Multiphase phase field theory for temperature-induced phase transformations: Formulation and application to interfacial phases

Levitas, Valery I.; Roy, Arunabha M.

doi:10.1016/j.actamat.2015.12.013

Cited by 71 publications

(41 citation statements)

References 56 publications

(221 reference statements)

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“…In the case of low-and class high-calcium fly ashes, increase in cementitious content seemed to have a positive effect against carbonation. Effect of phase transformation [34] [35] [36] on carbonation process can be studied in future.…”

Section: Conclusion and Recommendationsmentioning

confidence: 99%

Accelerated Carbonation Assessment of High-Volume Fly Ash Concrete

Aguayo¹,

Torres²,

Kim³

et al. 2020

MSCE

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The issue of concrete carbonation has gained importance in recent years due to the increase use in supplementary cementing materials (SCMs) in concrete mixtures. While there is general agreement that concrete carbonation progresses at maximum at a relative humidity of about 60%, the rate may differ in the case of cements blended with SCMs, especially with high-volume fly ash replacements. In this study, the effect of high-volume fly ash concrete exposed to low ambient relative humidity (RH) conditions (57%) and accelerated carbonation (4% CO 2 ) is investigated. Twenty-three concrete mixtures were produced varying in cementitious contents (310, 340, 370, and 400 kg/m 3 ), water-to-cementitious materials ratio (0.45 and 0.50), and fly ash content (0%, 15%, 30%, and 50%) using a low and high-calcium fly ash. The specimens were allowed 1 and 7 days of moist curing and monitored for their carbonation rate and depth through phenolphthalein measurements up to 105 days of exposure. The accelerated carbonation test results indicated that increasing the addition of fly ash also led to increasing the depth of carbonation. Mixtures incorporating high-calcium fly ash were also observed to be more resistant against carbonation than low-calcium fly ash due to the higher calcium oxide (CaO) content. However, mixtures incorporating high-volume additions (50%) specimens were fully carbonated regardless of the type of fly ash used. It was evident that the increase in the duration of moist curing from 1 day to 7 days had a positive effect, reducing the carbonation depth for both plain and blended fly ash concrete mixes, however, this effect was minimal in high-volume fly ash mixtures. The results demonstrated that the water-tocementitious ratio (W/CM) had a more dramatic impact on carbonation resistance than the curing age for mixtures incorporating 30% or less fly ash replacement, whereas those mixtures incorporating 50% showed minor differences regardless of curing age or W/CM. Based on the compressive strength results, carbonation depth appeared to decrease with increase in compressive strength, but this correlation was not significant.

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Section: Conclusion and Recommendationsmentioning

confidence: 99%

Accelerated Carbonation Assessment of High-Volume Fly Ash Concrete

Aguayo¹,

Torres²,

Kim³

et al. 2020

MSCE

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“…Those two added terms are essential to make the energy of the interphase boundary tunable. Similar terms have been used in previous phase field simulations of multi-phase system [22,23,33,34]. In addition, the GOP η in the old model are allowed to be either +1 or −1 in the solid phases, which may cause unphysical high-energy grain boundary when two grains with η = 1 and η = −1 are in contact with each other (see the discussion in Appendix A).…”

Section: Figs 1(b) and 1(c)mentioning

confidence: 99%

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

Lei

Cheng

Wen

2017

Journal of Power Sources

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Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration of the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. The effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fration of the electrode phase.

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“…Note that the ratio of two nanoscale parameters strongly affects material behavior in martensitic transformations 33 , interaction between phase transformation and dislocations 34 , and solid-solid phase transformation via intermediate melt 35,36 ; see 37 for a review.…”

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Phase field study of surface-induced melting and solidification from a nanovoid: Effect of dimensionless width of void surface and void size

Basak

Levitas

2018

Applied Physics Letters

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Phase field study of surface-induced melting and solidification from a nanovoid: Effect of dimensionless width of void surface and void size Phase field study of surface-induced melting and solidification from a nanovoid: Effect of dimensionless width of void surface and void size AbstractThe size effect and the effects of a finite-width surface on barrierless transformations between the solid (S), surface melt (SM), and melt (M) from a spherical nanovoid are studied using a phase field approach. Melting (SM → M and S → M) from the nanovoid occurs at temperatures which are significantly greater than the solidmelt equilibrium temperature θe but well below the critical temperature for solid instability. The relationships between the SM and M temperatures and the ratio of the void surface width and width of the solid-melt interface, Δ⎯⎯⎯, are found for the nanovoids of different sizes. Below a critical ratio Δ⎯⎯⎯ * , the melting occurs via SM and the melting temperature slightly reduces with an increase in Δ⎯⎯⎯. Both S → SM and SM → M transformations have a jump-like character (excluding the case with the sharp void surface), causing small temperature hysteresis. However, the solid melts without SM for Δ⎯⎯⎯>Δ⎯⎯⎯ * , and the melting temperature significantly increases with increasing Δ⎯⎯⎯. The results for a nanovoid are compared with the melting/ solidification of a nanoparticle, for which the melting temperatures, in contrast, are much lower than θe. A linear dependency of the melting temperatures with the inverse of the void radius is shown. The present study shows an unexplored way to control the melting from nanovoids by controlling the void size and the width and energy of the surface. Keywords phase transitions Disciplines Aerospace Engineering | Engineering Physics | Structures and Materials CommentsThis is the Accepted Manuscript of the article published as Basak, Anup, and Valery I. Levitas. "Phase field study of surface-induced melting and solidification from a nanovoid: Effect of dimensionless width of void surface and void size.

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Multiphase phase field theory for temperature-induced phase transformations: Formulation and application to interfacial phases

Cited by 71 publications

References 56 publications

Accelerated Carbonation Assessment of High-Volume Fly Ash Concrete

Accelerated Carbonation Assessment of High-Volume Fly Ash Concrete

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

Phase field study of surface-induced melting and solidification from a nanovoid: Effect of dimensionless width of void surface and void size

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