A Comparative Study of Elastic Constants and Eigenvalues ofStiffness Matrices among Liquid Crystalline Compounds 4,4'-di-3-alkyl ‎azoxybenzene and 4,4'-di-4-alkyl azoxybenzene‎

  • Authors

    • Srinivas Parashivamurthy Department of Physics, Maharani’s Science College for Women, Mysuru- 570005, Karnataka, India
    • Nandakumar. V. Department of Physics, Maharani’s Science College for Women, Mysuru- 570005, Karnataka, India
    • Ravishankar. D.K. Department of Chemistry, Maharani’s Science College for Women, Mysuru- 570005, Karnataka, India
    • Jagadeesha Kandigowda Department of Physics, Maharani’s Science College for Women, Mysuru- 570005, Karnataka, India
    • Ananda Halahali Thimmaiah Department of Physics, Maharani’s Science College for Women, Mysuru- 570005, Karnataka, India
    https://doi.org/10.14419/xgeqdj77

    Received date: November 21, 2025

    Accepted date: February 8, 2026

    Published date: February 25, 2026

  • Liquid Crystalline Compounds; Liquid Crystal Displays; Elastic Constants; Eigenvalues; GULP;ELATE‎.
  • Abstract

    This study investigates the elastic stiffness constants, elastic moduli and eigen values of the ‎stiffness matrix of nematic liquid crystalline compounds 4,4'-di-3-alkyl azoxybenzene and ‎‎4,4'-di-4-alkyl azoxybenzene using two different computational processes, viz.,General ‎Utility Lattice Program (GULP) and the ELATE Program from reported experimental data ‎of cell parameters. The study also attempts to predict the liquid crystal structure in terms of ‎elastic constants. Elastic constats determine the thermal stability, stiffness and degree of ‎molecular order, which determines the range of temperature of the liquid crystalline phase. ‎This study included the comparison of different physical parameters of the above ‎compounds and also made an attempt to understand the reason why 4,4'-di-3-alkyl ‎azoxybenzene exhibits the mesophase for a wider range of temperature(42°C)than smaller ‎mesophase range of temperature(9°C)in 4,4'-di-4-alkyl azoxybenzene. The two ‎dimensional representation of the variation of elastic moduli of the above compounds, ‎which explore the stability of crystals are also discussed. The study revealed that the elastic ‎stiffness constants, elastic moduli, anisotropy of elastic moduli and eigen values of the ‎stiffness matrix of liquid crystalline compound 4,4'-di-3-alkyl azoxybenzene are more than ‎those of 4,4'-di-4-alkyl azoxybenzene. The two dimensional variation of Young’s modulus, ‎shear modulus and Poisson’s ratio in xy-plane, xz-plane and yz-plane is more in 4,4'-di-3-‎alkyl azoxybenzene compared tothat in 4,4'-di-4-alkyl azoxybenzene. Interestingly, the ‎linear compressibility of compound 4,4'-di-4-alkyl azoxybenzene in xy-plane ,xz-plane and ‎yz-plane is more compared to linear compressibility of compound 4,4'-di-3-alkyl ‎azoxybenzene. The higher value of elastic moduli and eigenvalues of the stiffness matrix in ‎‎4,4'-di-3-alkyl azoxybenzene indicates that the intermolecular force is stronger and resists ‎reorientation more, which may stabilize the nematic phase for a wider range of ‎temperature(temperature range of 42°C) compared to that in 4,4'-di-4-alkyl azoxybenzene ‎‎(temperature range of 9°C). Poisson’s ratio of 4,4'-di-3-alkyl azoxybenzene is negative, ‎which specifically for display devices, can contribute to improved flexibility, ‎responsiveness and better display.

