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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Dynamic Behavior of Materials X
Presentation Title Shock Compression of Nanocrystalline Boron Carbide from Deep Learning Molecular Dynamics Simulations
Author(s) Qi An, Jun Li
On-Site Speaker (Planned) Qi An
Abstract Scope Understanding the dynamic behaviors of strong ceramics under shock compression is critical for their applications in extreme environments. Here, we develop an accurate machine learning force field (ML-FF) for superhard B4C by training deep neutral network using quantum mechanics simulations. Then we apply this ML-FF to examine the shock response and associated deformation mechanisms of nanocrystalline boron carbide (n-B4C) using large-scale non-equilibrium molecular dynamics simulations. The simulation results suggest that the grain boundary (GB) sliding and amorphization are responsible for the propagation of quasiplastic waves above its Hugoniot elastic limit. At high shock strength, the disintegrated icosahedra initiating from GBs propagate towards internal grains, causing the intragranular amorphous band formation. Our simulation results on shock Hugoniot agree very well with previous experiments. This study explains the shock-induced quasiplastic behaviors of nanocrystalline B4C, providing significant insight into assessing the deformation and damage of nanocrystalline ceramics under shock loading.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Mechanical Properties, Mechanical Properties

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Coupled Twinning and Damage Model Based on the Dislocation Kinetics for Polycrystalline Beryllium Under Shock Loading Conditions
A Porous Crystal Plasticity Finite Element Model for Void Evolution in Aluminum Alloys under Multiaxial Loading
Characterization, Mechanical Behavior, and Failure of Mo-based TZM Alloy
Concurrent Atomistic-Continuum Study of Crack Propagation vs. Dislocation Emission
D-28: Assessing Interface Effects in Shock-Compressed Crystals with Time-resolved Raman Spectroscopy
D-30: Modeling the Evolution of Precipitates Assisted by Pipe Diffusion of Dislocations
Designing Additively Manufactured Lattice Structures to Withstand Uniaxial Short Temporal Width Impulsive Loads Without Yielding
Development of an ML Interatomic Potential for SiC for Extreme Environments
Dislocation Generation in Diamond under Extreme Loading
Dynamic Fracture Response of Cantor-derived Medium Entropy Alloys
Effects of Controlled Porosity on Shock Mitigation in Additively Manufactured 316L Stainless Steel
Effects of Local Length Scales on Estimation of Void Fraction Distribution from X-ray Tomography of Spall Damage in Metallic Samples
Effects of Micro- and Macro-scale Heterogeneities on Spall Failure of Materials
Evaluation of Compound Refractive Lenses during Hypervelocity Impact Experiments
Evaluation of Microstructural Heterogeneity in Cast-cured Explosive Composites
High-strain Rate Deformation Mechanisms in High Entropy Alloys as a Function of Tri-axial Load
Hybrid EAM-RANN Potential for Binary Ti-Al Alloy
Identification of Primary Variables in Multi-grain Simulations for Stress Conditions Leading to Void Nucleation
Identifying the Precursors of Ductile Failure via Void Nucleation and Coalescence
In-situ Full-field Imaging of Hypervelocity Impacts and Shock Compression Deformations Using Time-resolved Raman Spectroscopy
In-situ X-ray Diffraction of Nanolamellar High-entropy Alloys under Shock Compression and Release
Inertial Effects on Dynamic Indentation of Materials
Laser Shock Compression of Diamond, Olivine, and Perovskite
Limited Neural Networks for the Prediction of Shockwave Initiation of Energetic Materials
Local Deformation and Recrystallization during High-velocity Impact of Metallic Particles
Micromechanical Testing of Metals at High Strain Rates and Temperatures
Microstructure Effects on Dynamic Hardness in High Velocity Microparticle Impacts
Modeling Grain Boundary Mediated Plasticity with Massively Parallel Atomistic Simulations
Modeling Shear Fracture at High Strain Rates: Numerical Simulation of Shock-driven Extrusion Test
Multiscale Models for the Mechanical Response of fcc Alloys Under High-strain Rates and Complex Triaxial Loads
Numerical Analysis of Spalling at Micro and Continuum Scales
Numerical Simulation of Shear Band Formation and Fracture in Collapsing Thick-walled Cylinder Experiment
On Critical Thresholds for Dynamic Response of Matter
Pores Collapse and Spall Fracture: A Direct Observation Using Fast X-ray Imaging
Purity Effects on Shock Driven Phase Transformations in Titanium
Rapid Quantification of Dynamic and Spall Strength of Metals Across Strain Rates
Shock Compression of Nanocrystalline Boron Carbide from Deep Learning Molecular Dynamics Simulations
Shock Wave Propagation in Medium and High Entropy Alloys through Moving Window Concurrent Atomistic Continuum Method
Simulating Plastic Flow Near Grain Boundaries with Dislocation Dynamics
Spatial Description of Dislocation Nucleation in the Shock Response of Single-crystalline Aluminum
Strain Rate Effects on Shear-band Behavior in Al-Sm System
The Influence of Microstructure on the Dynamic Shock Response of 1045 Steel
Thermo-mechanical Representation of Adiabatic Shear Banding

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