相关论文: Topological Graph-based Analysis of Solid-State Io…

Ion migration in WO$_3$ is a critical process for various technological applications, such as in batteries, electrochromic devices and energy-efficient brain-inspired computing devices. In this study, we investigate the migration mechanisms…

Kinetic equations for the stationary state distribution function of ions moving through narrow pores are solved for a number of one-dimensional models of single ion transport. Ions move through pores of length $L$, under the action of a…

Ion transport is an essential operation in some models of quantum information processing, where fast ion shuttling with minimal motional excitation is necessary for efficient, high-fidelity quantum logic. While fast and cold ion shuttling…

Interacting many-particle systems can self-organize into a rich variety of crystalline structures. While symmetry provides a powerful framework for predicting whether transitions between crystal states are continuous or discontinuous,…

We study the metastable behaviour of a stochastic system of particles with hard-core interactions in a high-density regime. Particles sit on the vertices of a bipartite graph. New particles appear subject to a neighbourhood exclusion…

Many ion channels spontaneously switch between different levels of activity. Although this behaviour known as modal gating has been observed for a long time it is currently not well understood. Despite the fact that appropriately…

We propose a microscopic, first-principles description of the ionic conduction in crystals. This formalism allows us to gain new insights into the ideal characteristics of general ionic conducting materials and, in particular, solid…

Quantum processors based on linear arrays of trapped ions have achieved exceptional performance, but scaling to large qubit numbers requires realizing two-dimensional ion arrays as envisioned in the quantum charge-coupled device (QCCD)…

Continuous-time quantum walk describes the propagation of a quantum particle (or an excitation) evolving continuously in time on a graph. As such, it provides a natural framework for modeling transport processes, e.g., in light-harvesting…

Crystal structure prediction algorithms have become powerful tools for materials discovery in recent years, however, they are usually limited to relatively small systems. The main challenge is that the number of local minima grows…

Graph neural ordinary differential equations (Graph ODEs) extend graph learning from discrete message-passing layers to continuous-time representation flows. While it supports adaptive long-range propagation, we show that Graph ODEs with…

Predicting and directing polymorphic transformations is a critical challenge in zeolite synthesis. Although interzeolite transformations enable selective crystallization, their design lacks predictions to connect framework similarity and…

Ionic liquid (IL) gating has emerged as a powerful tool to control the structural, electronic, optical, and magnetic properties of materials by driving ion motion at solid interfaces. In magneto-ionic systems, electric fields are used to…

Topology diagrams are widely seen in power system applications, but their automatic generation is often easier said than done. When facing power transmission systems with strongly-meshed structures, existing approaches can hardly produce…

Superionic conductors, or solid-state ion-conductors surpassing 0.01 S/cm in conductivity, can enable more energy dense batteries, robust artificial ion pumps, and optimized fuel cells. However, tailoring superionic conductors require…

Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport dynamics, and practical performance are of considerable…

Strong gradient regions in tokamaks, such as the pedestal or internal transport barriers, are regions of reduced turbulence where neoclassical transport can play a dominant role. However, standard neoclassical transport theory assumes that…

This paper deals with dynamical networks for which the relations between node signals are described by proper transfer functions and external signals can influence each of the node signals. In particular, we are interested in…

Graphical models are a succinct way to represent the structure in probability distributions. This article analyzes the graphical model of nodal voltages in non-radial power distribution grids. Using algebraic and structural properties of…

The visualization of hierarchically structured data over time is an ongoing challenge and several approaches exist trying to solve it. Techniques such as animated or juxtaposed tree visualizations are not capable of providing a good…