Phase field approach for void dynamics with interface stresses at the nanoscale

Javanbakht, Mahdi; Ghaedi, Mohammad Sadegh

doi:10.1016/j.ijengsci.2020.103279

Cited by 25 publications

(10 citation statements)

References 53 publications

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“…Based on the thermodynamic laws, for a potential energy such as ψ ( c , bold∇ c , boldT , bold-italicε ) which depends on the variable c and its gradient ∇ c , the stress can be expressed as [55]…”

Section: Modelmentioning

confidence: 99%

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Effect of a thermodynamically consistent interface stress on thermal-induced nanovoid evolution in NiAl

Ghaedi

Javanbakht

2021

Mathematics and Mechanics of Solids

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In the present work, the effect of a thermodynamically consistent inelastic interface stress on nanovoid evolution in NiAl is studied. Such interface stress is introduced for the solid–gas interface of nanovoids within the concept of the phase field approach. The Cahn–Hilliard (CH) equation using the Helmholtz free energy describes the evolution of nanovoid concentration. The interface stress changes the total stress distribution and affects the elastic stress field. Thus, due to the significant effect of the elastic energy on nanovoid dynamics, it can indirectly affect nanovoid nucleation and growth. The highly nonlinear coupled CH and elasticity equations are solved using the finite element method and the COMSOL code. The coupling appears due to the presence of the nonlinear nanovoid inelastic strain in the total strain, the presence of the nonlinear inelastic interface stress in the stress tensor and the presence of elastic energy in the Helmholtz free energy. Several examples of thermal-induced nanovoid evolutions are presented to investigate the effect of the solid–gas interface stress. The obtained results show the significant effect of the interface stress on the total stress distribution, and consequently a different distribution of thermodynamic driving force which can affect the nanostructure evolution and the deformation. Mainly, the interface stress represents a promotive effect on nanovoid growth which results in a faster nanovoid growth and a larger nanovoid concentration and region.

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Section: Modelmentioning

confidence: 99%

“…Recently in Javanbakht and Ghaedi [55], for the first time, a thermodynamically consistent interface stress for the solid–gas interface of nanovacancy/nanovoid is introduced. Such interface stress is introduced for the solid–gas interface of nanovacancy within the concept of the PFA.…”

Section: Introductionmentioning

confidence: 99%

Effect of a thermodynamically consistent interface stress on thermal-induced nanovoid evolution in NiAl

Ghaedi

Javanbakht

2021

Mathematics and Mechanics of Solids

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“…The order parameter, η, represents phases (structural order parameter); η = 0 shows the amorphous, and η = 1 indicates the crystalline phase. Equation expresses the relationship between the rate of change in η and the variational derivative of energy with respect to η, i.e., the thermodynamic driving force. − 1 L η η̇ = prefix− δ ψ δ η = prefix− [ J − 1 ∂ ψ ∂ η | ε − J − 1 ∇ · true( ∂ ψ ∂ normal∇ η true) ] Here, J = ρ 0 /ρ, ρ 0 , and ρ are the densities in the un-deformed and deformed states, respectively, and L η is the kinetics coefficient. The Helmholtz free energy per unit un-deformed volume (ψ) consists of the elastic (ψ e ), double-well ( ψ θ ), thermal (ψ θ ), and gradient (ψ ∇ ) terms as ψ = ψ e + J ψ θ + ψ θ + J ψ normal∇ ψ e = 0.5 [ K a + false( K c −…”

Section: Introductionmentioning

confidence: 99%

Stress Engineering: The Response of Phase Change Materials to Mechanical Stimuli

Javanbakht

Mohebbi

Attariani

2023

ACS Appl. Electron. Mater.

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The phase transition (PT) in phase change materials (PCMs) can be triggered by external stimuli, e.g., light or heat, resulting in a drastic change in their physical properties, such as electrical resistivity. Due to this rapid PT, PCMs are promising candidates for various applications, including reconfigurable electronics, photonics, sensors, and memory devices. Here, a coupled phase-field model was developed to investigate the effect of mechanical stress as an overlooked factor on the PT of germanium–antimony–tellurium. The results suggest that mean compressive stress promotes crystal growth, while tensile stress hinders crystallization. Moreover, stress alters the shape of spherical nuclei and promotes the anisotropic growth. Finally, mushroom-shaped grains can be formed in the high-temperature regime due to the heterogeneous stress distribution around interacting nuclei. These findings suggest a pathway for tailoring microstructure and tuning/controlling crystallization time via mechanical stresses.

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“…The phase-field theory, an efficient mathematical method dealing with interfacial problems without explicitly tracking the exact positions of boundaries, is a general method used broadly in solving problems such as solidification and other microstructure evolution of materials. − In this paper, a phase-field model capable of simulating dynamics of multiple moving fronts, transient drug fluxes, and fractional drug release from swellable polymeric systems is proposed. With this model, explicit boundary position tracking is eliminated, allowing for more practical use and better scalability.…”

Section: Introductionmentioning

confidence: 99%

Phase-Field Model for Drug Release of Water-Swellable Filaments for Fused Filament Fabrication

Zhu

Yang

et al. 2022

Mol. Pharmaceutics

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This paper treats the drug release process as a phase-field problem and a phase-field model capable of simulating the dynamics of multiple moving fronts, transient drug fluxes, and fractional drug release from swellable polymeric systems is proposed and validated experimentally. The model can not only capture accurately the positions and movements of the distinct fronts without tracking the locations of fronts explicitly but also predict well the release profile to the completion of the release process. The parametric study has shown that parameters including water diffusion coefficient, drug saturation solubility, drug diffusion coefficient, initial drug loading ratio, and initial porosity are critical in regulating the drug release kinetics. It has been also demonstrated that the model can be applied to the study of swellable filaments and has wide applicability for different materials. Due to explicit boundary position tracking being eliminated, the model paves the way for practical use and can be extended for dealing with geometrically complex drug delivery systems. It is a useful tool to guide the design of new controlled delivery systems fabricated by fused filament fabrication.

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Phase field approach for void dynamics with interface stresses at the nanoscale

Cited by 25 publications

References 53 publications

Effect of a thermodynamically consistent interface stress on thermal-induced nanovoid evolution in NiAl

Effect of a thermodynamically consistent interface stress on thermal-induced nanovoid evolution in NiAl

Stress Engineering: The Response of Phase Change Materials to Mechanical Stimuli

Phase-Field Model for Drug Release of Water-Swellable Filaments for Fused Filament Fabrication

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