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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Computational and Modeling Challenges in Metals and Alloys for Extreme Environments
Presentation Title Mesoscale Modeling of Deformation Behavior of Fe-based Microstructures at High Strain Rates and under Shock Loading Conditions
Author(s) Ke Ma, Avinash M. Dongare
On-Site Speaker (Planned) Ke Ma
Abstract Scope A novel mesoscale modeling method called quasi-coarse-grained dynamics (QCGD) is used to model the deformation behavior of polycrystalline and deformation-processed ultrafine-grained (UFG) iron microstructures. The QCGD simulations extend the capability of molecular dynamics simulations to the mesoscales by reducing the number of atoms being modeled in an atomic scale microstructure using representative atoms and scaled interatomic potentials. QCGD simulations are carried out to investigate the role of microstructure (with a grain size of up to a few microns) and pre-existing distributions of heterogeneities (dislocations, voids) to mimic deformation processed microstructures on the mesoscale mechanics of these materials during high rate compression and tension. The framework and capabilities of the QCGD simulations, the microstructural evolution (deformation twinning and phase transformation behavior) during high rate deformation behavior of Fe microstructures will be presented. The role of loading conditions and heterogeneities on thresholds for twinning/de-twinning and phase transformation behavior will be discussed.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Mechanical Properties, Phase Transformations

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Thermo-mechanical Model of the Dynamics of Dislocation Fields in Transient Heterogeneous Temperature Fields
Investigation of Role of Interface Microstructure on the Shock Compression and Spall Failure Behavior of Nanoscale Cu/Ta Multiphase Metallic Materials
Lattice Orientation Effect on Intragranular Void Growth in Single- and Poly-crystalline Metals
Mesoscale Modeling of Deformation Behavior of Fe-based Microstructures at High Strain Rates and under Shock Loading Conditions
Modeling of Laser Interactions with BCC Metals Using a Hybrid Atomistic-continuum Approach
Molecular Dynamics Modeling of the Influence of Magnesium Dopants on Grain Boundary Stabilization in Nanocrystalline Aluminum
Multi-scale Simulations of Crystallographic Facet-orientation Dependent Corrosion Behavior in Metallic Alloys
The Microscopic Structure of a Heavily Irradiated Metal
The Role of Precipitates on the Microstructure-sensitive Creep Response of 347H Steel via Crystal Plasticity Simulations
Understanding Interface Properties Through Dislocation Dynamics Simulations in Metallic Nanolaminates

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