Diffusion of Titanium-44 and Vanadium-48 in Titanium

Murdock, J. F.

doi:10.2172/4073449

Cited by 5 publications

(5 citation statements)

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“…2b) displaying non-Arrhenius behavior for T>0.7•Tm. Figure S3 [30] demonstrates that the total diffusion coefficients Dtot(T) evaluated via simulations of Ti(001) slabs are in agreement with experimental findings [9,[34][35][36]. A comparison of Dtot(T) values with CMD simulation results obtained for smaller simulation boxes (details given above) reveals that the total Ti self-diffusivity is essentially due to vacancy migration for T<0.8•Tm and concerted migration (irrespective of defect concentrations) for T>0.8•Tm.…”

supporting

confidence: 79%

“…To estimate equilibrium vacancy and self-interstitial concentrations (cV, cSI), and total selfdiffusion coefficients Dtot [31] as a function of temperature T, we employ the approach proposed in In addition to the validation procedure performed in [27], the reliability of MEAM for description of bcc Ti properties is established by comparing CMD vs. experimental phonon dispersion curves [33,49] and total diffusion coefficients Dtot [9,[34][35][36], see [30]. The temperaturedependent effective potential (TDEP) method [37][38][39] is used to calculate the phonon spectra of bcc Ti (5488-atom supercell) by fitting second order force constants to displacement/force data sets extracted from CMD simulations.…”

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confidence: 99%

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Superioniclike Diffusion in an Elemental Crystal: bcc Titanium

et al. 2019

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Recent theoretical investigations [Belonoshko et al. Nature Geoscience 10, 312 (2017)] revealed occurrence of concerted migration of several atoms in bcc Fe at inner-core temperatures and pressures. Here, we combine first-principles and semi-empirical atomistic simulations to show that a diffusion mechanism analogous to the one predicted for bcc iron at extreme conditions is also operative and of relevance for the high-temperature bcc phase of pure Ti at ambient pressure. The mechanism entails a rapid collective movement of numerous (from two to dozens) neighbors along tangled closed-loop paths in defect-free crystal regions. We argue that this phenomenon closely resembles the diffusion behavior of superionics and liquid metals. Furthermore, we suggest that concerted migration is the atomistic manifestation of vanishingly small w-mode phonon frequencies previously detected via neutron scattering and the mechanism underlying anomalously large and markedly non-Arrhenius self-diffusivities characteristic of bcc Ti.

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confidence: 79%

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confidence: 99%

Superioniclike Diffusion in an Elemental Crystal: bcc Titanium

et al. 2019

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“…It was expected that differences in the diffusion coefficients evaluated using the two models would be minimal, The activation energies for UC2 and UO2 diffusion [based on Eqs. (4) and (5)] are 201 and 136 kJ/mol, respectively. Arrhenius plots of the data are shown in Fig.…”

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confidence: 99%

Diffusion of uranium in H-451 graphite at 900 to 1400/sup 0/C

Tallent¹,

Wichner²,

Towns³

1983

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“…Murdock et al [1] studied the self-diffusion coefficients of Ti 44 in titanium. Walsöe et al [2] tested the self-diffusion coefficients of Ti 44 in bcc-Ti at the temperature of 1173 to 1853 K by the sectioning method.…”

Section: Literature Reviewmentioning

confidence: 99%

Computational Study of Mobilities and Diffusion in Ti-Sn Alloy

Wang

Liu

Tuo

et al. 2015

J. Phase Equilib. Diffus.

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Based on the thermodynamic parameters and experimental diffusion data in the literature, the atomic mobilities of bcc Ti-Sn alloys are assessed by the CALPHAD method using DICTRA software package, and boundary mobility parameters of hcp Ti-Sn alloys were also given in the work. Compared with the calculated and measured diffusion coefficients of bcc Ti-Sn, most of the experimental data are reproduced well. The composition-distance profiles of Ti/Ti-4.9 at.% Sn diffusion couple at 1223 K for 14.4 ks were also predicted using the assessed mobility parameters. It is hopeful to provide useful guidance for the design of Ti-based alloys.

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Diffusion of Titanium-44 and Vanadium-48 in Titanium

Cited by 5 publications

References 0 publications

Superioniclike Diffusion in an Elemental Crystal: bcc Titanium

Superioniclike Diffusion in an Elemental Crystal: bcc Titanium

Diffusion of uranium in H-451 graphite at 900 to 1400/sup 0/C

Computational Study of Mobilities and Diffusion in Ti-Sn Alloy

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