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Meeting 2018 TMS Annual Meeting & Exhibition
Symposium Algorithm Development in Materials Science and Engineering
Presentation Title A Dislocation-based Finite Element Modelling of Hydrogen Embrittlement in High-strength Steel Alloys
Author(s) Amir Abdelmawla, Tarek M. Hatem, Dierk Raabe
On-Site Speaker (Planned) Tarek M. Hatem
Abstract Scope Mechanical properties of many metals are greatly influenced by hydrogen solutes causing a well-known phenomenon of hydrogen embrittlement. Hydrogen atoms affect the dislocation core, materials cohesion, and/or vacancies clustering causing the material capacity for plastic deformation to decrease. Such degradation in performance of metals leads to embrittlement resulting of catastrophic failure in structures. In this research, a physically-based constitutive model is developed to study hydrogen embrittlement in steel alloys. The developed model is an extension for Ghoniem-Matthews-Amodeo (GMA) dislocation-based model in order to predict the constitutive relation in the plastic regime for high strength steel alloys while considering hydrogen effect on plasticity. The proposed physically-based dislocation-density model include the effect of hydrogen solute on dislocation mobility and interaction. The proposed model is implemented on the Finite Element commercial package ABAQUS to model the mechanical behavior of high-strength steel tensile test specimen. The model is validated with experimental data.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Computational Framework for Predicting Failure Behavior of 2D Tin+1Cn Materials
A Dislocation-based Finite Element Modelling of Hydrogen Embrittlement in High-strength Steel Alloys
A New Method of Quantifying Solid-solution Hardening at Various Solute Concentrations Using Molecular Dynamics
Accelerated Quantum Molecular Dynamics
Accelerating Materials Simulation by Machine Learning
Algorithmic Extensions to Phase Field Dislocation Dynamics (PFDD) for Fcc and Bcc metals
Algorithms to Simulate the Structure and Mobility of Nanoscale Dislocation Shear Loops via Atomistic Simulations
An Explicit Methodology for Hierarchical Bridging between Ab Initio and Atomistic Scales
Assessment of Heterogeneous Elastic Strains in Polycrystalline Ti-5Al-2.5Sn and Modeling with Taylor Gradient Enhanced Phenomenological Crystal Plasticity Model
Atomistic Cross-scale Simulations of Crystal Plasticity
Atomistically-informed Chemistry Models for Thermo-chemical Degradation of Ablative Composite Materials
Automated Calculation of First-principles Based Diffusion Coefficients in Non-dilute Alloys
Computational Performance of Phase Field Calculations using a Matrix-free (Sum-Factorization) Finite Element Method
Computational Phonon Manipulation
Computing the Lattice Green Function in Complex Materials
Concepts, Data Bases and Analysis Tools for Dislocation Micro Structures Across the Length Scales
Crack-tip Simulation Validations by XGP Multiscale Methods
Data Fusion and Mining of In Situ Monitoring Sensors, Process Modeling, and Defect Characterization in Powder Bed Fusion Additive Manufacturing
Deep Learning and Dynamic Sampling for Smart Data Acquisition in Scanning Electron Microscopy
Developing a Workflow for Process-structure-property Linkage through Monte Carlo and Direct Numerical Simulations
Development and Parameterization of Phase-field-crystal Models
Discrete Dislocation Dynamics Based Polycrystal Plasticity
Divergent Properties from Divergent Microstructures: The Effect of Polycrystal Instantiation Methods on Macroscopic Materials Properties
GPU Accelerated Phase Field Dislocation Dynamics: Application to Bi-metallic Interfaces
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High-throughput Evaluation and Comparison of Classical Interatomic-potentials: Structural, Elastic, Defect, Surface and Phonon Properties
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Large-scale Real-space Electronic Structure Calculations
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Open Source Distributed Tools for Multiscale Modeling of Materials
Ordering and Properties of Pure and Binary Two Dimensional Honeycomb Films
Parallel Algorithms for Hyperdynamics in LAMMPS
Phase Field Approach to Fracture and Interaction of Fracture and Phase Transformation
Plastic Material Spin in Atomistic Simulations
Plasticity Analysis in Molecular Dynamics via Simple Shear Field Decomposition
PyCAC: The Concurrent Atomistic-Continuum Simulation Platform
Rational Design and Parametric Uncertainty Analysis of Classical Interatomic Potentials
Reactive Molecular Dynamics of Electrochemical Processes – Ultrafast Resistance Switching in Electro-metallization Cells
Recent Advances in Polycrystal Plasticity Models and Algorithms: FFT-based and Self-consistent Approaches
Segmentation for Large Datasets of X-ray Microscopes by Using a Deep Convolutional Neural Network
Simulation of Multi-component Microstructure Evolution Coupling Phase Field and Tensor Decomposition Techniques
Three-dimensional Structure and Motion of Defect Loops on the {10-12} Twin Boundary in Magnesium
Three Dimensional Trefftz Voronoi Cell Finite Elements with Cylindrical Elastic/Rigid Inclusions &/or Voids for Micromechanical Modeling of Heterogeneous Materials
Transition State Redox during Dynamical Processes in Semiconductors and Insulators
Using Machine-learning to Create Predictive Material Property Models

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