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Meeting 2014 TMS Annual Meeting & Exhibition
Symposium Multiscale Approaches to Hydrogen-assisted Degradation of Metals
Presentation Title Effects of Hydrogen Concentration, Dislocation Density and Crystal Size in Deformation of Iron Nano-crystals: A Molecular Dynamics Study
Author(s) Malik Wagih, Yizhe Tang, Tarek M. Hatem, Jaafar A. El-Awady
On-Site Speaker (Planned) Jaafar A. El-Awady
Abstract Scope Hydrogen atoms affect the dislocation core causing the plastic deformation to localize and thus to decrease the material capacity for plastic deformation. Better understanding of the role of hydrogen will lead to reliable computational models that incorporate hydrogen effects and diffusion through dislocation-densities evolution laws. Here we present large scale molecular dynamics simulations of the dislocation-density evolution and surface morphology in pillar like iron nano-crystals. Several nanopillar sizes are modeled having sizes of 20x20x40, 40x40x60 and 100x100x100 nm^3. An initial dislocation network is introduced using the anisotropic displacement field. Hydrogen atoms with different concentrations are randomly distributed in the crystals. The interrelated effects of size, initial dislocation-density, loading direction, and hydrogen concentration are thoroughly investigated. The effect of hydrogen concentration on yielding, retention of dislocations, and the morphology of surface slip is also discussed in details.
Proceedings Inclusion? Planned: Paper Selections

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Re-examination of the Modeling of Solutes and Their Interactions with Other Defects
A Review on the Influence of Metallurgical Parameters on the Diffusion and Trapping of Hydrogen in Quenched and Tempered Martensitic Steels
Ab Initio Based Understanding of the Segregation and Diffusion Mechanisms of Hydrogen in Steels
An Atomistic Study of Helium-3 Bubble Growth in Aging Palladium Tritides
Characterization of Hydrogen Traps in Steels Using Thermal Desorption Spectrometry (TDS)
Connecting Hydrogen-enhanced Plasticity with the Fracture Mechanism
Coupled Atomistic-analytical Approach to Study Hydrogen Embrittlement by Nano-hydride Formation
Designing Steels Combining Ultra-strength and Hydrogen Resistance
Effect of Thermal Up-quenching on Internal Hydrogen Embrittlement of Hot Dip Galvanized High Strength Steel Fasteners
Effects of Hydrogen Concentration, Dislocation Density and Crystal Size in Deformation of Iron Nano-crystals: A Molecular Dynamics Study
Embrittlement Measures in Fe-base Systems Appropriate to Multiscale Models
First-principles Models for Radiation Damage in D-T Fusion Power Plants
Hydrogen- assisted Degradation of Steels Used in Various Market Segments
Hydrogen-defect Interactions in the Framework of the Defactant Concept
Hydrogen-induced Strain Localization at Meso-scale in Austenitic Stainless Steels
Hydrogen Effects on the Material Characteristics of Pulse-plated Nickel
Hydrogen Embrittlement in Precipitation Strengthened Ni-base Superalloys
Hydrogen Embrittlement in Pulse-plated Nickel Material of Liquid Propulsion Rocket Engines
Hydrogen Embrittlement of High Strength Advanced Oilfield Alloys
Hydrogen Embrittlement of Steels: New Observations and Modeling of Micromechanisms of Fracture
Hydrogen Environment Assisted Cracking (HEAC) of Modern Ultra-high Strength Stainless Steel
Hydrogen Permeability in Zn-Ni and Al Coatings
Magnetic Tight Binding Models for Interstitial Elements and Extended Defects in Iron Phases
Measurement and Modeling of Hydrogen Environment Assisted Cracking in Monel K-500
Modeling Dislocation Mediated Hydrogen Transport
Modeling of Gaseous Impurity Inhibition of Hydrogen Environment Embrittlement
On the Implication of Dislocations and Vacancies Distributions on Hydrogen Diffusion and Trapping in FCC Alloys: Grain-boundaries and Dislocation Patterns
Random-walk Based Continuum Model of Hydrogen Diffusion and Trapping in Metals
Simulating Hydrogen Embrittlement and Fast Pathways for Diffusion through Localization Elements
Hide details for [<a href="/PM/PM.nsf/ApprovedAbstracts/B5E1E4978E53ADE085257B910057F515?OpenDocument">Simulating Oxidation, PhSimulating Oxidation, Phase Transformation and Hydride Precipitation in Zirconium by Phase Field Modeling
[Replication or Save Conflict]
Slip Transmission and Mechanical Behavior of Ni-alloys in the Presence of Hydrogen
The Effect of Alloying on the Properties of Metal-Hydrogen Systems: Modeling and Simulation of Diffusion, Dislocation Loops, and Phase Changes.
The Role of VC Precipitates in Hydrogen Assisted Cracking of Vanadium Modified 2⅟₄Cr1Mo Steel

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