The paper introduces a deep variational framework (DVF) for computing stable configurations of confined smectic liquid crystals using a modified Landau–de Gennes model. By representing orientational and positional order parameters on a regular reference domain and incorporating physical confinement through coordinate mappings, the DVF overcomes spectral bias with a warmup penalty, enabling robust recovery of oscillatory smectic states. The method reproduces known smectic‑A defect structures, predicts new layer morphologies in various confinement geometries, and even forecasts a chevron‑like smectic‑C state on a tangent‑anchored sphere.
arXiv:2608. 13506v1 Announce Type: cross Abstract: Liquids exhibit collective behavior that depends sensitively on thermodynamic conditions, interfaces and confinement, yet predicting each new state commonly requires a separate atomistic simulation.
arXiv:2603.27936v3 Announce Type: replace-cross Abstract: Nonlinear Partial Differential Equations (PDEs) are ubiquitous in mathematical physics and engineering. Although Physics-Informed Neural Netw...
arXiv:2602.03927v2 Announce Type: replace-cross Abstract: When does a fractional quantum Hall (FQH) liquid crystallize? Addressing this question requires a framework that treats fractionalization and...
arXiv:2609.36504v1 Announce Type: new Abstract: Accurate prediction of three-dimensional (3D) microstructure evolution remains computationally demanding because high-fidelity phase-field simulations...
Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution. In practice, these constitutive quantities are rarely known a priori and must be inferred from limited dynamical observations.
arXiv:2609.39773v1 Announce Type: new Abstract: Crystal structure governs material properties, making crystal structure prediction (CSP) a fundamental problem in materials science. Generative models...
arXiv:2603. 11249v4 Announce Type: replace Abstract: Accurate prediction of phase equilibria remains a central challenge in chemical engineering.
arXiv:2608. 07401v1 Announce Type: cross Abstract: The search for new crystalline materials spans an enormous compositional and structural space.
arXiv:2606. 24660v1 Announce Type: cross Abstract: Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution.
EP-Flow introduces a new framework for predicting disordered crystal structures without requiring site-level disorder annotations. It uses an Occupancy Distribution Matrix (ODM) to represent continuous site-by-species occupancies and enforces constraints through a transportation polytope. The method jointly generates occupancies, fractional coordinates, and lattice parameters, achieving state‑of‑the‑art performance on formula‑conditioned disordered CSP benchmarks and recovering chemically meaningful local disorder patterns.
arXiv:2606. 26128v1 Announce Type: new Abstract: The spatiotemporal evolution of many physical, chemical, and biological systems is described by nonlinear partial differential equations (PDEs).
arXiv:2606. 04000v1 Announce Type: cross Abstract: We present a probabilistic modeling framework for incorporating small-scale spatial heterogeneity into macroscopic descriptions of material behavior for polycrystalline metallic materials.