journal article·2021-07-17Open access

From Bend to Splay Dominated Elasticity in Nematics

Davide Revignas, Alberta Ferrarini

Crystals· Volume 11· Issue 7

Abstract

In the past decade, much evidence has been provided for an unusually low cost for bend deformations in the nematic phase of bent-core mesogens and bimesogens (liquid crystal dimers) having a bent shape on average. Recently, an analogous effect was observed for the splay mode of bent-core mesogens with an acute apical angle. Here, we present a systematic computational investigation of the Frank elastic constants of nematics made of V-shaped particles, with bend angles ranging from acute to obtuse. We show that by tuning this angle, the elastic behavior switches from bend dominated (K33>K11) to splay dominated (K11>K33), with anomalously low values of the splay and the bend constant, respectively. This is related to a change in the shape polarity of particles, which is associated with the emergence of polar order, longitudinal for splay and transversal for bend deformations. Crucial to this study is the use of a recently developed microscopic elastic theory, able to account for the interplay of mesogen morphology and director deformations.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Liquid Crystal Research Advancements · Advanced Materials and Mechanics · Plant Reproductive Biology

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Department of Chemical Sciences, University of Padova, Via Marzolo 1, 35131 Padova, Italy

Funding

Fondazione Cassa di Risparmio di Padova e Rovigo

References (59)

