Solute–vacancy binding in aluminum

Wolverton, Christopher

doi:10.1016/j.actamat.2007.06.039

Cited by 374 publications

(162 citation statements)

References 16 publications

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“…This result implies that Mg-vacancy has a larger binding energy than Si-vacancy. This conclusion, however, completely disagrees with the theoretical calculations for the solute-vacancy binding energy in aluminum [19]. The subtracted ν t values of Al-0.5%Mg samples at low temperatures confirm that muon were trapped in a shallow electrical potentials produced by dissolved Mg atoms.…”

Section: Resultscontrasting

confidence: 49%

Solute-Vacancy Clustering In Al-Mg-Si Alloys Studied By Muon Spin Relaxation Technique

Nishimura¹,

Matsuda²,

Komaki³

et al. 2015

Archives of Metallurgy and Materials

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Zero-field muon spin relaxation experiments were carried out with Al-1.6%Mg 2 Si, Al-0.5%Mg, and Al-0.5%Si alloys. Observed relaxation spectra were compared with the calculated relaxation functions based on the Monte Carlo simulation to extract the dipolar width (∆), trapping (ν t ), and detrapping rates (ν d ), with the initially trapped muon fraction (P 0 ). The fitting analysis has elucidated that the muon trapping rates depended on the heat treatment and solute concentrations. The dissolved Mg in Al dominated the ν t at lower temperatures below 120 K, therefore the similar temperature variations of ν t were observed with the samples mixed with Mg. The ν t around 200 K remarkably reflected the heat treatment effect on the samples, and the largest ν t value was found with the sample annealed at 100 • C among Al-1.6%Mg 2 Si alloys. The as-quenched Al-0.5%Si sample showed significant ν t values between 80 and 280 K relating with Si-vacancy clusters, but such clusters disappeared with the natural aged Al-0.5%Si sample.Keywords: Al-Mg-Si alloys, muon spin relaxation, vacancy Stopy Al-1,6%Mg 2 Si, Al-0,5%Mg i Al-0,5%S poddano badaniu relaksacji spinowej mionów w zerowym polu magnetycznym. Obserwowane widma relaksacyjne porównano z funkcjami relaksacji obliczonymi przy wykorzystaniu symulacji Monte Carlo w celu otrzymania informacji o szerokości dipolarnej ∆ (ang. dipolar width) oraz szybkości uwięzienia ν t (ang. trapping) i uwolnienia ν d (ang. detrapping) z pierwotnie związaną frakcją mionów (P 0 ). Z przeprowadzonej analizy wynika, że szybkość uwięzienia mionów zależy od zastosowanej uprzednio obróbki cieplnej oraz stężenia pierwiastków domieszki. W przypadku Mg rozpuszczonego w osnowie Al dominowała szybkość ν t w temperaturach poniżej 120 K, dlatego też w próbkach domieszkowanych Mg obserwowano podobne odchylenia temperaturowe szybkości ν t . Szybkość ν t w temperaturze około 200 K doskonale ukazuje wpływ zastosowanej obróbki cieplnej na omawiane próbki, z których najwyższą wartość ν t wykazały te wyżarzane w 100 • C spośród stopów Al-1,6%Mg 2 Si. Próbka Al-0,5%Si wykazała znaczące wartości ν t pomiędzy temperaturami 80 a 280 K wskazujące na aglomeracje wakancji Si, które jednak zanikają po naturalnym starzeniu stopu Al-0.5%Si.

