Mechanical stress effect on oxygen ion mobility in 8mol% yttria-stabilized zirconia electrolyte

Araki, Wakako; Imai, Yoshinori; Adachi, Tadaharu

doi:10.1016/j.jeurceramsoc.2009.01.014

Cited by 46 publications

(41 citation statements)

References 21 publications

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“…Finally, these results have important implications for mass transport in fluorite structured oxides [29][30][31] , beyond the specific material studied here, in which mechanical strains have been proposed as a new means of enhancing ionic conductivity. For example, an experimental study 31 on YSZ has shown about 18% improvement in oxygen ion mobility under tensile stresses, with improvement more prominent at relatively lower temperatures.…”

Section: Discussionmentioning

confidence: 71%

“…For example, an experimental study 31 on YSZ has shown about 18% improvement in oxygen ion mobility under tensile stresses, with improvement more prominent at relatively lower temperatures. Many applications of oxides involve complex strain states, including thin film geometries and nanocomposites [25][26][27][28] .…”

Section: Discussionmentioning

confidence: 99%

“…Thus, our results have implications beyond the specific material studied, in particular for the transport properties of various systems such as complex oxide hetero-structures 25,26 , strained oxide thin films 27,28 , and strain enhanced ionic conductivity in fluorite structured oxide materials like CeO2 and stabilized ZrO2 (YSZ) [29][30][31] which are commonly used in solid oxide fuel cells, as well as sintering and creep properties of zirconia and hafnia based thermal barrier coatings 32,33 . In many of these applications, the presence of strain can alter atomic scale events and the overall evolution of the system.…”

Section: Introductionmentioning

confidence: 93%

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Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

et al. 2015

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We present a detailed mechanism of, and the effect of homogeneous strains on, the migration of uranium vacancies in UO2. Vacancy migration pathways and barriers are identified using density functional theory (DFT) and the effect of uniform strain fields are accounted for using the dipole tensor approach. We report complex migration pathways and non-cubic symmetry associated with the uranium vacancy in UO2 and show that these complexities need to be carefully accounted for to predict the correct diffusion behavior of uranium vacancies. We show that under homogeneous strain fields, only the dipole tensor of the saddle with respect to the minimum is required to correctly predict the change in the energy barrier between the strained and the unstrained case. Diffusivities are computed using kinetic Monte Carlo (KMC) simulations for both neutral and fully charged state of uranium single and di-vacancies. We calculate the effect of strain on migration barriers in the temperature range 800 -1800 K for both vacancy types. Homogeneous strains as small as 2% have a considerable effect on diffusivity of both single and di-vacancies of uranium, with the effect of strain being more pronounced for single vacancies than di-vacancies. In contrast, the response of a given defect to strain is less sensitive to changes in the charge state of the defect. Further, strain leads to anisotropies in the mobility of the vacancy and the degree of anisotropy is very sensitive to the nature of the applied strain field for strain of equal magnitude. Our results suggest that the influence of strain on vacancy diffusivity will be significantly greater when single vacancies dominate the defect structure, such as sintering, while the effects will be much less substantial under irradiation conditions where di-vacancies dominate.

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Section: Discussionmentioning

confidence: 71%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 93%

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Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

et al. 2015

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“…Previous investigations [2][3][4][5][6][7][8][9][10][11] on the strain dependence already pointed out the increase in conductivity under expansion of the crystal lattice and a decrease under compression. Four groups [2][3][4]10,11 proposed sandwich-type epitaxially grown structures consisting of YSZ and an additional oxide with a larger lattice constant (e.g., Y 2 O 3 ), one group investigated a single layer YSZ of different thickness on a MgO substrate 9 and two other groups applied pressure directly to the electrolyte material.…”

Section: Introductionmentioning

confidence: 98%

“…Four groups [2][3][4]10,11 proposed sandwich-type epitaxially grown structures consisting of YSZ and an additional oxide with a larger lattice constant (e.g., Y 2 O 3 ), one group investigated a single layer YSZ of different thickness on a MgO substrate 9 and two other groups applied pressure directly to the electrolyte material. 5,8 In 1998 Suzuki et al 2 investigated the ionic motion of oxygen in YSZ/CeO 2 sandwich structures by molecular dynamics simulations. They found an increase of the diffusion coefficient in YSZ by a factor of 1.7 in comparison to bulk conductivity due to the expansive strain the CeO 2 layers induce in the electrolyte.…”

Section: Introductionmentioning

confidence: 99%

First-principles study and modeling of strain-dependent ionic migration in ZrO2

Hirschfeld

Lustfeld

2011

Phys. Rev. B

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Electrolytes with high ionic conductivity at lower temperatures are the prerequisite for the success of Solid Oxide Fuel Cells (SOFC). One promising candidate is doped zirconia. In the past its ionic conductivity has mainly been increased by decreasing its thickness. However, the influence of the thickness is only linear, whereas the impact of migration barriers is exponential. Therefore understanding the oxygen transport in doped zirconia is of fundamental importance. In this work we pursue the approach of the strain dependent ionic migration in zirconia. We investigate how the migration barriers for oxygen ions respond to a change of the atomic strain. We employ the method of Density Functional Theory (DFT) calculations to relax the atomic configurations to the ground state. In connection with the Nudged Elastic Band (NEB) method we obtain the migration barrier of the oxygen ion jumps in zirconia for a given lattice constant. Similar to other publications we observe a decrease in the migration barrier for expansive strain, but in addition we also find a migration barrier decrease for high compressive strains beyond a maximal height of the migration barrier at an intermediate compressive strain. We present a simple analytic model which, by using interactions of the Lennard-Jones type, gives an explanation for this behavior.

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Differential Sintering and Self‐Stress Effects on YSZ Ionic Conductivity

et al. 2023

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Thermomechanical stress simulations are combined with experimental tests to assess the effects of rigid inclusions on the sintering of 8 mol% yttria‐stabilized zirconia (8YSZ) green compacts and the phenomena of restricted and differential sintering on microstructure development and electrical properties are investigated. Rigid inclusions of sintered ceramic particles with different shapes (spherical and jagged) and compositions (alumina, 3YSZ, and 8YSZ) are added in different volume fractions (1, 5, and 15 vol%) to 8YSZ commercial powders, which are formed by isostatic pressing and sintered by conventional method. Restricted and differential sintering effects are observed in the development of the microstructure varying in function of volume fraction, shape, structural composition, and thermomechanical properties of the inclusions, resulting in different combinations of tensile and compressive strain states in the matrix, and varying electrical behaviors. The addition of 1 vol% of 8YSZ irregular rigid inclusions leads to an increase of 36% in total electrical conductivity and a 33% increase in power density under solid oxide fuel cells operation conditions compared to samples without inclusions.

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Mechanical stress effect on oxygen ion mobility in 8mol% yttria-stabilized zirconia electrolyte

Cited by 46 publications

References 21 publications

Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

First-principles study and modeling of strain-dependent ionic migration in ZrO2

Differential Sintering and Self‐Stress Effects on YSZ Ionic Conductivity

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