Transport, dissociation and rotation of small self-interstitial atom clusters in tungsten

Zhou, Wang-Huai; Zhang, C.G.; Li, Y.G.; Zhang, Zhi

doi:10.1016/j.jnucmat.2014.06.066

Cited by 31 publications

(17 citation statements)

References 44 publications

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“…This mixed mobility corresponds to trajectories where the defects performs sequences of 1D-jumps before rotating its glide direction and pursuing the trajectory in a 1D fashion but of a variant of the crystallographic direction. As transmission electron microscopy investigations in both low alloy and concentrated irradiated steels [3,4,5] have confirmed the 1D-character of the motion of visible dislocations loops and because molecular dynamics simulation [6,7,8,9] suggest the gradual transition from 3D-motion (relevant to single interstitials in some systems) to 1D-motion (as expected for larger dislocation loops), adequate rate-theory modeling of defect clusters evolution should include CSS for 1DR − 1DR reactions, i.e. reactions between two clusters of any type mixed mobility (which also encompasses pure 3D and and 1D mobilities).…”

Section: Introductionmentioning

confidence: 66%

Complete characterization of sink-strengths for 1D to 3D mobilities of defect clusters I. Extension to diffusion anisotropy analog cases

Adjanor

2018

Preprint

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Setting the analytical expressions for absorption rates (or sink strengths) is the starting point of any mean field calculation of reaction-diffusion dynamics, such rate equations cluster dynamics. The order and kinetics of each type of reaction depends on the dimensionality of the interacting particles' mobility. These mobilities are known to be notably complex when it comes to describe the random walk of dislocation loops formed for example irradiated materials: they may undergo 1D random excursions on their glide cylinder prior to a rotation of their Burger's vector. The overall is often described as a "mixed 1D to 3D" mobility (noted here 1DR) for which cluster sink strengths (CSS) expression exist in the literature but only with respect to a fixed sink. In this paper we first review all the available CSS expressions for the all the relevant combinations of reaction partners mobilities for a complete parametrization then, we investigate the validity conditions of some, and we treat crucial missing cases such as the interaction between two 1D-mobile species in the general case. The analysis relies on exploiting the equivalence (under specified conditions) between 1D − 1D absorption rates and a 2D one with respect to a fixed sink. Further exploiting the implications of this analogy, we show that the CSS are expected to evolve with diffusion coefficient ratio of both species elevated at exponents which are characteristic of the dimensionality of both random walks. These terms may completely change the magnitude of CSS compared to the pure 3D-CSS expression, whereas the other terms of the CSS can have a quite comparable magnitude in both cases. These CSS expressions are established for all combinations of "pure mobilities" (i.e. either purely 3D or purely 1D, rotation energies being respectively 0 or very large) and thus correspond to limiting cases of the uncovered general case of two interacting 1DR-mobile specie with a couple of finite rotation energies. Theses new analytical expressions will be use as limiting cases for a semi-analytical expression proposed in a companion paper.

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Section: Introductionmentioning

confidence: 66%

Complete characterization of sink-strengths for 1D to 3D mobilities of defect clusters I. Extension to diffusion anisotropy analog cases

Adjanor

2018

Preprint

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“…Interpretation of experimental observations of solute segregation effects in the context of theoretical models, linking solute segregation to binding between the defects and solute atoms, and/or different rates of diffusion of solute and solvent atoms, have so far focused primarily on kinetic approaches to the treatment of phase stability [61,63,64,69]. In a combination with Density Functional Theory (DFT), such models, treating solute fluctuations in solid solution under irradiation, provide insight into the highly complex phenomena of solute-defect trapping, solute segregation, point-defect recombination, dislocation interactions and nucleation, and growth of voids in tungsten and iron based materials [70][71][72][73][74][75][76][77][78][79]. Recently, kinetic approaches have been used to model the behaviour of W-Re alloys under irradiation.…”

Section: Introductionmentioning

confidence: 99%

First principles model for voids decorated by transmutation solutes: Short-range order effects and application to neutron irradiated tungsten

Nguyen-Manh,

Wrobel,

Klimenkov

et al. 2021

Preprint

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Understanding how properties of materials change due to nuclear transmutations is a major challenge for the design of structural components for a fusion power plant. In this study, by combining a first-principles matrix Hamiltonian approach with thermodynamic integration we investigate quasisteady state configurations of multi-component alloys, containing defects, over a broad range of temperature and composition. The model enables simulating transmutation-induced segregation effects in materials, including tungsten where the phenomenon is strongly pronounced. Finite-temperature analysis shows that voids are decorated by Re and Os, but there is no decoration by tantalum (Ta). The difference between the elements is correlated with the sign of the short range order (SRO) parameter between impurity and vacancy species, in agreement with Atom Probe Tomography (APT) observations of irradiated W-Re, W-Os, W-Ta alloys in the solid solution limit. Statistical analyses of Re and Os impurities in vacancy-rich tungsten show that the SRO effects involving the two solutes are highly sensitive to the background concentration the species. In quaternary W-Re-Os-Vac alloys containing 1.5% Re and 0.1% Os, the SRO Re-Os parameter is negative at 1200K, driving the formation of concentrated Re and Os precipitates. Comparison with experimental Transmission Electron Microscopy (TEM) and APT data on W samples irradiated at the High Flux Reactor (HFR) shows that the model explains the origin of anomalous segregation of transmutation products (Re,Os) to vacancy clusters and voids in the high temperature limit pertinent to the operating conditions of a fusion power plant.

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“…* moradimarjaneh@gmail.com Crowdions can be viewed as topological solitons being very efficient in mass and energy transport [13,[29][30][31][32][33][34][35][36]. Moving excitations in crystals are actively studied in order to explain various nontrivial experimental results such as annealing of defects deep inside a germanium single crystal with a surface plasma treatment [37] or tracks in mica crystals [27,[38][39][40][41][42][43].…”

Section: Introductionmentioning

confidence: 99%

Mass transfer in the Frenkel-Kontorova chain initiated by molecule impact

et al. 2018

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Transport, dissociation and rotation of small self-interstitial atom clusters in tungsten

Cited by 31 publications

References 44 publications

Complete characterization of sink-strengths for 1D to 3D mobilities of defect clusters I. Extension to diffusion anisotropy analog cases

Complete characterization of sink-strengths for 1D to 3D mobilities of defect clusters I. Extension to diffusion anisotropy analog cases

First principles model for voids decorated by transmutation solutes: Short-range order effects and application to neutron irradiated tungsten

Mass transfer in the Frenkel-Kontorova chain initiated by molecule impact

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