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Phase diagram of a biaxial nematogenic lattice model: A Monte Carlo simulation study

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  • Debnath, Mrinal Kanti
  • Pramanick, Soumyajit
  • DasGupta, Sudeshna
  • Ghoshal, Nababrata

Abstract

The phase diagram for a lattice system of biaxial molecules possessing D2h symmetry and interacting with the Straley’s quadrupolar pair potential in Sonnet–Virga–Durand parameterization (Sonnet et al., 2003) has been determined using Monte Carlo simulation. Our results confirm that the nematogenic model yields both the uniaxial and biaxial nematic macroscopic phases along with a tricritical point in the transition from uniaxial to biaxial nematics as has been predicted in mean field theory. By analyzing the behavior of a free-energy-like function, derived from the probability distributions of energy, the order of phase transitions is detected. A conclusive numerical evidence in support of the existence of a tricritical point on the uniaxial–biaxial transition line in the phase diagram is reported. Although the nature of the phase diagram is qualitatively identical as obtained in the mean field study however the location of triple point differs significantly from theoretical prediction.

Suggested Citation

  • Debnath, Mrinal Kanti & Pramanick, Soumyajit & DasGupta, Sudeshna & Ghoshal, Nababrata, 2025. "Phase diagram of a biaxial nematogenic lattice model: A Monte Carlo simulation study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 674(C).
    • Handle: RePEc:eee:phsmap:v:674:y:2025:i:c:s0378437125003498
    DOI: 10.1016/j.physa.2025.130697
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    References listed on IDEAS

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    1. Romano, Silvano, 2004. "Computer simulation of a biaxial nematogenic model on a three-dimensional lattice and based on a recently proposed interaction potential," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 337(3), pages 505-519.
    2. Romano, Silvano, 2004. "Computer simulation study of a biaxial nematogenic lattice model associated with a three-dimensional lattice and involving dispersion interactions," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 339(3), pages 511-530.
    3. Geoffrey R. Luckhurst, 2004. "A missing phase found at last?," Nature, Nature, vol. 430(6998), pages 413-414, July.
    4. Romano, Silvano, 2004. "Computer simulation study of a biaxial nematogenic lattice model associated with a two-dimensional lattice," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 339(3), pages 491-510.
    5. Cesare Chiccoli & Paolo Pasini & Franco Semeria & Claudio Zannoni, 1999. "A Detailed Monte Carlo Investigation Of The Tricritical Region Of A Biaxial Liquid Crystal System," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 10(02n03), pages 469-476.
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