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CCFE-PR(17)642017
In a fusion tokamak, the plasma of hydrogen isotopes is in contact with tungsten at the surface of a divertor. In the bulk of the material, the hydrogen concentration profile tends towards dynamic equilibrium between the flux of incident ions and their trapping and release from defects, either native or produced by ion and neutron irradiation. The …
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CCFE-PR(17)622017
Recently we have presented direct experimental evidence for large defect clusters being formed in primary damage cascades in self-ion irradiated tungsten [Yi et al., EPL 110:36001 (2015)]. This large size is significant, as it implies th…
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CCFE-PR(17)062017
Using an ab initio approach, we explore the stability of small vacancy and vacancychromium clusters in dilute body-centred cubic Fe-Cr alloys. To explain experimental observations described in C.D. Hardie et al., J. Nucl. Mater. 439, 33 (2013) and showing the occurrence of Cr segregation in low-Cr alloys, we investigate if chromium can form stable …
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CCFE-PR(17)442017
The low temperature diffusivity of nanoscale crystal defects, where quantum mechanical fluctuations are known to play a crucial role, are essential to interpret measurements of irradiated microstructures conducted at cryogenic temperatures. Using density functional theory calculations, quantum heat bath molecular dynamics and open quantum systems t…
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CCFE-PR(17)572017
Quantum dynamics within solids is usually restricted to low mass particles such as electrons and muons, or single atoms of light elements such as hydrogen. In this letter we report observation of the quantum-assisted motion of self-interstitial atom clusters in tungsten (each of mass 184 Da), travelling distances of several nanometres between trapp…
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2016
Spin–lattice dynamics generalizes molecular dynamics to magnetic materials, where dynamic variables describing an evolving atomic system include not only coordinates and velocities of atoms but also directions and magnitudes of atomic magnetic moments (spins). Spin–lattice dynamics simulates the collective time evolution of spins and atoms, tak…
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CCFE-PR(16)152016
Accurately quantifying the transmutation rate of tungsten (W) under neutron irradiation is a necessary requirement in the assessment of its performance as an armour material in a fusion power plant. The usual approach of calculating average responses, assuming large, homogenised material volumes, is insu?cient to capture the full complexity of the …
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CCFE-PR(16)662016
To design efficient thermal recovery procedures for structural materials in fusion energy applications it is important to characterise quantitatively the annealing timescales of radiation-induced defect clusters. With this goal in mind, we present an extension of the Greens function formulation of Gu et al. [1] for the climb of curved dislocation…
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CCFE-PR(16)512016
The properties of point defects in Fe-Cr-Ni alloys are investigated, using density functional theory (DFT), for two alloy compositions, Fe50Cr25Ni25 and Fe55Cr15Ni30, assuming various degrees of short-range order. DFT-based Monte Carlo simulations are applied to explore short-range order parameters and generate representative structures of alloys. …
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CCFE-PR(16)492016
Multicomponent systems, termed High Entropy Alloys (HEAs), with predominantly single solid solution phases are a current area of focus in alloy development. Although different empirical rules have been introduced to understand phase formation and determine what the dominant phases may be in these systems, experimental investigation has revealed tha…
Showing 51 - 60 of 117 UKAEA Paper Results