Modelling temperature and concentration dependent solid/liquid interfacial energies

Lippmann, Stephanie; Jung, In‐Ho; Paliwal, Manas; Rettenmayr, Markus

doi:10.1080/14786435.2015.1118572

Cited by 20 publications

(5 citation statements)

References 40 publications

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“…The composition and temperature dependence of is calculated by the thermodynamic model proposed by Granasy and Tegze [51,52], considering both the melting enthalpy and melting entropy:…”

Section: Thermodynamic Modellingmentioning

confidence: 99%

“…While for pure Al, was determined indirectly by measuring the solid-liquid interfacial energy using homogeneous nucleation theory [81] or dihedral angle approach [82]. If the maximum value of (188 mJ/m 2 [83] Rettenmayr [52], the shape of the grain boundary grooves would be influenced by the limited cooling rates by using the radial heat flow apparatus [80]. Another limitation for the grain boundary groove method [52] is that segregation will happen during long time holding which is required for the grain boundary groove experiments.…”

Section: Comparing To the Experimental Data Ofmentioning

confidence: 99%

“…If the maximum value of (188 mJ/m 2 [83] Rettenmayr [52], the shape of the grain boundary grooves would be influenced by the limited cooling rates by using the radial heat flow apparatus [80]. Another limitation for the grain boundary groove method [52] is that segregation will happen during long time holding which is required for the grain boundary groove experiments. Such a segregation was observed by Bulla et al [87], which would influence the measured and therefore the Gibbs-Thompson coefficient.…”

Section: Comparing To the Experimental Data Ofmentioning

confidence: 99%

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A Thermodynamic Study on the Effect of Solute on the Nucleation Driving Force, Solid–Liquid Interfacial Energy, and Grain Refinement of Al Alloys

Zhao

2018

Metall Mater Trans A

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Chemical composition is known to have significant effects on the grain refinement behavior of inoculated Al alloys during solidification. In this study, the influences of solute contents on the thermodynamic nucleation driving force and solid-liquid interfacial energy of binary Al alloys have been studied by CALPHAD method. The solute effect on the nucleation barrier and nucleation rate, thus on the grain refinement of Al alloys both with and without high potency nucleation particles, was analyzed based on the classical heterogeneous nucleation theory and free growth concept. Based on the classical heterogeneous nucleation theory, the calculation results reveal that Si has the effect of increasing the nucleation barrier of heterogeneous nucleation of grains and thus reduce the nucleation rate significantly. Alloying elements Cu and Mg have the effect of promoting heterogeneous nucleation and grain refinement. However, peritectic forming elements, e.g., Ti, Zr, V, have only negligible effects on the nucleation barrier. For solidification of Al alloys inoculated with high potency nucleation particles, the effect of nucleation driving force caused by different solute elements on the grain size of inoculated aluminum alloys has been quantitatively studied by a grain size prediction model for isothermal melt solidification. It is revealed that the solute dependent Gibbs-Thompson coefficients of Al-Cu, Al-Mg and Al-Si alloys have the influence of promoting the grain refinement by reducing the free growth undercooling.

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“…The composition and temperature dependence of is calculated by the thermodynamic model proposed by Granasy and Tegze [51,52], considering both the melting enthalpy and melting entropy:…”

Section: Thermodynamic Modellingmentioning

confidence: 99%

Section: Comparing To the Experimental Data Ofmentioning

confidence: 99%

Section: Comparing To the Experimental Data Ofmentioning

confidence: 99%

See 1 more Smart Citation

A Thermodynamic Study on the Effect of Solute on the Nucleation Driving Force, Solid–Liquid Interfacial Energy, and Grain Refinement of Al Alloys

Zhao

2018

Metall Mater Trans A

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“…Therefore, it is not straightforward to discuss the change in solid–liquid interfacial energy out of the equilibrium condition. Specifically, the temperature dependence of the solid–liquid interfacial energy is still under discussion [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 ]. Several theoretical and computational studies have reported that the solid–liquid interface increased with increasing temperature (i.e., the positive temperature dependence) [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 ], whereas other literature has indicated that the temperature dependence of solid–liquid interfacial energy was not monotonic [ 39 , 40 ].…”

Section: Introductionmentioning

confidence: 99%

“…Specifically, the temperature dependence of the solid–liquid interfacial energy is still under discussion [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 ]. Several theoretical and computational studies have reported that the solid–liquid interface increased with increasing temperature (i.e., the positive temperature dependence) [ 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 ], whereas other literature has indicated that the temperature dependence of solid–liquid interfacial energy was not monotonic [ 39 , 40 ]. Different temperature dependencies for the interfacial energy of an unstable equilibrium (i.e., for nuclei) have been theoretically predicted [ 41 ].…”

Section: Introductionmentioning

confidence: 99%

Bayesian Data Assimilation of Temperature Dependence of Solid–Liquid Interfacial Properties of Nickel

et al. 2021

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Temperature dependence of solid–liquid interfacial properties during crystal growth in nickel was investigated by ensemble Kalman filter (EnKF)-based data assimilation, in which the phase-field simulation was combined with atomic configurations of molecular dynamics (MD) simulation. Negative temperature dependence was found in the solid–liquid interfacial energy, the kinetic coefficient, and their anisotropy parameters from simultaneous estimation of four parameters. On the other hand, it is difficult to obtain a concrete value for the anisotropy parameter of solid–liquid interfacial energy since this factor is less influential for the MD simulation of crystal growth at high undercooling temperatures. The present study is significant in shedding light on the high potential of Bayesian data assimilation as a novel methodology of parameter estimation of practical materials an out of equilibrium condition.

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Multiscale Dislocation-Based Plasticity

et al. 2018

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Modelling temperature and concentration dependent solid/liquid interfacial energies

Cited by 20 publications

References 40 publications

A Thermodynamic Study on the Effect of Solute on the Nucleation Driving Force, Solid–Liquid Interfacial Energy, and Grain Refinement of Al Alloys

A Thermodynamic Study on the Effect of Solute on the Nucleation Driving Force, Solid–Liquid Interfacial Energy, and Grain Refinement of Al Alloys

Bayesian Data Assimilation of Temperature Dependence of Solid–Liquid Interfacial Properties of Nickel

Multiscale Dislocation-Based Plasticity

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