Related papers: On a molecular based Q-tensor model for liquid cry…
We construct a phenomenological Landau-de Gennes theory for hard colloidal rods by performing an order parameter expansion of the chemical-potential dependent grand potential. By fitting the coefficients to known results of Onsager theory,…
We show that nonlinear continuum elasticity can be effective in modeling plastic flows in crystals if it is viewed as Landau theory with an infinite number of equivalent energy wells whose configuration is dictated by the symmetry group…
Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in the canonical ensemble. Analogous simulations are conducted…
Sampling equilibrium ensembles of dense polymer mixtures is a paradigmatically hard problem in computational physics, even in lattice-based models. Here, we develop a formalism based on interacting binary tensors that allows for tackling…
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…
Fine-tuned transformer models have shown superior performances in many natural language tasks. However, the large model size prohibits deploying high-performance transformer models on resource-constrained devices. This paper proposes a…
We derive a microscopic equation of motion for the dynamical orientational correlators of molecular crystals. Our approach is based upon mode coupling theory. Compared to liquids we find four main differences: (i) the memory kernel contains…
We study the quantum metric tensor and its scalar curvature for a particular version of the Lipkin-Meshkov-Glick model. We build the classical Hamiltonian using Bloch coherent states and find its stationary points. They exhibit the presence…
We present a numerically efficient density-matrix model applicable to midinfrared quantum cascade lasers. The model is based on a Markovian master equation for the density matrix that includes in-plane dynamics, preserves positivity of the…
Simulation within the grand canonical ensemble is the method of choice for accurate studies of first order vapour-liquid phase transitions in model fluids. Such simulations typically employ sampling that is biased with respect to the…
In this paper, we present a general numerical platform for designing accurate, efficient, and stable numerical algorithms for incompressible hydrodynamic models that obeys the thermodynamical laws. The obtained numerical schemes are…
We present a rigorous mathematical analysis of a modified Landau-de Gennes (LdG) theory modeling temperature-driven phase transitions between cholesteric, helical smectic, and smectic C* phases. This model couples a tensor-valued order…
We introduce a framework suitable for describing pattern recognition task using the mathematical language of density matrices. In particular, we provide a one-to-one correspondence between patterns and pure density operators. This…
In this paper we find an analytical solution of the equilibrium ion distribution for a toroidal model of a ionic channel, using the Perfect Screening Theorem (PST). The ions are charged hard spheres, and are treated using a variational Mean…
We present a family of solvable models of interacting particles in high dimensionalities without quenched disorder. We show that the models have a glassy regime with aging effects. The interaction is controlled by a parameter $p$. For $p=2$…
The motion of the three-phase contact line between two immiscible fluids and a solid surface arises in a variety of wetting phenomena and technological applications. One challenge in continuum theory is the effective representation of…
We present a convergence analysis of an unconditionally energy-stable first-order semi-discrete numerical scheme designed for a hydrodynamic Q-tensor model, the so-called Beris-Edwards system, based on the Invariant Energy Quadratization…
We introduce a simple spherical model whose structural properties are similar to the ones generated by models with directional interactions, by employing a binary mixture of large and small hard spheres, with a square-well attraction acting…
Defects in liquid crystals are of great practical importance and theoretical interest. Despite tremendous efforts, predicting the location and transition of defects under various topological constraint and external field remains to be a…
The phase behaviour and dynamics of molecular ionic liquids are studied using primitive models and extensive computer simulations. The models account for size disparity between cation and anion, charge location on the cation, and…