The Extreme Values of Young’s Modulus and the Negative Poisson’s Ratios of Rhombic Crystals

• Published in: Crystals (Basel) Vol. 11; no. 8; p. 863
• Main Authors: Gorodtsov, Valentin A., Lisovenko, Dmitry S.
• Format: Journal Article
• Language: English
• Published: Basel MDPI AG 01.08.2021
• Subjects: Aluminum; Anisotropy; auxetics; Compliance; Copper; Crystals; Deformation; Diamonds; Elastic properties; elasticity; Extreme values; Modulus of elasticity; Monte Carlo simulation; Nickel; Poisson's ratio; rhombic crystals; Symmetry; Young’s modulus
• ISSN: 2073-4352; 2073-4352
• DOI: 10.3390/cryst11080863

The extreme values of Young’s modulus for rhombic (orthorhombic) crystals using the necessary and sufficient conditions for the extremum of the function of two variables are analyzed herein. Seven stationary expressions of Young’s modulus are obtained. For three stationary values of Young’s modulus, simple analytical dependences included in the sufficient conditions for the extremum of the function of two variables are revealed. The numerical values of the stationary and extreme values of Young’s modulus for all rhombic crystals with experimental data on elastic constants from the well-known Landolt-Börnstein reference book are calculated. For three stationary values of Young’s modulus of rhombic crystals, a classification scheme based on two dimensionless parameters is presented. Rhombic crystals ((CH3)3NCH2COO·(CH)2(COOH)2, I, SC(NH2)2, (CH3)3NCH2COO·H3BO3, Cu-14 wt%Al, 3.0wt%Ni, NH4B5O8·4H2O, NH4HC2O4·1/2H2O, C6N2O3H6 and CaSO4) having a large difference between maximum and minimum Young’s modulus values were revealed. The highest Young’s modulus among the rhombic crystals was found to be 478 GPa for a BeAl2O4 crystal. More rigid materials were revealed among tetragonal (PdPb2; maximum Young’s modulus, 684 GPa), hexagonal (graphite; maximum Young’s modulus, 1020 GPa) and cubic (diamond; maximum Young’s modulus, 1207 GPa) crystals. The analytical stationary values of Young’s modulus for tetragonal, hexagonal and cubic crystals are presented as special cases of stationary values for rhombic crystals. It was found that rhombic, tetragonal and cubic crystals that have large differences between their maximum and minimum values of Young’s modulus often have negative minimum values of Poisson’s ratio (auxetics). We use the abbreviated term auxetics instead of partial auxetics, since only the latter were found. No similar relationship between a negative Poisson’s ratio and a large difference between the maximum and minimum values of Young’s modulus was found for hexagonal crystals.