Point defects and sink strength in h.c.p. metals

Monti, A. M.; Sarce, A.; Grande, N. Smetniansky-De; Savino, E. J.; Tomé, Carlos N.

doi:10.1080/01418619108213925

Cited by 26 publications

(12 citation statements)

References 27 publications

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“…show that all the potentials, except the ones named P6C-Mg and PK-Zr,, favour vacancy migration in the basal plane, see Table 3 and [7,20]. In Mg, as will be discussed in Section 5, it is found that the vacancy-migration energy predicted by all the potentials agrees reasonably well with the experimental values.…”

Section: Calculated Values Of the Vacancy Migration Energy In The Bassupporting

confidence: 65%

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Diffusion Constants for the Vacancy Mechanism in Mg and α‐Zr Calculation

Monti

1991

Physica Status Solidi (b)

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Calculation BY A. M. MONTISelf-diffusion coeficients for the monovacancy mechanism described in terms of the Arrhenius law a: calculated in Mg and a-Zr from computer simulation results. Different short-range pair interatom potentials which reproduce some material properties are used. Special interest is devoted to the resul obtained for the a-Zr lattice; by assuming a vacancy-formation energy value E' = 1.8 eV, a self-diffusic energy value Q = 3.3 eV and a pre-exponential factor Do = 5 x lo-' m2 s -l are obtained. The: numbers indirectly support some ideas proposed in the literature to understand the self-diffusic behaviour shown by experimental results, as well as some predictions made by other authors. Aus Computersimulationsergebnissen werden Selbstdiffusionskoeffizienten fur den

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Section: Calculated Values Of the Vacancy Migration Energy In The Bassupporting

confidence: 65%

“…This potential has been used successfully in the calculation of sink strengths for grain boundaries and dislocations [20]. It was shown there that the anisotropic deformation under irradiation of Zr (irradiation growth) is consistent with the anisotropy in the defect diffusivities predicted by such a strongly repulsive potential.…”

Section: Zntevatomic Potentialmentioning

confidence: 77%

Diffusion Constants for the Vacancy Mechanism in Mg and α‐Zr Calculation

Monti

1991

Physica Status Solidi (b)

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“…This suggests that the slow growth kinetics in the thickness direction is primarily caused by the difficulty in vacancy layer nucleation, which is similar to what was predicted in silicon 44 . Furthermore, vacancies diffuse along /aS directions about two times faster than along /cS directions at room temperature 45,46 . Therefore, a higher flux of vacancies will flow to f01 11g and f01 10g sidewalls than to the {0001} facets.…”

Section: Resultsmentioning

confidence: 99%

In-situ atomic-scale observation of irradiation-induced void formation

et al. 2013

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The formation of voids in an irradiated material significantly degrades its physical and mechanical properties. Void nucleation and growth involve discrete atomic-scale processes that, unfortunately, are not yet well understood due to the lack of direct experimental examination. Here we report an in-situ atomic-scale observation of the nucleation and growth of voids in hexagonal close-packed magnesium under electron irradiation. The voids are found to first grow into a plate-like shape, followed by a gradual transition to a nearly equiaxial geometry. Using atomistic simulations, we show that the initial growth in length is controlled by slow nucleation kinetics of vacancy layers on basal facets and anisotropic vacancy diffusivity. The subsequent thickness growth is driven by thermodynamics to reduce surface energy. These experiments represent unprecedented resolution and characterization of void nucleation and growth under irradiation, and might help with understanding the irradiation damage of other hexagonal close-packed materials.

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“…In early studies, central pair potentials were used [8,9] and these were later considered inadequate for hcp metals with non-ideal a/c lattice-parameter ratio, i.e. c/a 6 ¼ (8/3) 1/2 [10].…”

Section: Introductionmentioning

confidence: 99%

Atomistic calculation of point-defect diffusion anisotropy and irradiation growth inα-zirconium

Woo

Liu

2007

Philosophical Magazine

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The configuration and energetics of the mono-vacancy and self-interstitial of hcp zirconium, both in the ground state and the saddle-point configurations, are computed atomistically using the conjugate gradient method, from which the diffusion anisotropy difference (DAD) between the two types of defects is obtained. Based on this information, the growth rates of interstitial loops of different Burgers vectors in a zirconium foil irradiated in a high-voltage electron microscope and the stress-free in-reactor deformation rates in hcp zirconium are directly calculated. Experimental observations in both cases are shown to be well accounted for. The significance of the DAD effect is thus directly confirmed.

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Point defects and sink strength in h.c.p. metals

Cited by 26 publications

References 27 publications

Diffusion Constants for the Vacancy Mechanism in Mg and α‐Zr Calculation

Diffusion Constants for the Vacancy Mechanism in Mg and α‐Zr Calculation

In-situ atomic-scale observation of irradiation-induced void formation

Atomistic calculation of point-defect diffusion anisotropy and irradiation growth inα-zirconium

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