Interstitial Diffusion of Metallic Solutes in Irradiated Alloys

Robrock, K.-H.

doi:10.4028/www.scientific.net/msf.15-18.537

Cited by 17 publications

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“…Robrock [21] and was since supported by ab initio calculations [22,23]. Hence, relations between the initial and final orientations α and β in Equation (9) also depend on the cristallographic structure, as well as the definition of target sites for one initial orientation.…”

Section: Atomic Diffusion Model For the Dumbbell Mechanismmentioning

confidence: 99%

“…In most BCC alloys, the most stable configuration of the dumbbell is along the 110 direction, although the 111 direction is also possible for mixed dumbbells in alloys [27,21,22,23]. This study will be restricted to the first case, which has also been the most extensively studied up to now.…”

Section: Bcc Concentrated Alloy 41 Geometry Of the Dumbbellmentioning

confidence: 99%

“…More generally, it must be noted that the assumptions in terms of geometry of the defect and of the jump mechanism can still be discussed : in this study we apply the widely accepted models proposed in a review by Robrock [21] and confirmed by recent ab initio calculations in the BCC structure [22,23], but such calculations in FCC alloys are still missing, and all results were obtained up to now in pure elements or dilute alloys. Geometrical details for each structure will be addressed in their corresponding section.…”

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confidence: 99%

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Phenomenological coefficients in a concentrated alloy for the dumbbell mechanism

Barbe

Nastar

2006

Philosophical Magazine

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International audienceWe present an adaptation of the self-consistent mean field (SCMF) theory to calculate the transport coefficients in a concentrated alloy for diffusion by the dumbbell mechanism. In this theory, kinetic correlations are accounted for through a set of effective interactions within a non-equilibrium distribution function of the system. Transport coefficients are calculated for the FCC and BCC multicomponent concentrated alloys for simple sets of jump frequencies, including different stabilities of the different defects. A first approximation leads to an analytical expression of the Onsager coefficients in a binary alloy, and a second approximation provides with a more accurate prediction. The results of the SCMF theory are compared with existing models and available Monte Carlo simulations, and an interpretation of the set of effective interactions in terms of a competition between jump frequencies is proposed

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Section: Atomic Diffusion Model For the Dumbbell Mechanismmentioning

confidence: 99%

Section: Bcc Concentrated Alloy 41 Geometry Of the Dumbbellmentioning

confidence: 99%

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confidence: 99%

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Phenomenological coefficients in a concentrated alloy for the dumbbell mechanism

Barbe

Nastar

2006

Philosophical Magazine

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“…It has been suggested that alloy atoms in interstitial configurations can diffuse over large distances and have greater average mobility than the host element atoms if they are bound to the interstitial by a considerable energy. This may enhance segregation [2]. Hence, accurate data about the energy gain (or loss) for various alloy atoms to replace self-interstitials in the Al matrix will be crucial for the understanding of the microstructures of Al alloys formed under irradiation.…”

Section: Introductionmentioning

confidence: 98%

“…This can be measured by the increase of the electrical resistance of the irradiated aluminium [1]. At higher temperatures (but not very high), e.g., room temperature, the interstitials diffuse much faster than the vacancies such that they aggregate to form dislocation loops or accumulate at interstitial sink sites such as surfaces and grain boundaries [2]. The process of the formation of interstitial dislocation loops in the Al lattice can be observed in-situ, using a high-energy transmission electron microscope (TEM) with accelerating voltages larger than 166 kV [3].…”

Section: Introductionmentioning

confidence: 99%

Density functional theory study of alloy element interstitials in Al

Klaver

Chen²

2004

J Computer-Aided Mater Des

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Density Functional Theory calculations were used to study Mg, Si, Cr, Mn, Fe, Co, Ni, and Cu interstitial configurations in Al. Energies of these elements in (100) dumbbell and octahedral configurations were determined. Results show that it is energetically favourable for metal alloying element atoms to replace Al selfinterstitials if the alloying atoms are smaller than the Al atoms, as expected. The system energy can thus be decreased by up to 2 eV. The difference between the energies of (100) dumbbell and octahedral configurations is only a few tenth eV for the alloys with metallic alloying elements. For Si, the difference can be up to 0.9 eV. This exceptional behavior of Si is most likely due to its angularly dependent bonding characteristics. Short ab-initio Molecular Dynamics simulations were performed on Mg and Si interstitials to allow these systems to evolve into different interstitial configurations rather than just the (100) dumbbell and octahedral configurations. For Si an alternative configuration with tetrahedral-like coordination was found. Consequences of the calculation results for radiation-induced segregation are discussed.

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On the Motion of Solute Atoms in Cages and Loops in Metal Lattices Studied with Nuclear Methods

Vogl

1987

Physica Status Solidi (b)

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Dedicated to Prof. Dr. A. SEEUER on the occasion of his 60th birthday Interstitial cages in metals are found with the Mossbauer effect on 67Fe in aluminium, silver, and a-zirconium after trapping of irradiation-induced interstitials and recently after implantation. Cage motion manifests itself in a strong decay of the apparent line intensity due to quasielastic effects end -in suitable systems -in a relaxation of the quadrupole splitting. The results are compared to the results of internal friction methods. Correlation effects in solute diffusion via vacancies can be described in terms of vacancy caging and looping. Analogies between interstitial and vacancy caging are discussed. The possibilities to observe and study these effects with nuclear methods are considered.Zwischengitterkiifige in Metallen wurden mit dem Mossbauereffekt an 57Fe in Aluminium, Silber und a-Zirkon entdeckt, und zwar einerseits nach Einfang bestrahlungsinduzierter Zwischengitteratome, andererseits kurzlich nach Implantation. Das Kkfigverhalten manifestiert sich in einem starken Abfall der scheinbaren Linienintensitit aufgrund quasielastischer Effekte und -in geeigneten Systemen -in einer Relaxation der Quadrupolaufspaltung. Die Ergebnisse werden mit Ergebnissen von Messungen der inneren Reibung verglichen. Korrelationseffekte bei der Fremdatom-Diffusion uber Leerstellen konnen als Leerstellen-Kafig-Spriinge beschrieben werden. Analogien zwischen Zwischengitter-und Leerstellen-Eifigen werden besprochen. Die Moglichkeit, gitterfeste und durch das Gitter rollende Leerstellenkafige zu beobachten und zu studieren, wird diskutiert.

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Interstitial Diffusion of Metallic Solutes in Irradiated Alloys

Cited by 17 publications

References 0 publications

Phenomenological coefficients in a concentrated alloy for the dumbbell mechanism

Phenomenological coefficients in a concentrated alloy for the dumbbell mechanism

Density functional theory study of alloy element interstitials in Al

On the Motion of Solute Atoms in Cages and Loops in Metal Lattices Studied with Nuclear Methods

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