Academic literature on the topic 'Vacancy segregation'

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Journal articles on the topic "Vacancy segregation"

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Shen, Kun, Yixuan Wang, Jun Zhang, et al. "Revealing the effect of grain boundary segregation on Li ion transport in polycrystalline anti-perovskite Li3ClO: a phase field study." Physical Chemistry Chemical Physics 22, no. 5 (2020): 3030–36. http://dx.doi.org/10.1039/c9cp06055c.

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Phase field calculated effective diffusivity D<sub>eff</sub> of Li vacancy in anti-perovskite Li<sub>3</sub>OCl is shown as a function of average grain sizes. Li vacancy segregation reinforces the negative contribution of grain boundaries on the overall Li diffusion.
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Wang, Xiao Wei, Hong Yan Zhang, and Ai Qing Sun. "Influence of Vacancy Formation and Mg Migration on Cracking in Spot Welding AA5754 Alloys." Materials Science Forum 539-543 (March 2007): 433–37. http://dx.doi.org/10.4028/www.scientific.net/msf.539-543.433.

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Al alloys with Mg as the major alloying element constitute a group of non-heat treatable alloys with medium strength, high ductility, excellent corrosion resistance and weldability. However, the segregation of Mg may adversely affect the performance of these materials if they are exposed to rapid heating and cooling environments such as resistance spot welding. The formation and migration of vacancy is an important factor affecting Mg segregation. In this paper, the amount and distribution of Mg were measured by electron probe microanalysis and the vacancy formation energy in AA5754 alloys was
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Cho, Eunae, Bora Lee, Choong-Ki Lee, et al. "Segregation of oxygen vacancy at metal-HfO2 interfaces." Applied Physics Letters 92, no. 23 (2008): 233118. http://dx.doi.org/10.1063/1.2943322.

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Melikhova, Oksana, Jakub Čížek, Ivan Procházka, Tetyana E. Konstantinova, and Igor A. Yashchishyn. "Inhibition of Positronium Formation in Yttria Stabilized Zirconia Nanopowders Modified by Addition of Chromia." Materials Science Forum 733 (November 2012): 249–53. http://dx.doi.org/10.4028/www.scientific.net/msf.733.249.

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The effect of chromia additive on defects in yttria stabilized zirconia (YSZ) nanopowders was investigated in this work. It was found that positrons are trapped at vacancy-like misfit defect at grain boundaries and at larger defects situated at triple points. Moreover, a long-lived ortho-positronium contribution was found in YSZ nanopowder without chromia. Addition of chromia prolongs the lifetime of positrons trapped at vacancy-like misfit defects which indicates segregation of Cr ions at grain interfaces and interaction of Cr with vacancy-like misfit defets. Moreover addition of chromia comp
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Shitara, K., A. Kuwabara, C. A. J. Fisher, et al. "Effect of oxygen vacancy segregation in Au or Pt/oxide hetero-interfaces on electronic structures." RSC Advances 7, no. 57 (2017): 36034–37. http://dx.doi.org/10.1039/c7ra04804a.

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We investigated the effects of oxygen vacancy segregation on electronic structures in the vicinity of hetero-interfaces between noble metals (Au and Pt) and yttria stabilized zirconia by performing first-principles calculations and Bader analysis.
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Skelton, R., C. Nowak, X. W. Zhou та R. A. Karnesky. "Tritium segregation to vacancy-type basal dislocation loops in α-Zr from molecular dynamics simulations". Journal of Applied Physics 131, № 12 (2022): 125103. http://dx.doi.org/10.1063/5.0078048.

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Tritium interactions with irradiation-induced defects in α-Zr are important for understanding getter performance in tritium-producing burnable absorbed rods. Vacancy-type basal loops are prominent in α-Zr irradiated at high dose rates. As they generate substantial tensile strain fields, such loops can trap tritium atoms. For this reason, vacancy-type basal dislocation loops are potentially important for tritium transport, tritium solubility, and tritide precipitation. We perform molecular dynamics simulations of tritium distributions around vacancy-type basal dislocation loops of different siz
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Qiao, Ying Jie, Hong Bo Fu, and Chun Kai Li. "Study on the Diffusion Coefficient in NGS under Low Tensile Stress." Key Engineering Materials 525-526 (November 2012): 317–20. http://dx.doi.org/10.4028/www.scientific.net/kem.525-526.317.

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In this paper, the diffusion coefficient of vacancy-solute complex and diffusion coefficient of solute atoms, P, in non-equilibrium grain-boundary segregation under low tensile stress in steel 12Cr1MoV are calculated based on the model developed by Xu. Both the simulation and experimental kinetics curves are achieved. Results show that the calculated result with the kinetic equations perfectly fits with the experimental observations for phosphorus in steel 12Cr1MoV under low tensile stress. In the segregation process, the rate of phosphorus segregation is high due to a large diffusivity of the
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Ismunandar, Brendan J. Kennedy, and Brett A. Hunter. "Surface Segregation and Oxygen Vacancy Ordering in Defect Pyrochlores." Journal of Solid State Chemistry 130, no. 1 (1997): 81–89. http://dx.doi.org/10.1006/jssc.1997.7271.

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Mastrikov, Yuri A., Denis Gryaznov, Maksim N. Sokolov, et al. "Oxygen Vacancy Formation and Migration within the Antiphase Boundaries in Lanthanum Scandate-Based Oxides: Computational Study." Materials 15, no. 7 (2022): 2695. http://dx.doi.org/10.3390/ma15072695.

