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The liquidus temperature is an important parameter in understanding the crystalline behavior of materials and in the operation of blast furnaces. Its modeling can be carried out by linear and nonlinear methods through data, considering the…
We propose a novel approach for deformation-aware neural networks that learn the weighting and synthesis of dense volumetric deformation fields. Our method specifically targets the space-time representation of physical surfaces from liquid…
We use nematic Multi-particle Collision Dynamics (N-MPCD) simulations to study confined nematic liquid crystals in square domains, with three distinct mean-field potentials: the classical Maier-Saupe and Marrucci-Greco models, and a more…
Spontaneous onset of a low temperature topologically ordered phase in a 2-dimensional (2D) lattice model of uniaxial liquid crystal (LC) was debated extensively pointing to a suspected underlying mechanism affecting the RG flow near the…
A theoretical analysis is presented of a nematic liquid crystal confined between substrates pat- terned with squares that promote vertical and planar alignment. Two approaches are used to eluci- date the behavior across a wide range of…
We propose a data-driven framework for identifying coarse-grained (CG) Lennard-Jones (LJ) potential parameters in confined systems for simple liquids. Our approach involves the use of a Deep Neural Network (DNN) that is trained to…
In this paper, we consider a hydrodynamic $Q$-tensor system for nematic liquid crystal flow, which is derived from Doi-Onsager molecular theory by the Bingham closure. We first prove the existence and uniqueness of local strong solution.…
Imaging techniques are essential tools for inquiring a number of properties from different materials. Liquid crystals are often investigated via optical and image processing methods. In spite of that, considerably less attention has been…
Recurrent neural networks (RNNs) have led to breakthroughs in natural language processing and speech recognition, wherein hundreds of millions of people use such tools on a daily basis through smartphones, email servers and other avenues.…
Phase-ordering dynamics in nematic liquid crystals has been the subject of much active investigation in recent years in theory, experiments and simulations. With a rapid quench from the isotropic to nematic phase a large number of…
Neural Network Potentials (NNPs) have emerged as a powerful tool for modelling atomic interactions with high accuracy and computational efficiency. Recently, denoising diffusion models have shown promise in NNPs by training networks to…
The full-density-matrix numerical renormalization group (NRG) has evolved as a systematic and transparent setting for the cal- culation of thermodynamical quantities at arbitrary temperatures within the NRG framework. It directly evaluates…
Despite recent advancements in latent diffusion models that generate high-dimensional image data and perform various downstream tasks, there has been little exploration into perceptual consistency within these models on the task of…
Non-equilibrium molecular-scale dynamics, where fast electron transport couples with slow chemical state evolution, underpins the complex behaviors of molecular memristors, yet a general model linking these dynamics to neuromorphic…
We investigate the connections between some simple Maier-Saupe lattice models, with a discrete choice of orientations of the microscopic directors, and a recent proposal of a two-tensor formalism to describe the phase diagrams of nematic…
In this article we discuss nonstationary models for inhomogeneous liquid crystals driven out of equilibrium by flow. Emphasis is put on those models which are used in the mathematics as well as in the physics literature, the overall goal…
We carry out Monte Carlo simulations to investigate the effect of molecular shape on liquid-crystal order. In our approach, each model mesogen consists of several soft spheres bonded rigidly together. The arrangement of the spheres may be…
Diffusion involving atom transport from one location to another governs many important processes and behaviors such as precipitation and phase nucleation. Local chemical complexity in compositionally complex alloys poses challenges for…
We derive a F\"{o}ppl-von K\'{a}rm\'{a}n-type constitutive model for solid liquid crystalline plates where the nematic director may or may not rotate freely relative to the elastic network. To obtain the reduced two-dimensional model, we…
We study planar nematic equilibria on a two-dimensional annulus with strong and weak tangent anchoring, within the Oseen-Frank and Landau-de Gennes theories for nematic liquid crystals. We analyse the defect-free state in the Oseen-Frank…