Young’s modulus and Poisson’s ratio for seven-constant tetragonal crystals and nano/microtubes

Goldstein, R. V.; Городцов, В. А.; Lisovenko, D. S.

doi:10.1134/s1029959915030054

Cited by 25 publications

(13 citation statements)

References 9 publications

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“…An analysis of average Poisson's ratio have shown that all hexagonal crystals have positive Poisson's ratio [9]. We note that more than four hundred crystals with negative Poisson's ratio (auxetics) are detected for crystals of other crystalline systems [5][6][7][8][11][12][13][14][15][16][17][18][19][20][21][22][23][24]. The least number of auxetics is found among hexagonal crystals, and the largest amount is detected among cubic crystals (more than three hundred).…”

Section: Introductionmentioning

confidence: 72%

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

Komarova

Городцов

Lisovenko

2018

IOP Conf. Ser.: Mater. Sci. Eng.

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Abstract. In this paper, the variability of elastic characteristics (Young's modulus and Poisson's ratio) of hexagonal crystals has been studied. Analytic expressions for Young's modulus and Poisson's ratio are obtained. Stationary values for these elastic characteristics are found. Young's modulus has three stationary values, and Poisson's ratio has eight stationary values. Numerical analysis of these elastic characteristics for hexagonal crystals is given based on the experimental data from the Landolt-Börnstein handbook. Global extrema of Young's modulus and Poisson's ratio for hexagonal crystals are found. Crystals are found in which the maximum values exceeds the upper limit for isotropic materials.

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Section: Introductionmentioning

confidence: 72%

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

Komarova

Городцов

Lisovenko

2018

IOP Conf. Ser.: Mater. Sci. Eng.

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“…In Voigt's notation for body-centered tetragonal structures, Poisson's ratio for the normal direction n, when the elongation happens along direction l, can be written as [56]:…”

Section: Anisotropy Of Elastic Propertiesmentioning

confidence: 99%

Elastic anisotropy and thermal properties of extended linear chain compounds MV2Ga4 (M = Sc, Zr, Hf) from ab-initio calculations

et al. 2018

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MV 2 Ga 4 (M = Sc, Zr, Hf) compounds belong to an emerging class of materials showing a unique combination of unusual superconducting behavior with extended linear chains in the crystal structure. In order to gain insights into its mechanical and thermal properties, we have performed first-principles electronic-structure calculations in the framework of the Density Functional Theory (DFT). From the calculated second-order elastic constants, we have systematically shown that the extended linear vanadium chain substructures indeed give rise to an anisotropic regime in the elastic and mechanical moduli. The high density of valence and conduction electrons along the linear vanadium chains leads to a directional dependence of the reciprocal linear compressibility, Young's modulus and shear modulus. Poisson's ratio for several elongation directions is also drastically affected by the presence of extended V chains. If the elongation is along the V chains, all compounds exhibit practically the same Poisson ratio in directions perpendicular to it, further highlighting the importance of the V chains to the mechanical properties. Moreover, based on our results, we have discussed the possible consequences of the elastic anisotropy on the superconducting properties of the compounds. Finally, using the Debye-Grüneisen approximation, our calculations of thermal properties show a good agreement with the available experimental low temperature heat capacity data above the superconducting critical temperature.

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“…Structures considered in the present work belong to different crystal systems. For many anisotropic materials of various crystal systems (cubic, hexagonal, rhombohedral, tetragonal , orthorhombic , monoclinic, and triclinic) negative Poisson's ratio was observed. To date, more than 450 crystals with negative Poisson's ratio (auxetic crystals) were found.…”

Section: Introductionmentioning

confidence: 99%

Elastic Properties of Fullerites and Diamond‐Like Phases

Rysaeva

Baimova

Lisovenko

et al. 2018

Physica Status Solidi (b)

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Diamond‐like structures, that include sp2 and sp3 hybridized carbon atoms, are of considerable interest nowadays. In the present work, various carbon auxetic structures are studied by the combination of molecular dynamics (MD) and analytical approach. Two fullerites based on the fullerene C60 and fullerene‐like molecule C48 are investigated as well as diamond‐like structures based on other fullerene‐like molecules (called fulleranes), carbon nanotubes (called tubulanes) and graphene sheets. MD is used to find the equilibrium states of the structures and calculate compliance and stiffness coefficients for stable configurations. Analytical methods are used to calculate the engineering elastic coefficients (Young's modulus, Poisson's ratio, shear modulus and bulk modulus), and to study their transformation under rotation of the coordinate system. All the considered structures are partial auxetics with the negative value of Poisson's ratio for properly chosen tensile directions. It is shown that some of these structures, in a particular tension direction, have a very high Young's modulus, that is, 1852 GPa for tubulane TA6.

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Young’s modulus and Poisson’s ratio for seven-constant tetragonal crystals and nano/microtubes

Cited by 25 publications

References 9 publications

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

Variability of Young’s modulus and Poisson’s ratio of hexagonal crystals

Elastic anisotropy and thermal properties of extended linear chain compounds MV2Ga4 (M = Sc, Zr, Hf) from ab-initio calculations

Elastic Properties of Fullerites and Diamond‐Like Phases

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