相关论文: Simulating the nematic-isotropic phase transition …
Molecular dynamics (MD) simulations were conducted using the generalized replica exchange method (gREM) on the 4-cyano-4$^{\prime}$-$n$-alkylbiphenyl ($n$CB) system with $n=5$, 6, 7, and 8, which exhibits a nematic-isotropic (NI) phase…
We propose a replica-exchange method (REM) which does not use pseudo random numbers. For this purpose, we first give a conditional probability for Gibbs sampling replica-exchange method (GSREM) based on the heat bath method. In GSREM,…
We propose a new implementation of the replica-exchange method (REM) in which replicas follow a pre-planned route in temperature space instead of a random walk. Our method satisfies the detailed balance condition in the proposed route. The…
Contemporary work implies generative machine learning models are capable of learning the phase behavior in condensed matter systems such as the Ising model. In this Letter, we utilize a score-based modeling procedure called Thermodynamic…
Dynamic simulations of the isotropic-nematic phase transformation of liquid crystal droplets under homeotropic anchoring are found to predict chiral symmetry-breaking dynamics. These observations occur when using material parameters for…
A computational study of morphological instabilities of a two-dimensional nematic front under directional growth was performed using a Landau-de Gennes type quadrupolar tensor order parameter model for the first-order isotropic/nematic…
Nanoconfined liquid crystals (LCs) and their nanocomposites are driving the next generation of photonic applications. Consequently, deepening our understanding of mesophase stability, defect topology, and the dynamic response of LCs at the…
The study of the mean-field static solution of the Random Blume-Emery-Griffiths-Capel model, an Ising-spin lattice gas with quenched random magnetic interaction, is performed. The model exhibits a paramagnetic phase, described by a stable…
We studied the nematic isotropic phase transition by applying the functional renormalization group to the Landau-de Gennes model. We derived the flow equations for the effective potential as well as the cubic and quartic "couplings" and the…
Landau - de Gennes mean field model predicts the discontinuous transition for the Isotropic - Nematic transition, associated with uniaxial and quadrupolar order parameter in three dimensions. This report shows pressure-related dielectric…
We study the mean-field static solution of the Blume-Emery-Griffiths-Capel model with quenched disorder, an Ising-spin lattice gas with quenched random magnetic interaction. The thermodynamics is worked out in the Full Replica Symmetry…
We develop a novel method of replica-exchange molecular dynamics (REMD) simulation, mass-scaling REMD (MSREMD) method, which improves trajectory accuracy at high temperatures, and thereby contributes to numerical stability. In addition, the…
A possibility was assessed to modify physico-chemical properties of ferronematic mixtures by introducing additional mesogenic and non-mesogenic components. The mixture, consisting of RM734 and DIO at the 70:30 weight ratio of the…
The effects of multiwalled carbon nanotubes (NTs) on low-temperature phase transformations in 5CB were studied by means of differential scanning calorimetry (DSC), low-temperature photoluminescence and measurements of electrical…
Phase behavior of liquid crystals is of long-standing interest due to numerous applications, with one of the key issues being how the presence of impurities affects the liquid crystalline order. Here we study the orientational order of…
We present a high accuracy Monte Carlo simulation study of the Isotropic - Nematic phase transition of a lattice dispersion model of biaxial liquid crystals. The NI coexistence curve terminating at the Landau critical point have been…
We demonstrate that a first order isotropic-to-nematic phase transition in liquid crystals can be succesfully modeled within the generalized Landau-de Gennes theory by selecting an appropriate combination of elastic constants. The numerical…
An extension to a high-order model for the direct isotropic/smectic-A liquid crystalline phase transition was derived to take into account thermal effects including anisotropic thermal diffusion and latent heat of phase-ordering.…
Molecular dynamics simulations of selected members of the cyano-biphenyl series of dimers (CBnCB) have been set up using atomistic detail interactions among intermolecular pairs of united atoms and allowing fully for the flexibility of the…
Simulations of nematic-isotropic transition of liquid crystals in two dimensions are performed using an O(2) vector model characterised by non linear nearest neighbour spin interaction governed by the fourth Legendre polynomial $P\_4$. The…