Numerical and Experimental Investigations on the Growth of the Intermetallic Mg<sub>2</sub>Si Phase in Mg Infiltrated Si‐Foams

Wang, Fei; Matz, Alexander Martin; Tschukin, Oleg; Heimann, Johann; Mocker, Bettina Stefanie; Nestler, Britta; Jost, Norbert

doi:10.1002/adem.201700063

Cited by 8 publications

(6 citation statements)

References 40 publications

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“…The advantages of the parabolically approximated functions are their lightweight computations and the proper representation of the thermodynamic information. In recent years, different binary [3,5,[14][15][16] and ternary [5,[17][18][19][20][21] alloys have therefore been modeled with parabolically approximated functions. A further advantage of this approach is that these functions are suitable for the application in free-energy-based [8,22] as well as in grand-potential-based phase-field models [23,24].…”

Section: Introductionmentioning

confidence: 99%

Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models

et al. 2021

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In order to approximate Gibbs energy functions, a semi-automated framework is introduced for binary and ternary material systems, using Calphad databases. To generate Gibbs energy formulations by means of second-order polynomials, the framework includes a precise approach. Furthermore, an optional extensional step enables the modeling of systems in which a direct generation leads to the unsatisfactory results in the representation of the thermodynamics. Furthermore, an optional extensional step enables the modeling of systems, in which a direct generation leads to the unsatisfactory results, when representing the thermodynamics. Within this extension, the commonly generated functions are modified to satisfy the equilibrium conditions in the observed material systems, leading to a better correlation with thermodynamic databases. The generated Gibbs energy formulations are verified by recalculating the equilibrium concentrations of the phases and rebuilding the phase diagrams in the considered concentration and temperature ranges, prior to the simulation studies. For all comparisons, a close match is achieved between the results and the Calphad databases. As practical examples of the method, phase-field simulation studies for the directional solidification of the binary – and the ternary – eutectic systems are performed. Good agreements between the simulation results and the reported theoretical and experimental studies from literature are found, which indicates the applicability of the presented approaches. Graphical Abstract

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Section: Introductionmentioning

confidence: 99%

Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models

et al. 2021

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“…One may propose that at a transient stage at the temperature increase-where the sandwich is heated from a low temperature-a film of silicide Mg 2 Si may form at the interface, see e.g. [37,38] It was shown [23] that the Mg 2 Si layer may serve as a source of magnesium diffusing into the silicon volume; see also ref. [37].…”

Section: Technical Details Of Dopingmentioning

confidence: 99%

“…[37,38] It was shown [23] that the Mg 2 Si layer may serve as a source of magnesium diffusing into the silicon volume; see also ref. [37].…”

Section: Technical Details Of Dopingmentioning

confidence: 99%

Magnesium‐Related Donors in Silicon: State of the Art

Astrov

Portsel

Shuman

et al. 2022

Physica Status Solidi (a)

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The research interest in deep donors in silicon is due in particular to the quantum structure of such centers; these are promising for application in silicon photonics in the mid-IR range and quantum technologies. At interstitial lattice positions, magnesium atoms create double-charge deep donors. The review is an attempt to summarize the accumulated knowledge on properties of magnesium impurity in silicon. Among methods to obtain magnesium-doped silicon, there is focus on the impurity diffusion from the solid phase using the so-called sandwich method. Techniques to investigate samples include Hall effect measurements, optical absorption, luminescence spectroscopy, and others. The diffusivity of magnesium in silicon and stability of parameters of doped samples under heat treatment is discussed. The energy spectrum of the helium-like magnesium donor is considered in detail. Due to the interaction with other impurities, magnesium forms a variety of donor levels in silicon. These include complexes of Mg with substitutional acceptor atoms B, Al, Ga, In, interstitial Li, and oxygen, as well as numerous donors with a currently unknown nature. Some defects are similar to so-called thermal donors in silicon. The pairing of Mg atoms is proved in samples prepared from the isotope 28 Si-enriched silicon.

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“…∞ and E A in Eqs. (10) and (11) are determined by fitting the experimental data. The phase-field equations, Eqs.…”

Section: Modeling Of the Capillary Flowmentioning

confidence: 99%

Phase-field modeling of reactive wetting and growth of the intermetallic Al2Au phase in the Al-Au system

et al. 2018

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When an Al-droplet is in contact with an Au-solid substrate, the liquid phase reacts with the substrate and an intermetallic layer is formed at the solid-liquid interface due to diffusion and reaction. This phenomenon has been commonly observed in the soldering process and the wetting is termed as reactive wetting, in contrast to the inert wetting where the droplet does not react with the base materials and the substrate is flat. Young's law can be used to interpret the contact angle in the static state, but is not able to predict the dynamics in the process of reactive wetting. In this work, we present a multiphase model including phase transition and fluid dynamics to investigate the effect of the formation of the intermetallic Al 2 Au phase and capillary flow on the reactive wetting in the Al-Au system. In order to capture phase boundaries of solid-, liquid-and intermetallic-vapor, phase-field simulations are performed based on a ternary (Al-Au-X) phase diagram concept and using experimental data. It has been found that the increase of both the liquid-intermetallic interfacial tension as well as the capillary flow lead to an inhibition effect for the growth of the intermetallic phase.

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Numerical and Experimental Investigations on the Growth of the Intermetallic Mg₂Si Phase in Mg Infiltrated Si‐Foams

Cited by 8 publications

References 40 publications

Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models

Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models

Magnesium‐Related Donors in Silicon: State of the Art

Phase-field modeling of reactive wetting and growth of the intermetallic Al2Au phase in the Al-Au system

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Numerical and Experimental Investigations on the Growth of the Intermetallic Mg2Si Phase in Mg Infiltrated Si‐Foams

Cited by 8 publications

References 40 publications

Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models

Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models

Magnesium‐Related Donors in Silicon: State of the Art

Phase-field modeling of reactive wetting and growth of the intermetallic Al2Au phase in the Al-Au system

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Numerical and Experimental Investigations on the Growth of the Intermetallic Mg₂Si Phase in Mg Infiltrated Si‐Foams