Show source-provided references
1. The theory of liquid crystals10.1039/tf9332900883 ↗
2. I. Liquid crystals. On the theory of liquid crystals10.1039/df9582500019 ↗
3. Selinger, J.V. (2021). Director Deformations, Geometric Frustration, and Modulated Phases in Liquid Crystals. arXiv.10.1146/annurev-conmatphys-031620-105712 ↗
4. Inherent Bounds to the Elasticity and Flexoelectricity of Liquid Crystals10.1080/15421407408084818 ↗
5. R. Balian, G.W. (1976). Structural Problems in Liquid Crystal Physics. Molecular Fluids (Les Houches Summer School in Theoretical Physics, 1973), Gordon and Breach.
6. Elastic properties of the nematic phase influenced by molecular properties10.1063/1.1681895 ↗
7. On the spontaneous symmetry breaking in the mesophases of achiral banana-shaped molecules10.1209/epl/i2001-00513-x ↗
8. Bend elastic modulus of a bent and a straight dimeric liquid crystal10.1051/jp2:1992186 ↗
9. Bend elasticity of mixtures of V-shaped molecules in ordinary nematogens10.1103/PhysRevE.62.5056 ↗
10. Anomalous temperature dependence of elastic constants in the nematic phase of binary mixtures made of rodlike and bent-core molecules10.1103/PhysRevLett.99.247802 ↗
11. Splay bend elasticity of a bent-core nematic liquid crystal10.1103/PhysRevE.82.050701 ↗
12. Permittivity, Conductivity, Elasticity, and Viscosity Measurements in the Nematic Phase of a Bent-Core Liquid Crystal10.1021/jp905879n ↗
13. Elastic constants and orientational viscosities of a bent-core nematic liquid crystal10.1103/PhysRevE.83.031701 ↗
14. Flexoelectric measurements of a bent-core nematic liquid crystal10.1103/PhysRevE.84.031708 ↗
15. Chemically induced twiat-bend nematic liquid crystals, liquid crystal dimers, and negative elastic constants10.1103/PhysRevE.88.022503 ↗
16. Elastic properties of bimesogenic liquid crystals10.1080/02678292.2013.765973 ↗
17. Elastic and viscous properties of the nematic dimer CB7CB10.1103/PhysRevE.96.062704 ↗
18. Crucial role of molecular curvature for the bend elastic and exoelectric properties of liquid crystals: Mesogenic dimers as a case study10.1039/c1jm12233a ↗
19. Nematic twist-bend phase with nanoscale modulation of molecular orientation10.1038/ncomms3635 ↗
20. Chiral heliconical ground state of nanoscale pitch in a nematic liquid crystal of achiral molecular dimers10.1073/pnas.1314654110 ↗
21. Twist-bend heliconical chiral nematic liquid crystal phase of an achiral rigid bent-core mesogen10.1103/PhysRevE.89.022506 ↗
22. Biaxiality-driven twist-bend to splay-bend nematic phase transition induced by an electric field10.1126/sciadv.abb8212 ↗
23. Shaping colloidal bananas to reveal biaxial, splay-bend nematic, and smectic phases10.1126/science.abb4536 ↗
24. Physics of liquid crystals of bent-shaped molecules10.1103/RevModPhys.90.045004 ↗
25. Statistical mechanics of bend flexoelectricity and the twist-bend phase in bent-core liquid crystals10.1103/PhysRevE.87.052503 ↗
26. Phase behavior and properties of the liquid-crystal dimer 1”,7”-bis(4-cyano- biphenyl-4’-yl) heptane: A twist-bend nematic liquid crystal10.1103/PhysRevE.84.031704 ↗
27. From the Molecular Structure to Spectroscopic and Material Properties: Computational Investigation of a Bent-Core Nematic Liquid Crystal10.1002/cphc.201301030 ↗
28. Density functional theory of nematic elasticity: Softening from the polar order10.1039/C6SM00624H ↗
29. Effect of polar intermolecular interactions on the elastic constants of bent-core nematics and the origin of the twist-bend phase10.1140/epje/i2016-16045-2 ↗
30. The influence of structure on the elastic, optical and dielectric properties of nematic phases formed from bent-core molecules10.1039/c3tc31545b ↗
31. The elastic and optical properties of a bent-core thiadiazole nematic liquid crystal: The role of the bend angle10.1039/c3tc00852e ↗
32. Anomalously low twist and bend elastic constants in an oxadiazole—based bent—Core nematic liquid crystal and its mixtures; contributions of spontaneous chirality and polarity10.1039/C7TC04664B ↗
33. Statistical mechanics of splay flexoelectricity in nematic liquid crystals10.1103/PhysRevE.81.031704 ↗
34. Density functional theory of the elastic constants of a nematic liquid crystal10.1080/00268979100100641 ↗
35. Two-Dimensional Skyrmion Lattice Formation in a Nematic Liquid Crystal Consisting of Highly Bent Banana Molecules10.1002/anie.201606388 ↗
36. Liquid crystal phases with unusual structures and physical properties formed by acute-angle bent core molecules10.1103/PhysRevResearch.2.033371 ↗
37. Interplay of Particle Morphology and Director Distortions in Nematic Fluids10.1103/PhysRevLett.125.267802 ↗
38. Revignas, D., and Ferrarini, A. (2021). Microscopic modelling of nematic elastic constants beyond Straley theory. J. Chem. Phys., submitted.10.1039/D1SM01502H ↗
39. Frank elastic constants of the hard-rod liquid crystal10.1103/PhysRevA.8.2181 ↗
40. The effects of shape on the interaction of colloidal particles10.1111/j.1749-6632.1949.tb27296.x ↗
41. Nematic ordering in a system of rods10.1103/PhysRevA.19.1225 ↗
42. A numerical investigation of nematic ordering based on a simple hard-rod model10.1063/1.452811 ↗
43. Modified parsons-lee theory for fluids of linear fused hard sphere chains10.1080/00268970009483337 ↗
44. McQuarrie, D.A. (1976). Statistical Mechanics, Harper & Row.
45. Theory of the Frank Elastic Constants of Nematic Liquid Crystals10.1103/PhysRevA.7.720 ↗
46. Molecular theory of curvature elasticity in nematic liquids10.1063/1.443867 ↗
47. Reduced surface: An efficient way to compute molecular surfaces10.1002/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y ↗
48. Press, W.H., Flannery, B.P., Teukolsky, S.A., and Vetterling, W.T. (1986). Numerical Recipes: The Art of Scientific Computing, Cambridge University Press.10.1016/S0003-2670(00)82860-3 ↗
49. Convergence properties of the Nelder–Mead simplex method in low dimensions10.1137/S1052623496303470 ↗
50. MATLAB (2017). 9.2.0.538062 (R2017a), The MathWorks Inc.
51. Luckhurst, G.R., and Sluckin, T.J. (2015). Biaxial Nematic Liquid Crystals, John Wiley & Sons Ltd.10.1002/9781118696316 ↗
52. Biaxial, Twist-bend, and Splay-bend Nematic Phases of Banana-shaped Particles Revealed by Lifting the “Smectic Blanket”10.1103/PhysRevLett.123.068001 ↗
53. A molecular field theory for uniaxial nematic liquid crystals formed by non-cylindrically symmetric molecules10.1080/00268977500102881 ↗
54. Inequalities in Liquid Crystal Theory10.1063/1.1761821 ↗
55. Entropy-Driven Chiral Order in a System of Achiral Bent Particles10.1103/PhysRevLett.115.147801 ↗
56. Phase behavior of bent-core molecules10.1103/PhysRevE.67.011703 ↗
57. Musevic, I. (2017). Liquid Crystal Colloids, Springer.10.1007/978-3-319-54916-3 ↗
58. Review: Knots and other new topological effects in liquid crystals and colloids10.1088/1361-6633/abaa39 ↗
59. Tunable structure and dynamics of active liquid crystals10.1126/sciadv.aat7779 ↗