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The atomic structure of antiphase boundaries in Sr-doped lanthanum scandate (La1−xSrxScO3−δ) perovskite, promising as the proton conductor, was modelled by means of DFT method. Two structural types of interfaces formed by structural octahedral coupling were constructed: edge- and face-shared. The energetic stability of these two interfaces was investigated. The mechanisms of oxygen vacancy formation and migration in both types of interfaces were modelled. It was shown that both interfaces are structurally stable and facilitate oxygen ionic migration. Oxygen vacancy formation energy in interfac
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Eglitis, Roberts I., Juris Purans, Anatoli I. Popov, and Ran Jia. "Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure." Symmetry 13, no. 10 (2021): 1920. http://dx.doi.org/10.3390/sym13101920.

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We computed the atomic shift sizes of the closest adjacent atoms adjoining the (001) surface F-center at ABO3 perovskites. They are significantly larger than the atomic shift sizes of the closest adjacent atoms adjoining the bulk F-center. In the ABO3 perovskite matrixes, the electron charge is significantly stronger confined in the interior of the bulk oxygen vacancy than in the interior of the (001) surface oxygen vacancy. The formation energy of the oxygen vacancy on the (001) surface is smaller than in the bulk. This microscopic energy distinction stimulates the oxygen vacancy segregation
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Dissertations / Theses on the topic "Vacancy segregation"

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Castin, Nicolas. "Atomistic kinetic Monte Carlo simulation of precipitation and segregation in metals for nuclear applications, using a novel methodology based on artificial neural networks." Doctoral thesis, Universite Libre de Bruxelles, 2011. http://hdl.handle.net/2013/ULB-DIPOT:oai:dipot.ulb.ac.be:2013/209893.

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La sécurité des installations nucléaires est constamment un souci majeur lors de leur exploitation, mais aussi lors de la conception de nouveaux réacteurs. Leurs durées de vie est limitée à cause des changements de comportement mécanique de leurs composants métalliques (principalement la cuve du réacteur mais aussi ses composants internes), qui sont accélérés ou induits par l’irradiation de neutrons. Une prédiction quantitative précise de ces changements, en fonction de la composition des matériaux et des conditions d'irradiation, est par conséquent un objectif de première importance pour la s
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Mridha, Subham. "A Multiscale Study of the Thermodynamics and Kinetics of Vacancy–grain-boundary Interactions." Thesis, 2022. https://etd.iisc.ac.in/handle/2005/6116.

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Grain boundaries (GBs) influence many physical and mechanical properties of crystalline materials. This is primarily because of their interactions with other kinds of defects, such as point and line defects. Such interactions are known to depend on the structure and properties of individual GBs, i.e. the GB character. Although much research has been done in this regard, an understanding of the effect of GB character on such interactions is still incomplete. The present study was undertaken to particularly understand the effect of GB character on vacancy--GB interactions in aluminium (Al). T
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Book chapters on the topic "Vacancy segregation"

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Browning, N. D., R. F. Klie, and Y. Lei. "Vacancy Segregation at Grain Boundaries in Ceramic Oxides." In Mixed Ionic Electronic Conducting Perovskites for Advanced Energy Systems. Springer Netherlands, 2004. http://dx.doi.org/10.1007/978-1-4020-2349-1_2.

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Gribat, Nina. "Conflicting rationalities and messy actualities of dealing with vacant housing in Halle/Saale, East Germany." In The New Urban Ruins. Policy Press, 2021. http://dx.doi.org/10.1332/policypress/9781447356875.003.0007.

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Between 1990 and 2010 the city of Halle/Saale underwent a period of urban decline, loss of jobs and population. This chapter examines how different rationalities and practices of governing vacant housing have formed in the context of intersecting local, regional and national policies and projects in Halle/Saale. It draws attention to the conflicting rationalities and messy actualities of devaluing certain types of housing while reclaiming and promoting others. The chapter focuses on two districts, one centrally located with mainly early 20th century buildings and the other one peripherally loc
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Conference papers on the topic "Vacancy segregation"

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Simonen, E. P., and S. M. Bruemmer. "Kinetic Analysis of Grain Boundary Cr Concentration During Thermal or Irradiation Exposure." In CORROSION 1998. NACE International, 1998. https://doi.org/10.5006/c1998-98139.

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Abstract Grain boundary Cr concentration influences resistance to intergranular stress corrosion cracking of stainless steel reactor core components. Therefore it is important to understand (1) how initial thermal processing affects thermal nonequilibrium segregation (TNES), (2) how service exposure affects radiation-induced segregation (RIS), and (3) how temperature affects post-irradiation annealing (PIA). In this study, each process is shown to be controlled by Cr-vacancy interactions. Mechanistic predictions are in accord with measured kinetics of changes in grain boundary Cr concentration
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Liu, Binghai, Si Ping Zhao, Eddie Er, Changqing Chen, Ghim Boon Ang, and Zhiqiang Mo. "Arsenic Segregation Induced Gate Leakage by TEM Failure Analysis." In ISTFA 2013. ASM International, 2013. http://dx.doi.org/10.31399/asm.cp.istfa2013p0434.

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Abstract High gate to source/drain (S/D) leakage was observed at both failed pins and ET structures with random failure signatures. Detailed TEM failure analysis revealed an abnormal thin Nitrogen-rich nitride layer along the poly gate which extended to the S/D regions. Along the abnormal nitride layer, appreciable Arsenic (As) segregation occurred. The segregated As dopants at these interfaces may form a continuous conducting path, accounting for the gate to S/D leakage mechanism. The preferable As segregation at the Silicon nitride interface may be related to a vacancy-assisted As diffusion
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Reports on the topic "Vacancy segregation"

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Andersson, Anders D., Michael R. Tonks, Luis Casillas, et al. Simulation of xenon, uranium vacancy and interstitial diffusion and grain boundary segregation in UO2. Office of Scientific and Technical Information (OSTI), 2014. http://dx.doi.org/10.2172/1163255.

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