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Meeting 2017 TMS Annual Meeting & Exhibition
Symposium Gamma (FCC)/Gamma-Prime (L12) Co-Based Superalloys II
Presentation Title Solute-vacancy Binding Energies and Diffusion Rates in fcc Cobalt: A First-principles Database
Author(s) Shahab Naghavi, Vinay Hegde, Chris Wolverton
On-Site Speaker (Planned) Shahab Naghavi
Abstract Scope Understanding solute-vacancy interactions and diffusion of solutes is crucial for the design of novel cobalt-based superalloys. Despite their importance, relatively little experimental and theoretical data is available for the above properties. Here, we present accurate first-principles calculations of solute-vacancy (SV) binding energies and diffusion rates of various solutes in fcc cobalt. Using density functional theory (DFT), we compile a database of SV and diffusivities of all 3d, 4d and 5d transition metals in fcc cobalt. Our calculations reveal a systematic relationship between solute-vacancy binding energies and solute diffusion with d-occupancy of the solute, explained by the d-band model. Both the properties are the largest for elements at the far-right and far-left of the d-block of transition metals, and decrease toward the middle of the series. We also find that magnetism has a profound effect on the diffusion rates, whenever applicable.
Proceedings Inclusion? Undecided


A High-throughput Search for New Ternary Superalloys
An Update on Cobalt Based Co-Mo-Al –X Alloys with γ-γ’ Microstructure: Effect of Alloying Additions, Mechanical Properties and Interaction with Different Environments
Analyzing the Tension/Compression Asymmetry in Creep Deformed Single Crystal Co-base Superalloys
Calphad Design of Co-based Gamma-prime-strengthened Superalloys
Coarsening Kinetics and Elemental Partitioning of (f.c.c.) Gamma Plus (L12) Gamma-prime-strengthened Co-base Superalloys
Coating Systems for New Cobalt Base Single Crystals
Creep Behavior in a γ′ Strengthened Co-Al-W-base Single Crystal Superalloys
Deformation Microstructures of L12 Ordered Intermetallic Phases in Ni-, Co- and Co-Ni-base Superalloys
Developing Polycrystalline Ni-Co Rich Alloys, Strengthened by Co3AlW L12 Gamma Prime Precipitates for High Temperature Applications
Dislocation Interactions during High-temperature Creep and Yield of Polycrystalline Co-Ni-Al-W-based Superalloys and L12 γ’ Phases
Double Minimum Creep of a Ta-containing Single Crystal Co-base Superalloy
Elemental Partitioning Behaviour in Ni-Co-Al-Ti-Cr Alloys
Gammaprime Precipitation in Model CoAlW Alloys
Influence of Alloy Composition on Oxide Scale Formation in Novel Co-Based γ-γ’ Superalloys
Influence of Replacement of Ta by Nb in a γ/γʹ- structure Co Base Superalloys
Integrated Computational Materials Engineering of Co Bushing Alloy
Load Transfer between Phases during Deformation of Superalloys
Mechanical Behavior of Polycrystalline (L12)gamma-prime-strengthened Co-base Superalloys
Mechanical Properties of Co-based Superalloys with FCC+L12 Two-phase Microstructures
Modeling Precipitate Coarsening in Cobalt-based Superalloys
Multi-scale Modelling of High-temperature Deformation Mechanisms in Co-Al-W-based Superalloys
Novel Cast and Wrought γ/γ’ Cobalt Base Superalloys - Creep Properties, Deformation Mechanisms, and Oxidation
On the Role of the Base Elements Co and Ni in γ'-hardened Superalloys
Phase Stability, Element Partitioning and Atomic Site Location in Co-9Al-9W-2X Alloys
Planar Defect Formation in the γ' Phase during High Temperature Creep in Single Crystal CoNi-base Superalloys
Properties of γ'-phase in L12-precipitation Hardened Co-base Alloys with Different W-content
Role of Two Phase Microstructure during Early Stages of High Temperature Oxidation of Co-base Superalloys
Solid Solution Strengthening of Co3(Al, TM) L12 Phase: An Integrated First-principles Calculations and Experimental Study
Solute-vacancy Binding Energies and Diffusion Rates in fcc Cobalt: A First-principles Database
Structural Stability of L12 and TCP Phases in Co-based Superalloys
Superlattice Intrinsic Stacking Fault Energies and Solute Segregation to Planar Defects in Co-based Superalloys
Supersolvus Thermomechanical Processing of Cast Co–Base Superalloys
The Grain Boundary Pinning Effect of the μ-phase in Polycrystalline L12 Hardened Co-base Superalloys
The Influence of Cr in γ' Strengthened Co-base Superalloys
The Microstructure and Hardness of Ni-Co-Al-Ti-Cr Quinary Alloys
Thermodynamic Database for the Co-Al-W-Ni-Ti-Ta-Cr Superalloy System
Thermodynamics and Kinetics of L12-containing Co-base Superalloys from First-Principles
γ’-strengthened Co-Base Alloys – Development and Challenges

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