Kinetic Modeling of Grain Boundary Diffusion: The Influence of Grain Size and Surface Processes

Jaseliūnaitė, Justina; Galdikas, Arvaidas

doi:10.3390/ma13051051

Cited by 26 publications

(13 citation statements)

References 36 publications

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“…When the density is low and the porosity is high, the surface area inside the pores is large, and electrical conduction becomes easier. [ 35 , 36 , 37 ] When the grain size is smaller, the grain boundary area is larger, and the more favorable the flash onset [ 17 ].…”

Section: Resultsmentioning

confidence: 99%

“…[ [35][36][37] When the grain size is smaller, the grain boundary area is larger, and the more favorable the flash onset [17].…”

Section: Resultsmentioning

confidence: 99%

“…However, under the elevating temperature condition, the flash may occur again when temperature becomes sufficiently high enough to meet the required defect concentration. [ [35][36][37] When the grain size is smaller, the grain boundary area is larger, and the more favorable the flash onset [17].…”

Section: Resultsmentioning

confidence: 99%

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Effect of Processing Conditions on the Flash Onset Temperature in Hydroxyapatite

Hwang

Yun

2021

Materials

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When heat and electric field are applied to the sample, sintering takes place within a short time of a few seconds by the flash phenomenon that occurs. In what condition flash does occur is a main issue for the flash sintering technique. In this study, the effect of processing conditions such as sintering atmosphere, sample size, density and grain size on the flash onset of hydroxyapatite was investigated. In a vacuum atmosphere, a flash occurred at a lower temperature by 50–100 °C than in air. The smaller the thickness of the sample, the higher the flash onset temperature due to the larger specific surface area. Flash was also observed in samples which were presintered, having a density of 86–100% and a grain size of 0.2–0.9 μm. When the density and grain size of the sample were higher and larger, the flash onset temperature was higher. It was because the diffusion and conduction path through the grain boundary and the inner surface of the pores with high defect concentration are blocked with an increase of density or grain size. When an electric field was applied during flash sintering, a color change of the sample was observed and the reason was discussed.

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Section: Resultsmentioning

confidence: 99%

“…[ [35][36][37] When the grain size is smaller, the grain boundary area is larger, and the more favorable the flash onset [17].…”

Section: Resultsmentioning

confidence: 99%

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Effect of Processing Conditions on the Flash Onset Temperature in Hydroxyapatite

Hwang

Yun

2021

Materials

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“…The capacity reduction with increasing crystallite size may be attributed to the decreasing grain boundary surface area, so an increase occurs in the diffusion distance for Li + ions. 31,32 The 4.5% Fe:ZnO electrode shows a high stable cycle performance and a relative specific capacity of 400 mAh g −1 compared to the pure ZnO electrode during 100 cycles. According to these results, the 4.5% Fe:ZnO electrodes with small grain size, porous surface, and shallow defect energy may offer active sites to store Li + ions.…”

Section: Electrochemical Propertiesmentioning

confidence: 99%

Defect Emission Energy and Particle Size Effects in Fe:ZnO Nanospheres Used in Li-Ion Batteries as Anode

Sarf

Kızıl

2021

J. Electron. Mater.

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Pure and Fe-doped ZnO (Fe x Zn y V1−x−yO 2 ) nanostructures with varying iron mole percentages of 3%, 4.5%, and 6% were synthesized by co-precipitation without vacuum ambient. Structural, morphological, defect, and electrochemical properties, when serving as an anode in Li-ion batteries, were studied. All the samples have a wurtzite ZnO crystallinity, and a slight shift from the x-ray diffraction patterns of Fe:ZnO samples shows that Fe 3+ ions were substituted by Zn 2+ ions. As the percentage of the Fe mole increases from 3% to 4.5%, the size of the particles decreases from 12 nm to 9 nm, but increases to 14 nm with 6% Fe doping. Although all the samples have a spherical type, and porous surfaces are exhibited in the 4.5% Fe:ZnO nanospheres. The emission bands originate due to energy levels generated by ZnO intrinsic defects in all the samples with changing emission peaks by Fe doping. The 4.5% Fe:ZnO results substantially enhance the specific capacity of 400 mAh g −1 during 100 cycles.

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“…Various computational methods can be used, for example, molecular dynamics (MD) [31], phase-field [32], finite element [33], Monte Carlo [34][35][36][37] and others methods. Diffusion processes have also been modeled in frame of two-dimensional continuum model [38]. It is difficult to apply MD to simulate the diffusion process, since the time scale achieved by this method is on the order of 1 ns, and diffusion bonding takes about 15 min.…”

Section: Introductionmentioning

confidence: 99%

Simulation of Diffusion Bonding of Different Heat Resistant Nickel-Base Alloys

et al. 2020

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Currently, an important fundamental problem of practical importance is the production of high-quality solid-phase compounds of various metals. This paper presents a theoretical model that allows one to study the diffusion process in nickel-base refractory alloys. As an example, a two-dimensional model of ternary alloy is considered to model diffusion bonding of the alloys with different compositions. The main idea is to divide the alloy components into three groups: (i) the base element Ni, (ii) the intermetallic forming elements Al and Ti and (iii) the alloying elements. This approach allows one to consider multi-component alloys as ternary alloys, which greatly simplifies the analysis. The calculations are carried out within the framework of the hard sphere model when describing interatomic interactions by pair potentials. The energy of any configuration of a given system is written in terms of order parameters and ordering energies. A vacancy diffusion model is described, which takes into account the gain/loss of potential energy due to a vacancy jump and temperature. Diffusion bonding of two dissimilar refractory alloys is modeled. The concentration profiles of the components and order parameters are analyzed at different times. The results obtained indicate that the ternary alloy model is efficient in modeling the diffusion bonding of dissimilar Ni-base refractory alloys.

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Kinetic Modeling of Grain Boundary Diffusion: The Influence of Grain Size and Surface Processes

Cited by 26 publications

References 36 publications

Effect of Processing Conditions on the Flash Onset Temperature in Hydroxyapatite

Effect of Processing Conditions on the Flash Onset Temperature in Hydroxyapatite

Defect Emission Energy and Particle Size Effects in Fe:ZnO Nanospheres Used in Li-Ion Batteries as Anode

Simulation of Diffusion Bonding of Different Heat Resistant Nickel-Base Alloys

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