Related papers: Decoding the mechanisms of phase transitions from …
Scanning transmission electron microscopy (STEM) is an indispensable tool for atomic-resolution structural analysis for a wide range of materials. The conventional analysis of STEM images is an extensive hands-on process, which limits…
The potential of mean-field decomposition techniques in interpreting electronic transitions in molecules is explored, particularly, the usefulness of these for offering computational signatures of different classes of such excitations. When…
Monte Carlo simulations with an effective Hamiltonian parametrized from first principles are performed to study the dielectric response of BaTiO3 as a function of temperature, with particular emphasis on the behavior of the dielectric…
Data-dependent metrics are powerful tools for learning the underlying structure of high-dimensional data. This article develops and analyzes a data-dependent metric known as diffusion state distance (DSD), which compares points using a…
Rising atmospheric carbon dioxide due to human activities through fossil fuel emissions and land use changes have increased climate extremes such as heat waves and droughts that have led to and are expected to increase the occurrence of…
The reliability of any day-to-day material is critically dictated by its properties. One factor which governs the behaviour of a material, under a given condition, is the microstructure. Despite the absence of any phase transformation, a…
The highly energetic electrons in a transmission electron microscope (TEM) can alter or even completely destroy the structure of samples before sufficient information can be obtained. This is especially problematic in the case of zeolites,…
The question on the dominant driving mechanism (displacive or order-disorder) at each structural phase transition of KNbO3 is investigated by means of molecular dynamics simulations. To this purpose, we first develop a shell model by…
This paper presents an innovative method using Latent Diffusion Models (LDMs) to generate temperature fields from phase indicator maps. By leveraging the BubbleML dataset from numerical simulations, the LDM translates phase field data into…
Environmental and climate processes are often distributed over large space-time domains. Their complexity and the amount of available data make modelling and analysis a challenging task. Statistical modelling of environment and climate data…
A review of the present state of investigations of the pseudospin-electron model (PEM), which is used in the theory of strongly correlated electron systems, is given. The model is used to describe the systems with the locally anharmonic…
We introduce FlowTIE, a neural-network-based framework for phase reconstruction from 4D-Scanning Transmission Electron Microscopy (STEM) data, which integrates the Transport of Intensity Equation (TIE) with a flow-based representation of…
The problem of identifying the phase of a given system for a certain value of the temperature can be reformulated as a classification problem in Machine Learning. Taking as a prototype the Ising model and using the Support Vector Machine as…
Statistical spin dynamics plays a key role to understand the working principle for novel optical Ising machines. Here we propose the gauge transformations for spatial photonic Ising machine, where a single spatial phase modulator…
The large electrocaloric coupling in PbZrO3 allows using high-speed infrared imaging to visualize antiferroelectric switching dynamics via the associated temperature change. We find that in ceramic samples of homogeneous temperature and…
Cryo-Electron Tomography (cryo-ET) is a 3D imaging technology that enables the visualization of subcellular structures in situ at near-atomic resolution. Cellular cryo-ET images help in resolving the structures of macromolecules and…
Measurement error is ubiquitous in many variables - from blood pressure recordings in physiology to intelligence measures in psychology. Structural equation models (SEMs) account for the process of measurement by explicitly distinguishing…
Pixelated detectors in scanning transmission electron microscopy (STEM) generate large volumes of data, often tens to hundreds of GB per scan. However, to make current advancements scalable and enable widespread adoption, it is essential to…
I define a statistical model of graphs in which 2-dimensional spaces arise at low temperature. The configurations are given by graphs with a fixed number of edges and the Hamiltonian is a simple, local function of the graphs. Simulations…
Active thermal management requires advances in thermal switching materials, whose thermal conductivity responds to external stimuli. The electric field, as one of the most convenient and effective stimuli, has shown great potential in…