High-temperature elastic constants of gold single-crystals

Collard, Stephen M.; McLellan, Rex B.

doi:10.1016/0956-7151(91)90048-6

Cited by 56 publications

(25 citation statements)

References 28 publications

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“…Our DFT calculations of C 11 , C 12 , and C 44 capture the expected asymptotic linear reduction with temperature, saturating at a finite value near the melting point, as often exhibited by other cubic crystals (32). It is encouraging that, although DFT calculations have sometimes been found to poorly predict C 44 (33), our DFT prediction of C 44 for room temperature value agrees well with experimental data (1.14% difference).…”

supporting

confidence: 80%

Enhanced strength and temperature dependence of mechanical properties of Li at small scales and its implications for Li metal anodes

Ahmad

Aryanfar

et al. 2016

Proc. Natl. Acad. Sci. U.S.A.

247

191

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Most next-generation Li ion battery chemistries require a functioning lithium metal (Li) anode. However, its application in secondary batteries has been inhibited because of uncontrollable dendrite growth during cycling. Mechanical suppression of dendrite growth through solid polymer electrolytes (SPEs) or through robust separators has shown the most potential for alleviating this problem. Studies of the mechanical behavior of Li at any length scale and temperature are limited because of its extreme reactivity, which renders sample preparation, transfer, microstructure characterization, and mechanical testing extremely challenging. We conduct nanomechanical experiments in an in situ scanning electron microscope and show that micrometer-sized Li attains extremely high strengths of 105 MPa at room temperature and of 35 MPa at 90°C. We demonstrate that single-crystalline Li exhibits a power-law size effect at the micrometer and submicrometer length scales, with the strengthening exponent of −0.68 at room temperature and of −1.00 at 90°C. We also report the elastic and shear moduli as a function of crystallographic orientation gleaned from experiments and first-principles calculations, which show a high level of anisotropy up to the melting point, where the elastic and shear moduli vary by a factor of ∼4 between the stiffest and most compliant orientations. The emergence of such high strengths in small-scale Li and sensitivity of this metal's stiffness to crystallographic orientation help explain why the existing methods of dendrite suppression have been mainly unsuccessful and have significant implications for practical design of future-generation batteries.dendrite | size effect | elastic anisotropy | dislocation | elevated temperature I ncreased adoption of electric vehicles requires an improvement in the energy density of rechargeable Li ion batteries. Li metal anode is a common and necessary ingredient in commercialization pathways for next-generation Li ion batteries. In the near term, Li metal coupled with an advanced cathode could lead to a specific energy of 400 Wh/kg at the cell level, which represents 200% improvement over current state of the art (1). In the longer term, Li metal coupled with a S and O 2 cathode could lead to even higher specific energies of >500 Wh/kg. Despite over 40 y of research, overcoming the uncontrollable dendrite growth during cycling has remained an insurmountable obstacle for Li-based components (2). Among multiple attempted approaches to eliminate or even reduce the dendrite growth, mechanical suppression has emerged as one of the most promising routes. In their pioneering theoretical work, Monroe et al. (3) considered a solid polymer electrolyte (SPE) in contact with a Li metal electrode and performed a linear stability analysis of the deformation at the interface. They used linear elasticity to compute the stresses generated at the interface due to small deformations. They found that the dendrite growth decays with time if the shear modulus of the SPE is higher than about t...

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supporting

confidence: 80%

Enhanced strength and temperature dependence of mechanical properties of Li at small scales and its implications for Li metal anodes

Ahmad

Aryanfar

et al. 2016

Proc. Natl. Acad. Sci. U.S.A.

247

191

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“…For example, for bulk Cu, a temperature increase of 200°C leads to a 20 GPa decrease in modulus. 24 Elastic modulus temperature data for bulk Cu and Au 25,26 is also presented in Table I, for comparison. Although not originally expected, the thermal drift-corrected elastic-modulus data in Table I shows that the temperature effect is more pronounced for nanocrystalline Au and Cu thin films, compared to the bulk Au and Cu.…”

Section: Discussionmentioning

confidence: 99%

Nanoindentation of Au and Pt/Cu thin films at elevated temperatures

2004

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This paper describes the nanoindentation technique for measuring sputter-deposited Au and Cu thin films' mechanical properties at elevated temperatures up to 130°C. A thin, 5-nm Pt layer was deposited onto the Cu film to prevent its oxidation during testing. Nanoindentation was then used to measure elastic modulus and hardness as a function of temperature. These tests showed that elastic modulus and hardness decreased as the test temperature increased from 20 to 130°C. Cu films exhibited higher hardness values compared to Au, a finding that is explained by the nanocrystalline structure of the film. Hardness was converted to the yield stress using both the Tabor relationship and the inverse method (based on the Johnson cavity model). The thermal component of the yield-stress dependence followed a second-order polynomial in the temperature range tested for Au and Pt/Cu films. The decrease in yield stress at elevated temperatures accounts for the increased interfacial toughness of Cu thin films.

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“…The linear temperature dependence is suggested by available P = 0 experimental data on G over the temperature range 0 ≤ T ≤ T m [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19]. This straight-line representation turns out to be quite accurate: the maximum deviation of the data from the corresponding fitted lines is ∼ 5 % for 21 of the 22 metals analyzed in [30].…”

Section: Experimental Verificationmentioning

confidence: 99%

“…In Fig. 1 we compare G(ρ(T ), T ) for 0 ≤ T ≤ T m at P = 0 for Au and Cu to experimental data [2,10]. The temperature dependence of the density was taken from ref.…”

Section: Experimental Verificationmentioning

confidence: 99%

Analytic model of the shear modulus at all temperatures and densities

2003

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An analytic model of the shear modulus applicable at temperatures up to melt and at all densities is presented. It is based in part on a relation between the melting temperature and the shear modulus at melt. Experimental data on argon are shown to agree with this relation to within 1%. The model of the shear modulus involves seven parameters, all of which can be determined from zero-pressure experimental data. We obtain the values of these parameters for 11 elemental solids. Both the experimental data on the room-temperature shear modulus of argon to compressions of ∼ 2.5, and theoretical calculations of the zero-temperature shear modulus of aluminum to compressions of ∼ 3.5 are in good agreement with the model. Electronic structure calculations of the shear moduli of copper and gold to compressions of 2, performed by us, agree with the model to within uncertainties.

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High-temperature elastic constants of gold single-crystals

Cited by 56 publications

References 28 publications

Enhanced strength and temperature dependence of mechanical properties of Li at small scales and its implications for Li metal anodes

Enhanced strength and temperature dependence of mechanical properties of Li at small scales and its implications for Li metal anodes

Nanoindentation of Au and Pt/Cu thin films at elevated temperatures

Analytic model of the shear modulus at all temperatures and densities

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