Temperature dependence of the elastic constants of aluminum

Tallon, J. L.; Wolfenden, A

doi:10.1016/0022-3697(79)90037-4

Cited by 166 publications

(44 citation statements)

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“…Moreover, the puzzling hardening of C 12 reported by Tallon 5 , if true, may indicate unexpected significant anharmonic phenomena in a metal that is normally considered to be slightly anharmonic at most. In this work, we try to address these important issues by using two different computational techniques---electronic structure calculations based on Density Functional Theory [14][15][16] as well as classical Molecular Dynamics (MD)---to determine the temperature dependence of the elastic tensor of aluminum and complement these simulations with state-of-the-art Resonant Ultrasound Spectroscopy (RUS) measurements 13,17 .…”

Section: Introductionmentioning

confidence: 96%

“…As an example, we summarize in Figure 1 published experimental data on the adiabatic C 12 elastic constant of fcc aluminum as a function of temperature from four different studies [2][3][4][5] . In these studies, the elastic constants were determined by identifying the resonant frequencies of single crystalline specimens within the kHz-to-MHz range.…”

Section: Introductionmentioning

confidence: 99%

“…Given the fact that aluminum has been one of the most widely characterized and simulated metals 2,[4][5][6][7][8][9][10][11][12] , these results are rather surprising. However, it is important to note that the accurate determination of elastic constants through resonance techniques is far from trivial 13 , and the actual results are subject to non-negligible degrees of interpretation.…”

Section: Introductionmentioning

confidence: 99%

“…Based on the published experimental results [2][3][4][5] alone, it is impossible to determine a priori which of the published data most accurately represents the actual thermo-elastic behavior of fcc aluminum. Moreover, the puzzling hardening of C 12 reported by Tallon 5 , if true, may indicate unexpected significant anharmonic phenomena in a metal that is normally considered to be slightly anharmonic at most.…”

Section: Introductionmentioning

confidence: 99%

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Finite-temperature elasticity of fcc Al: Atomistic simulations and ultrasonic measurements

et al. 2011

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Though not very often, in literature there are cases where discrepancies exist in temperature dependence of elastic constants of materials. A particular example of this case is the behavior of C 12 coefficient of a simple metal, aluminum. Here, we attempt to provide insight into various contributions to temperature-dependence in elastic properties by investigating the thermo-elastic properties of fcc aluminum as a function of temperature through the use of two computational techniques and experiments. First, ab initio calculations based on density functional theory (DFT) are used in combination with quasi-harmonic theory to calculate the elastic constants at finite temperatures through a strain-free energy approach. Molecular dynamics (MD) calculations using tight-binding potentials are then used to extract the elastic constants through a fluctuation-based formalism. Through this dynamic approach, the different contributions (Born, kinetic and stress fluctuations) to the elastic constants are isolated and the underlying physical basis for the observed thermally-induced softening is elucidated. The two approaches are then used to shed light on the relatively large discrepancies in the reported temperature dependence of the elastic constants of fcc aluminum. Finally, the polycrystalline elastic constants (and their temperature dependence) of fcc aluminum are determined using Resonant Ultrasound Spectroscopy (RUS) and compared to previously published data as well as the atomistic calculations performed in this work.

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Section: Introductionmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Finite-temperature elasticity of fcc Al: Atomistic simulations and ultrasonic measurements

et al. 2011

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“…% Ga is also plotted. The Poisson's ratios of aluminum 91,92 , austenitic steel 93 , α-Fe 94 and diamond 95,96 are plotted for comparison. 97 α-Pu, β-Pu and γ-Pu (and δ-Pu 2.36 at.…”

Section: Datamentioning

confidence: 99%

Temperature dependence of elastic moduli of polycrystalline β plutonium

et al. 2011

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The elastic moduli of pure polycrystalline beta plutonium were measured over its full range of existence (417 K to 491 K) using resonant ultrasound spectroscopy. The Debye temperature (138 K), Poisson's ratio (0.28), Grüneisen parameter (2.3), and the zerotemperature atomic volume (21.2 Å 3 ) were computed from the measurements. Both bulk and shear moduli decrease smoothly on warming with expected discontinuities at the phase boundaries. The shear modulus is surprisingly nearly the same for beta and gamma Pu. The temperature dependence of bulk moduli for beta Pu is, like gamma Pu, unusually small. Poisson's ratio shows very strong differences among alpha, beta, and gamma Pu indicating they are entirely different metals. The zero-temperature elastic moduli were computed for the three phases as well as for gallium-stabilized delta Pu (also measured by us) and compared to calculations.PACS numbers: 62.20. de, 63.70.+h, 65.40.G-, 62.20.dj

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