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Gregory B. Olson

Publications and source records attributed to Gregory B. Olson.

3 recordsLinked to original sources

Composition dependence of the critical Rayleigh number curve for macrosegregation in multicomponent metal alloys

Convective instabilities in the semi-solid mushy zone can trigger channel formation that leads to defects known as freckles, channel segregates and A-type segregates. In the present work, Flemings' model is used to determine conditions for the onset of local remelting when buoyancy-driven flow is suddenly triggered in an initially stagnant mushy zone. An expression in the form of a Rayleigh number $Ra$, and its associated critical value $Ra_{\rm crit}$, above which the local remelting condition is satisfied, are derived. Using thermophysical data from CALPHAD, these expressions are evaluated using results from benchmark experimental and numerical studies for the nickel-based superalloy SX-1 and Pb-Sn alloys. The correlation of this local-remelting criterion with previously reported empirical criteria is also tested for various steel compositions. It is found that $Ra_{\rm crit}$ varies with the local average solid fraction and several thermophysical properties. Since these properties can vary substantially within a relatively narrow composition range, it is suggested that $Ra_{\rm crit}$ is a strongly composition-dependent parameter.

cond-mat.mtrl-sci

A Grain Boundary Embrittlement Genome for Substitutional Cubic Alloys

Grain boundary chemistry plays a critical role for the properties of metals and alloys, yet there is a lack of consistent datasets for alloy design and development. With the advent of artificial intelligence and machine learning in materials science, open materials models and datasets can be used to overcome such challenges. Here, we use a universal interatomic potential to compute a grain boundary segregation and embrittlement genome for the Σ5[001](210) grain boundary for FCC and BCC binary alloys. The grain boundary database calculated here serves as a design tool for the embrittlement of high-angle grain boundaries for alloys across 15 base metals system of Ag, Al, Au, Cr, Cu, Fe (both BCC and FCC), Mo, Nb, Ni, Pd, Pt, Rh, Ta, V and W with 75 solute elements for each.

cond-mat.mtrl-sci

Grain Boundary Segregation and Embrittlement of Aluminum Binary Alloys from First Principles

Grain boundary segregation controls properties of polycrystalline materials such as their susceptibility to intergranular cracking. It is of interest to engineer alloy chemistry to enhance grain boundary cohesion to prevent intergranular failure. While there is collectively a large first-principles dataset for grain boundary embrittlement in multiple Al-based binary alloys, the methodologies used for the first principles calculations, as well as the analyzed fracture paths, are variable amongst studies. Here, we reevaluate and compute grain boundary segregation and embrittlement from all-electron first-principles for the Σ5[001](210) Al grain boundary. We explicitly evaluate multiple fracture paths, and provide a study case of the chemical trends of the preferred fracture paths across 69 binary Al alloys. The results suggest that neglecting certain low energy fracture paths can lead to errors of estimating embrittlement potency up to the order of 1 eV per solute atom, especially for multiple d-block transition metal solutes that are of engineering interest. The database calculated here also permits a comprehensive comparison between all-electron and pseudopotential methodologies. The effects of Hubbard U density functional theory on grain boundary segregation and embrittlement in Al(Sc) are found not to be significant in terms of the relative energetic calculations of grain boundaries and free surfaces (differences are of order 0.1 eV or less).

cond-mat.mtrl-sci