Niobium self-diffusion

Einziger, R.E.; Mundy, J. N.; Hoff, H. A.

doi:10.1103/physrevb.17.440

Cited by 76 publications

(22 citation statements)

References 35 publications

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“…The commonly accepted value [16] is 2.7 eV, as given by Faber and Schultz [19] experiments. On top of this, Einziger et al [18] provide a ratio of 1.25 between the activation energies of divacancy and vacancy. In this work, a larger value of 1.76 has been found which, given the difficulties in isolating the separate contributions of the two types of defects to the experimental result, may be considered as a reasonable agreement.…”

Section: Introductionmentioning

confidence: 98%

“…However, they suffer from secondary effects and from the relatively weak response to the formation of thermal vacancies [16]. For these reasons, Schultz [17] suggested that self-diffusion data [18] and stage III resistivity recovery measurements [19], for which reasonable experimental data do exist, give accurate values for the activation Q and migration E m energies, respectively, of monovacancies in bcc refractory metals, far from the melting point. Using the well known relationship Q ¼ E f þ E m , the formation energy E f of a single vacancy in pure bcc Nb can be determined.…”

Section: Introductionmentioning

confidence: 99%

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Ab initio simulations of the structure, energetics and mobility of radiation-induced point defects in bcc Nb

Cerdeira

Palacios

González

et al. 2016

Journal of Nuclear Materials

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Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Ab initio simulations of the structure, energetics and mobility of radiation-induced point defects in bcc Nb

Cerdeira

Palacios

González

et al. 2016

Journal of Nuclear Materials

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“…Most of the results are consistent with the experimental data. [52][53][54][55][56] Our EAM potential produces the largest formation energy. The POTFIT program fits to the DFT energy per atom of each configuration in the database, instead of fitting to defect energies.…”

Section: B Point Defectsmentioning

confidence: 99%

Force-matched embedded-atom method potential for niobium

2010

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Large-scale simulations of plastic deformation and phase transformations in alloys require reliable classical interatomic potentials. We construct an embedded-atom method potential for niobium as the first step in alloy potential development. Optimization of the potential parameters to a well-converged set of density-functional theory ͑DFT͒ forces, energies, and stresses produces a reliable and transferable potential for moleculardynamics simulations. The potential accurately describes properties related to the fitting data and also produces excellent results for quantities outside the fitting range. Structural and elastic properties, defect energetics, and thermal behavior compare well with DFT results and experimental data, e.g., DFT surface energies are reproduced with less than 4% error, generalized stacking-fault energies differ from DFT values by less than 15%, and the melting temperature is within 2% of the experimental value.

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“…This estimated value is about 3 orders of magnitude higher than the reported diffusion coefficient of Nb at the same temperature in BCC Zr-Nb alloys [15] and more than 8 orders of magnitude higher than the reported self-diffusion coefficient of Nb [16]. However, the diffusivity of elements is known to considerably increase during plastic deformation [17].…”

Section: Microstructure Of Deformed Samplesmentioning

confidence: 59%

Microstructure and Properties of a Refractory NbCrMo0.5Ta0.5ZrTi Alloy (Preprint)

Woodward¹,

Senkov²

2011

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The public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden, to Department of Defense, Washington Headquarters Services, Directorate for Information SPONSORING/MONITORING AGENCY REPORT NUMBER(S)AFRL-RX-WP-TP-2011-4372 DISTRIBUTION/AVAILABILITY STATEMENTApproved for public release; distribution unlimited. SUPPLEMENTARY NOTESThe U.S. Government is joint author of this work and has the right to use, modify, reproduce, release, perform, display or disclose the work. PA Case Number and clearance date: 88ABW-2011-3436, 14 Jun 2011. Preprint journal article to be submitted to Acta Materialia. This document contains color. ABSTRACTA new refractory alloy, Nb20Cr20Mo10Ta10Zr20Ti20, was produced by vacuum arc melting. To close shrinkage porosity, it was hot isostatically pressed (HIPd) at T = 1723 K and P = 207 MPa for 3 hours. In both as-solidified and HIPd conditions, the alloy contained three phases: two body centered cubic (BCC1 and BCC2) and one face centered cubic (FCC). The BCC1 phase was slightly enriched with Nb, Mo and Ta and depleted with Zr and Cr, and its lattice parameter after HIP was a = 324.76 ± 0.16 pm. The BCC2 phase was enriched with Zr and Ti and considerably depleted with Mo, Cr and Ta, and its lattice parameter after HIP was estimated to be a = 341.0 ± 1.0 pm. The FCC phase was highly enriched with Cr and it was identified as a Laves C15 phase, (Zr,Ta)(Cr,Mo,Nb)2, with the lattice parameter a = 733.38 ± 0.18 pm. The volume fractions of the BCC1, BCC2 and FCC phases were 68.5%, 9.6% and 21.9%, respectively. The alloy density and Vickers microhardness were ρ = 8.23 ± 0.01 g/cm3 and Hv = 5288 ± 71 MPa. SUBJECT TERMSalloy design; high entropy alloy; crystallography; microstructure; mechanical properties

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Niobium self-diffusion

Cited by 76 publications

References 35 publications

Ab initio simulations of the structure, energetics and mobility of radiation-induced point defects in bcc Nb

Ab initio simulations of the structure, energetics and mobility of radiation-induced point defects in bcc Nb

Force-matched embedded-atom method potential for niobium

Microstructure and Properties of a Refractory NbCrMo0.5Ta0.5ZrTi Alloy (Preprint)

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