Lattice dynamics and debye temperature of AlCu, AlSi and AlGe alloy systems

Kagaya, Hideaki; Serita, Ei-ichi; Sato, Mayumi; Soma, T.

doi:10.1016/0038-1098(96)00388-2

Cited by 4 publications

(2 citation statements)

References 8 publications

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“…The work of determining Debye-Waller factors for aluminium and solute atoms in alloys is limited compared to work in the pure metal, however it is not insignificant. Examples include Ti-Al (449 -452), Al-Cu (453,454), Al-Si (453), Al-Ge (453), Ni-Al (455,456) and Al-Co-Ni-Fe-Mn-Rh (457) systems.…”

Section: Debye-waller Factorsmentioning

confidence: 99%

The Crystallography of Aluminum and Its Alloys

Nakashima

2019

Encyclopedia of Aluminum and Its Alloys

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This article begins with pure aluminum and a discussion of the form of the crystal structure and different unit cells that can be used to describe it. Measurements of the face-centered cubic lattice parameter and thermal expansion coefficient in pure aluminum are reviewed and parametrizations are given which allow the reader to evaluate them across the full range of temperatures where aluminum is a solid. A new concept called the “vacancy triangle” is introduced and demonstrated as an effective means for determining vacancy concentrations near the melting point of aluminum. The Debye–Waller factor, quantifying the thermal vibration of aluminum atoms in pure aluminum, is reviewed and parametrized over the full range of temperatures where aluminum is a solid. The nature of interatomic bonding and the history of its characterization in pure aluminum are reviewed with the unequivocal conclusion that it is purely tetrahedral in nature. The crystallography of aluminum alloys is then discussed in terms of all of the concepts covered for pure aluminum, using prominent alloy examples. The electron density domain theory of solid-state nucleation and precipitate growth is introduced and discussed as a new means of rationalizing phase transformations in alloys from a crystallographic point of view.

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Section: Debye-waller Factorsmentioning

confidence: 99%

The Crystallography of Aluminum and Its Alloys

Nakashima

2019

Encyclopedia of Aluminum and Its Alloys

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“…Such scatterings, also known as Umklapp scatterings, are more pronounced in impure materials and it is necessary to consider them when calculating the κ l [15]. Some studies have tried the calculation of the κ l via analytical methods [16]; however, due to the complex behaviors of such scatterings, an accurate calculation of the κ l is only possible through computational methods that consider the vibration of atoms.…”

Section: Introductionmentioning

confidence: 99%

Determination of thermal conductivity of eutectic Al–Cu compounds utilizing experiments, molecular dynamics simulations and machine learning

Nazarahari

Fromm

Ozdemir

et al. 2023

Modelling Simul. Mater. Sci. Eng.

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In this study, the thermal conductivity (κ) of Al-Cu eutectics was investigated by experimental and computational methods to shed light on the role of these compounds in thermal properties of Al-Cu connections in compound casting. Specifically, the nonequilibrium molecular dynamics (MD) method was utilized to simulate the lattice thermal conductivity (κl) of six compositions of Al-Cu with 5-30 at. % Cu. To extend the results of the MD simulations to bulk materials, instead of using conventional linear extrapolation methods, a machine learning approach was developed for the dataset acquired from the MD simulations. The bootstrapping approach was utilized to find the most suitable method among the support vector machine (SVM) with polynomial and radial basis function (RBF) kernels and the random forest method. The results showed that the SVM model with RBF kernel performed the best, and thus was used to predict the bulk κl. Subsequently, the chosen compositions were produced by induction casting and their electrical conductivities were measured via eddy current method for calculating the electronic contribution of κ using the Wiedemann–Franz law. Finally, the actual κ of the alloys were measured using the xenon flash method and the results were compared with the computational values. It is shown that the MD method is capable of successfully simulating the thermal conductivity of this system. In addition, the experimental results demonstrate that the κ of Al-Cu eutectics decreases almost linearly with formation of the Al2Cu phase due to increase in the Cu content. Overall, the current findings can be used to enhance the κ of cooling devices made via Al-Cu compound casting.

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Ternary rare-earth aluminum systems with copper: A review and a contribution to their assessment

Riani

Arrighi

Marazza

et al. 2004

J Phs Eqil and Diff

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Constitutional data of the R-Cu-Al systems, with R = rare earth, are summarized and discussed. Crystal structures of the phases formed in the binary boundary systems and in the ternary systems are assessed, and the phase equilibria observed in the reported ternary systems are reviewed with special attention given to the isothermal and polythermal sections of the phase diagrams. Some regularities observed in the trends of the constitutional properties of the ternary R-Cu-Al alloys are briefly described.

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Lattice dynamics and debye temperature of AlCu, AlSi and AlGe alloy systems

Cited by 4 publications

References 8 publications

The Crystallography of Aluminum and Its Alloys

The Crystallography of Aluminum and Its Alloys

Determination of thermal conductivity of eutectic Al–Cu compounds utilizing experiments, molecular dynamics simulations and machine learning

Ternary rare-earth aluminum systems with copper: A review and a contribution to their assessment

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