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Meeting 2025 TMS Annual Meeting & Exhibition
Symposium Atomistic Simulations Linked to Experiments to Understand Mechanical Behavior: A MPMD Symposium in Honor of Professor Diana Farkas
Presentation Title Role of Ripplocations and Ripplocation Boundaries on the Deformation of Graphite
Author(s) Kaustubh Sudhakar
On-Site Speaker (Planned) Kaustubh Sudhakar
Abstract Scope This talk focuses on investigating the mechanical response of graphite using molecular dynamics simulations, leveraging the DRIP-REBO potentials. These findings are corroborated by TEM evidence from the literature. The study provides insights into the anisotropic mechanical behavior of graphite, crucial for its applications as a refractory material. The simulations elucidate the atomistic mechanisms governing graphite's response to mechanical stress, paving the way for tailoring its properties through defect engineering or structural modifications.
Proceedings Inclusion? Planned:
Keywords Mechanical Properties, Computational Materials Science & Engineering, Modeling and Simulation

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Combined Experimental-Computational Study of the Compression of Nanoporous Gold Nanoparticles
A Revised Elastic Field of an Edge Dislocation
Atomistic Insights into Microstructural Engineering of High Entropy and Ni-Based Superalloys Thin Films
Atomistic Insights on Orientation-Dependent Deformation Mechanisms in Molybdenum: Single-Crystal Nanowires and Polycrystals
Atomistic Simulation of Dislocation-Obstacle Interactions in Al0.3CoCrFeNi Multi-Principal Element Alloys
Atomistic Simulations on the Dynamic Recrystallisation During High-Velocity Impact In Copper
Characterizing Variants During Phase Transformation and Twinning in BCC Microstructures During Deformation and Unloading
Computational Alloy Design Based on Dislocation Plasticity
Controlling Dislocation Motion and Nanoscale Plasticity in Semiconductors Using Electric Fields and Illumination
CRSS for Slip in Titanium: Theoretical Predictions and In-Situ Experimental Measurements
Design of High-Performance Lightweight High Entropy Alloys Using High-Throughput Method
Development of an Analytical Surface Energy Model for Arbitrary (hkl) Surfaces in FCC and BCC Metals and Alloys
Development of Semi-Empirical Interatomic Potential to Simulate Plastic Deformation in Ni-Co-Cr-Y-O System
Diffusivity and Mechanical Response of Phase Boundaries
Dislocation Slip in bcc Nb from Large-Scale Molecular Dynamics Simulations
Energy Dissipation Mechanisms and Role of Porosity in Shock Loaded Niobium: A Molecular Dynamics Study
Evaluation of Stacking Fault Energies and Microstructure Formation in Ni-Cr-Fe Alloys Using Molecular Statics and Dynamics
Experimental Evidence and First-Principles Verification of the Deformation Behavior of Basal Twist Grain Boundaries in Ti
Finely Tunable Thermal Expansion of NiTi by Stress-Induced Martensitic Transformation and Thermomechanical Training
High Strength and Deformable Intermetallics
Influence of Single- and Multiphase Zinc-Blende and Wurtzite Structures on Thermal Properties of Semiconductors During Ultrafast Melt-Quenching and Deformation
Insights into the Soft Brittle-to-Ductile Transition in BCC Metals Using Multiscale Modeling
Integrating Atomistic Simulations with Experimental Characterization to Understand Dislocation Mechanisms in Nanoscale Dual-Phase Alloys
Investigating the Pressure-Temperature States During Shock Compression and Shock Release in Metals Using Molecular Dynamics Simulations
Local Phase Transformation Strengthening in Ni-Base Superalloys
Mechanistic Transitions Governing Strength and Stability in Grain Boundary Segregation Strengthened Nanocrystalline Aluminum Alloys
Mobile Dislocation Mediated Hall-Petch and Inverse Hall-Petch Behaviors in Nanocrystalline Al-Doped Boron Carbide
Molecular Dynamics Simulation of Fatigue Crack Propagation in Aluminum and Steel Dissimilar Joints
Molecular Dynamics Simulation Study on the Phase Transformation Behaviors of Additively Manufactured Shape-Memory Alloys
Multimodal Characterization to Uncover Complex Phase Evolution and Order in High Entropy Alloys
Multiscale Models for Materials at Extreme Conditions Using Physics-Informed Machine Learning
Role of Microstructure and Strength on the Development of Slip Localizations in Polycrystals
Role of Ripplocations and Ripplocation Boundaries on the Deformation of Graphite
Self-Healing by Amorphous Shear-Band Recovery in Crystalline Al-Sm Materials
Short-Range Order Hardening and Enhanced Tensile Ductility in Nanocrystalline Ag by Intercalation of Amorphous Ni-Rich Nanolayers
Simulation of Grain Growth with Molecular Dynamics Using Converted Experimental Data
Simulation vs. Experiment: The Limits of Predictive Models for Microstructural Evolution
Solid State Dewetting of Co-Sputtered Thin Mo-Cu Films Accompanied by Phase Separation
Spall Strength of Pure Solids on the Periodic Table and Its Correlation with Known Thermomechanical Properties
Stability of High Energy Faults in Ni-Based Superalloys
The Impact of Initial Grain Boundary Structure on the Properties of Irradiated Materials
The Intrinsic Ductile-Brittle Transition in Metals and Alloys
The Origin of Photo Plasticity in ZnS
Transformation-Assisted Twin Nucleation in Metals
Twin Boundary Engineering in Ni-Based Superalloy Thin Films
Understanding the Fundamental Fracture Behavior in NbMoTaW and NbTaTiHf
Universal Interatomic Potential and Simulation of Kinetics
Unravel Failure Mode in Garnet-Type Solid Electrolytes from Atomistic Simulations
Virtual Diffraction as a Method to Bridge Atomistic and Mesoscale Simulations with Experiments
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