals
A Numerical Study on How Surfaces Bias Relative Slip Family Activity
Alloying Design and Deep Learning Applications for Concentrated and High-entropy-Driven Ni-based Superalloys
Atomistic Modeling of a Nano-precipitate Strengthened Alloy
Atomistic Modeling of Twin Size Effect on the Localization of Cyclic Strain and Fatigue Crack Initiation in CrCoNi Medium-entropy Alloy
Atomistic Simulation of the Effect of Grains Misorientation on the Fatigue Nano-crack Growth in NiTi
Calibration, Validation, and Application of a Digital Twin for a Standard End-chilled Plate Casting
Combinatorial Synthesis and High-throughput Characterization for Alloy Systems
Concurrent Atomistic-continuum Simulation of the Interplay between Dislocations, Phase Transformation, Twinning, and Reverse Phase Transformation in Plastically Deformed Materials
Continuum Dislocation Dynamics-based Full Field Crystal Plasticity Modeling for Characterizing Dislocation Distribution and Boundary Transmission in Polycrystalline Materials
Crystal Plasticity Modeling of Ultrasonic Softening Effect Considering Anisotropy in the Softening of Slip Systems
Defects and the Electron Beam Interaction Volume in Electron Back-scattered Diffraction
Deformation Mechanisms of Hexagonal Close-packed Materials: Modeling and Experimentation
Designing Stable θ'/L12 Co-precipitates in Cast and Additively Manufactured Al-Cu-Mn-Zr Alloys
Direct Comparison of Microstructure-sensitive Fatigue Modeling Results to Situ High-energy X-ray Experiments
Evolution of Metastable Grain Boundaries and Their Tunability under Extreme Conditions
Examination of Computed Aluminum Grain Boundary Structures and Interface Energies that Span the 5D Space of Crystallographic Character
Experimental Data for Casting Process Simulation Validation
Extended Core Structure of Planar Defects and Localized Phase Transformation in Crystalline Solids
First-principles Study on Understanding Point Defects and Impurities in Aluminum
Hybrid Ab Initio-machine Learning Simulation of Dislocation-defect Interactions
In Situ Studies on Room Temperature Deformability of Nanolaminates and Nanocrystalline Intermetallics
Influence of the Cross Slip Based Dynamic Recovery during Plane Strain Compression of Aluminium
Integration of Experiments and Modeling in Polycrystalline Plasticity of Mg-Al Single Phase Alloys
Interactions between Defects and Omega Phase in Ti via Molecular Dynamics and Phase Field Simulations
Investigating Effects of Particles and Voids in Plastic Deformation of Al6061 Using Finite Element Simulations
Leveraging Electron Microscopy to Inform Ab Initio Calculation: Deducing Surface Chemistry and Annealing Conditions from Equilibrium Tungsten Nanoparticle Shapes in Scandate Cathodes
Mapping the Dislocation Density Around a SS316L Weld Using Synchrotron X-ray Diffraction to Validate Finite Element Method Plasticity Modeling
Modeling of the Tension-compression Asymmetry Reduction of ECAPed Mg-3Al-1Zn Through Grain Fragmentation
Modelling of Quenching of Low Alloy Steels
Molecular Dynamics Analysis and Optimization of Ultra High Temperature Ceramic (UHTC) Compositions for Propulsion
Monte Carlo Simulations for Synthetic Microstructure Generation of M23C6 Precipitation in 347H Stainless Steels
Motions in Cylindrical Grain Boundaries
Multi-scale and Multi-physical Model of Defect-driven Plasticity in Nanostructural Metals
Multi-scale Characterization of Monotonic and Cyclic Properties of Ultra-high Strength CrCoNi Medium-entropy Alloy with Heterogeneous Partially Recrystallized Microstructure
Multiscale Modeling of the Microstructural Dependence of Degradation Initiation in Al and Ti
Nanoscale Plasticity in Irradiated Inhomogeneous Alloys
New Insights into the Spatiotemporal Structure of Plastic Flow In hcp Materials by Combination of Advanced In Situ Techniques and Modeling
Predicting Yield Strength in β-NiAl + Cu + VC Triple Nano-precipitate Strengthened Austenitic Steel
Predictive Phase-field Modeling of Nucleation and Growth of β1 Precipitates during Aging of Mg-Nd Alloys
Prisms-plasticity: An Open Source Crystal Plasticity Finite Element Software
Propagation of Uncertainty in Molecular Dynamic Simulations of Polycrystalline Nickel
Role of Dislocations and Deformation Twinning on the High-pressure Phase Transformation in Zirconium
Slip Transmission and Voiding during Slip Band Intersections in Fe70Ni10Cr20 Stainless Steel
Structure and Properties of Pseudo-morphically Transformed bcc Mg in Mg/Nb Multilayer Nanocomposite
Tailoring the Properties of Multi-phase Titanium Through the Use of Correlative Microscopy and Machine Learning
Third Generation Thermodynamic Modelling of the Ga-Mn-Ni System
Understanding Deformability of Entropy Stabilized Refractory Solid Solutions Using Atomistic Modeling
Unexpected Deformation-Induced Martensitic Transformations in Ni-Cr Alloy 625
Validation of Representative Volume Element (RVE) Finite Element Models of Dual Phase Steels Using SEM In-situ Tensile Tests and Digital Image Correlation (DIC)

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