A computational analysis of universal behavior of thermal groove in a moving grain boundary

Verma, Miral; Sugathan, Sandeep; Bhattacharya, Shuvajit; Mukherjee, Rabibrata

doi:10.1016/j.scriptamat.2021.114383

Cited by 9 publications

(3 citation statements)

References 24 publications

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“…In μ2mech, the variable mobility Cahn-Hilliard equation is numerically solved using semi-implicit Fourier spectral method following the work of Zhu et al for studying coarsening kinetics during spinodal decomposition with variable mobility [58]. The same formulation is also used to study sintering of nano-particle aggregate [59], hole growth in a single crystalline thin film [60], and thermal grooving in a polycrystalline thin film [61,62]. The following steps are followed for numerical implementation.…”

Section: Appendix C Variable Mobility and Its Numerical Implementationmentioning

confidence: 99%

μ2mech: A software package combining microstructure modeling and mechanical property prediction

Linda,

Negi,

Panwar

et al. 2024

Phys. Scr.

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We have developed a graphical user interface (GUI) based package μ2mech to perform phase-field simulation for predicting mi-crostructure evolution. The package can take inputs from ab initio calculations and CALPHAD (Calculation of Phase Diagrams)tools for quantitative microstructure prediction. The package also provides a seamless connection to transfer output from themesoscale phase field method to the microscale finite element analysis for mechanical property prediction. Such a multiscale sim-ulation package can facilitate microstructure-property correlation, one of the cornerstones in accelerated materials developmentwithin the integrated computational materials engineering (ICME) framework.

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Section: Appendix C Variable Mobility and Its Numerical Implementationmentioning

confidence: 99%

μ2mech: A software package combining microstructure modeling and mechanical property prediction

Linda,

Negi,

Panwar

et al. 2024

Phys. Scr.

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show abstract

“…For example, Mukherjee et al employed a phase-field model to study different pathways of microstructure evolution during sintering of nanoporous aggregates for different combinations of surface, GB diffusivity and GB mobility [30]. Verma et al also presented a computational analysis of the time-independent behavior of a thermal groove in a migrating GB using a phase-field model [31]. Kim et al studied grain growth combine with GB energy data base and phase-field modelling [32].…”

Section: Introductionmentioning

confidence: 99%

Solute segregation in a moving grain boundary: a phase-field approach

Guin,

Verma,

Bandyopadhyay

et al. 2024

Modelling Simul. Mater. Sci. Eng.

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We present a phase-field approach for investigating monolayer and multilayer type solute segregation in a moving Grain boundary (GB). In this model, we introduce an expression for the GB solute interaction potential which allows for easy modification of the shape of the solute segregation profile at the GB. As a consequence, our phase-field simulations capture various segregation profiles in both stationary and migrating GB that agree with Cahn’s solute drag theory. Furthermore, we explore how different segregation profiles evolve at varying GB velocities owing to the inequality of the atomic flux of solute between the front and back faces of the moving GB. At a low-velocity regime, we observe that multilayer segregation results in significantly increased drag force compared to monolayer segregation. At a high-velocity regime, the opposite holds. Our simulation results also provide valuable insights for predicting grain growth in polycrystalline materials in the presence of solute segregation.

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“…Grain-boundary motion appears to be linked to grain orientation and to the presence of a soft substrate. Certainly some motion is driven by grain coarsening that reduces the interfacial energy within the ice [41,[53][54][55][56][57][58][59], but this does not explain motion that reverses direction. In general, we observe that boundaries between grains with large differences in crystallographic orientation were more mobile than boundaries between grains with similar orientations (e.g.…”

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confidence: 99%

Polycrystalinity enhances stress build-up around ice

Gerber¹,

Wilen²,

Dufresne³

et al. 2023

Preprint

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Damage caused by freezing wet, porous materials is a widespread problem, but is hard to predict or control. Here, we show that polycrystallinity makes a great difference to the stress build-up process that underpins this damage. Unfrozen water in grain-boundary grooves feeds ice growth at temperatures below the freezing temperature, leading to the fast build-up of localized stresses. The process is very variable, which we ascribe to local differences in ice-grain orientation, and to the surprising mobility of many grooves -which further accelerates stress build-up. Our work will help understand how freezing damage occurs, and in developing accurate models and effective damage-mitigation strategies.

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A computational analysis of universal behavior of thermal groove in a moving grain boundary

Cited by 9 publications

References 24 publications

μ2mech: A software package combining microstructure modeling and mechanical property prediction

μ2mech: A software package combining microstructure modeling and mechanical property prediction

Solute segregation in a moving grain boundary: a phase-field approach

Polycrystalinity enhances stress build-up around ice

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