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Section: Resultscontrasting

confidence: 49%

Solute-Vacancy Clustering In Al-Mg-Si Alloys Studied By Muon Spin Relaxation Technique

Nishimura¹,

Matsuda²,

Komaki³

et al. 2015

Archives of Metallurgy and Materials

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“…Nearest-neighbor binding energies correlate with pEN, showing it is mainly controlled by electronic factors. The next-nearest neighbor binding does not correlate with pEN while previous calculations have shown that it correlates with misfit volume indicating control by mechanical factors 25 . The results in Figure 4 show that next-near-neighbor binding is much weaker than nearest-neighbor binding 25 .…”

Section: Ivb Vacancy/solute Binding Energiesmentioning

confidence: 66%

“…Computed solute-vacancy binding energies here (Table 1) and elsewhere 9,11,25 reveal Sn to be useful for "diffusion on demand" in Al, with possible applicability of Y (Table 1). Literature computations for In suggest it as another attractive candidate for (∆E VS = -0.2 eV) 25 . Prospects for Al-6xxx are limited, but the few viable solutes provide the desired performance.…”

Section: Discussionmentioning

confidence: 99%

Microalloying for the controllable delay of precipitate formation in metal alloys

Francis

2016

Acta Materialia

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A model is presented to predict the effectiveness of dilute solutes in delaying precipitate formation, with application to natural and artificial aging in metal alloys. Control of aging is achieved via the binding, at natural aging temperatures, and release, at artificial aging temperatures, of excess quenched vacancies by the solute atoms. The binding of vacancies to the solute atoms reduces the vacancy concentration in the bulk lattice, and thus reduces the rate of transport processes that control aging. To be useful, this strategy requires sufficiently strong, but not too strong, vacancy-solute binding, and sufficiently slow vacancy-solute diffusion, both quantified through application of the model. First-principles methods are used to compute the controlling materials properties (vacancy-solute binding energies and migration barrier) for a range of solutes in Al and Mg, and Pauli Electronegativity of the solute relative to the host metal is found useful for correlating properties. With the computed inputs, the model is applied to representative solutes (Ga, Sn, Pb) in Al that span weak to strong vacancy binding. Predictions of the model to Sn in Al are then shown to qualitatively agree with experiments, with quantitative agreement possible using a slightly stronger Sn-vacancy binding energy. The general model should be useful for identifying promising dilute solutes for control of precipitation/aging across many alloys in which quenched vacancies are used to control precipitation.

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“…The effect gets smaller with more solute and with higher vacancy affinity of the solute elements. It has been demonstrated that vacancy binding energies generally increase with atom size, however not without exception [14]. The elements used in Wolverton's work [14] have vacancy binding energies increasing as Mg, Si, Ag and Ge.…”

Section: Introductionmentioning

confidence: 99%

“…It has been demonstrated that vacancy binding energies generally increase with atom size, however not without exception [14]. The elements used in Wolverton's work [14] have vacancy binding energies increasing as Mg, Si, Ag and Ge. A higher solute-vacancy binding corresponds with a higher probability of one or more nearby vacancies.…”

Section: Introductionmentioning

confidence: 99%

Atomistic details of precipitates in lean Al–Mg–Si alloys with trace additions of Ag and Ge studied by HAADF-STEM and DFT

Mørtsell

Andersen

Friis

et al. 2017

Philosophical Magazine

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Bonding energies and volume misfits for alloying elements and vacancies in multicomponent Al-Mg-Si alloys have been calculated using density functional theory and the results have been compared with numbers obtained by atomic scale precipitate structure analysis, using high angle annular dark-field scanning transmission electron microscopy. The techniques in combination provide new insight into precipitation in these alloys. In the Ge containing alloy were found two new stacking configurations of the well-known strengthening phase β". In the alloy with Ag a new Q'/C -like local configuration containing Ag was discovered, and a model has been proposed. The experimental results are justified by simulations.

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Solute–vacancy binding in aluminum

Cited by 374 publications

References 16 publications

Solute-Vacancy Clustering In Al-Mg-Si Alloys Studied By Muon Spin Relaxation Technique

Solute-Vacancy Clustering In Al-Mg-Si Alloys Studied By Muon Spin Relaxation Technique

Microalloying for the controllable delay of precipitate formation in metal alloys

Atomistic details of precipitates in lean Al–Mg–Si alloys with trace additions of Ag and Ge studied by HAADF-STEM and DFT

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