  • References

    1. De Gennes P.G. and Prost.J, The Physics of Liquid Crystals, Claredon Press, oxford,second,paperbackedition,1995
    2. Tabe,Y; Urayama,K; Matsuyama,A.Physics of liquid crystals.2014.https://doi.org/10.1007/978-4-431-54859-1_10.
    3. Melle,M.et.al.,Nanoconfinement –Induced Structures in Chiral Liquid Crystals. Int J MolSci 2013., Vol7.14.https://doi.org/10.3390/ijms140917584.
    4. Uchida,J.;Soberats,B.;Guptha,M;Kato, Advanced Functional Liquid crystals.AdvancedMaterials2022,34.https://doi.org/10.1002/adma.202109063.
    5. Verma, R.K, Elasticity of some high density crystals, Journal of Geophysical Research., 65, 757-66(1960).https://doi.org/10.1029/JZ065i002p00757.
    6. Chandrashekar.S,et.al., Molecular statistical theory of liquid crystals II. Relation between elasticity and Orentational order. Acta Crystallographic Section A,Vol28.https://doi.org/10.1107/S0567739472000051.
    7. Srinivas,P,et.al., Topological analysis and molecular modeling of liquid crystalline p-azoxyanisolean azobenzene compounds. Pramana- J.Phys, Vol12,2023.pp97-102.https://doi.org/10.1007/s12043-023-02568-3.
    8. Günay, E. (Ed.). (2019). Elasticity of Materials: Basic Principles and Design of Structures.IntechOpen, 106. https://doi.org/10.5772/intechopen.71471.
    9. Jamal, M., Asadabadi, S. J., Ahmad, I., and Aliabad, H. R. (2014). Elastic constants of cubic crystals. Computational Materials Science, 95, 592-599.https://doi.org/10.1016/j.commatsci.2014.08.027.
    10. Günay, E. (Ed.). (2019). Elasticity of Materials: Basic Principles and Design of Structures.IntechOpen, 106. https://doi.org/10.5772/intechopen.71471.
    11. Robert Dinnebier.et.al.,Bulk modulus and high pressure crystal structures of tetrakis methane Determined by x-ray diffraction. Acta Crystallographic Section B. structural science,April2000. https://doi.org/10.1107/S0108768199014044.
    12. Mahadeva, J and Govindaiah.T.N, Optical and Electro optical studies on liquid crystallinematerial, Mol.cryst.liq.cryst.,631-646(2016).https://doi.org/10.1080/15421406.2016.1149020.
    13. Berrow, S. R., Raistrick, T., Mandle, R. J., & Gleeson, H. F. (2025). Auxetic Liquid Overcoming Barriers to Scale-Up.ACS Crystal Elastomers:7(7), 4517-4524.https://doi.org/10.1021/acsapm.5c00212.
    14. Zhang, C., Wei, N., Gao, E., and Sun, Q. (2020). Poisson’s ratio of two-dimensional hexagonal crystals: A mechanics model study. ExtremeMechan-ics Letters, 38, 100748.https://doi.org/10.1016/j.eml.2020.100748.
    15. Bai, Y., &Brassart, L. (2025). Mechanics of liquid crystal inclusions in soft matrices. Journal of the Mechanics and Physics of Solids, 197, 106070. https://doi.org/10.1016/j.jmps.2025.106070.
    16. Joseph Castellano, Liquid Crystal Materials for Display Devices in book Physics and Chemistry of Liquid Crystal Devices, pp263-287,Plenum Press.1980.https://doi.org/10.1007/978-1-4899-2183-3_19.
    17. Dongarra, J. J., Moler, C. B., & Wilkinson, J. H. (1983). Improving the accuracy ofcomputed eigenvalues and eigenvectors.SIAM Journal on Nu-merical Analysis, 20(1),23- 45.https://doi.org/10.1137/0720002.
    18. Roychoudhury, M., Ojha, D. P., &Sanyal, N. K. (1988). Intermolecular Interactions in 4, 4′-di-n-propoxy-azoxybenzene. Part I .Theoretical. Mo-lecular Crystals and Liquid Crystals, 163(1), 189-210.https://doi.org/10.1080/00268948808081998.
    19. Das, P., Narayan Biswas, A., Choudhury, A., Bandyopadhyay, P., Haldar, S., Mandal, P. K., &Upreti, S. (2008). Novel synthetic route to liquid crystalline 4, 4′‐bis (n‐alkoxy) azoxybenzene: spectral characterisation,mesogenic behavior and crystal structure of two new members. Liquid Crys-tals, 35(5), 541-548. https://doi.org/10.1080/02678290802015705.
    20. Emsley, J. W. (2025). The structure and orientationalorderof molecules in nematic liquid crystal phases. Progress in Nuclear Magnetic Resonance Spectroscopy,101576.https://doi.org/10.1016/j.pnmrs.2025.101576.
    21. Shivaprakash, Ν. C., Abdoh, Μ. Μ. Μ.,& Prasad, J. S.Crystal structure of nematogenic 4, 4'-bis (pentyloxy) azoxy benzene. ZeitschriftfürKristallog-raphie-Crystalline Materials, 172(1-4), 79-88. (1985).https://doi.org/10.1524/zkri.1985.172.14.79.
    22. Emsley, J. W. (2025). The structure and orientationalorderof molecules in nematic liquid crystal phases. Progress in Nuclear Magnetic Resonance Spectroscopy,101576.https://doi.org/10.1016/j.pnmrs.2025.101576.
    23. Gale,J.D.;Rohl,A.L. The General Utility Lattice Program(GULP). MolSimul 2003.29.https://doi.org/10.1080/0892702031000104887.
    24. Maurya, M., Somashekarappa, H., Nandaprakash, M. B., Kumaraswamy, S. R., Hemalatha, K., &Somashekar, R. (2023). Molecular Dynamic Study of Abrasive Wear, Viscosity and Moduli of UDMA: A Component of Dental Composite. Journal of Polymer Science and Engineering, 6.https://doi.org/10.24294/jpse.v6i1.2360.
    25. Day, G. M., Price, S. L., & Leslie, M. (2001). Elastic constant calculations for molecular organic crystals. Crystal Growth & Design, 1(1), 13-27.https://doi.org/10.1021/cg0055070.
    26. http://progs.coudert.name/elate.
  • Downloads

  • How to Cite

    Parashivamurthy, S., V., N., D.K., R., Kandigowda , J. ., & Thimmaiah , A. H. . (2026). A Comparative Study of Elastic Constants and Eigenvalues ofStiffness Matrices among Liquid Crystalline Compounds 4,4’-di-3-alkyl ‎azoxybenzene and 4,4’-di-4-alkyl azoxybenzene‎. International Journal of Basic and Applied Sciences, 15(2), 31-37. https://doi.org/10.14419/xgeqdj77