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We describe a real-space approach to the calculation of the properties of an insulating crystal in an applied electric field, based on the iterative determination of the Wannier functions (WF's) of the occupied bands. It has been recently…

Condensed Matter · Physics 2009-10-22 R. W. Nunes , David Vanderbilt

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

Tunneling through a localized barrier in a one-dimensional interacting electron gas has been studied recently using Luttinger liquid techniques. Stable phases with zero or unit transmission occur, as well as critical points with universal…

Condensed Matter · Physics 2009-10-22 Eugene Wong , Ian Affleck

A new method for identifying crystalline phases in X-ray diffraction data has been proposed, which is especially useful for the study of multiphase materials (more than eight - ten phases) with a relatively low content (less than 1 - 3…

Materials Science · Physics 2021-08-17 A. D. Skorbun , S. V. Gabielkov , I. V. Zhyganiuk

Promoted by the advent of coherent synchrotron light sources, phase contrast tomography allows to resolve three-dimensional variations of an unknown sample's complex refractive index from scattering intensities recorded at different…

Numerical Analysis · Mathematics 2015-02-19 Simon Maretzke

In many scientific applications, the target probability distribution cannot be evaluated in closed form or sampled from directly. Instead, it can often be decomposed into multiple components, some of which are accessible only through…

Methodology · Statistics 2026-03-10 Roxana Darvishi , David C. Stenning , Ted von Hippel , Owen G. Ward

The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible…

Soft Condensed Matter · Physics 2014-01-28 Simon Praetorius , Axel Voigt , Raphael Wittkowski , Hartmut Löwen

A new method for characterization of periodically poled crystals is developed based on spontaneous parametric down-conversion. The method is demonstrated on crystals of Y:LiNbO3, Mg:Y:LiNbO3 with non-uniform periodically poled structures,…

In dental cone-beam computed tomography (CBCT), compact and cost-effective system designs often use small detectors, resulting in a truncated field of view (FOV) that does not fully encompass the patient's head. In iterative reconstruction…

Computer Vision and Pattern Recognition · Computer Science 2025-08-12 Hyoung Suk Park , Kiwan Jeon

The direct parametrisation method for invariant manifold is a model-order reduction technique that can be applied to nonlinear systems described by PDEs and discretised e.g. with a finite element procedure in order to derive efficient…

Numerical Analysis · Mathematics 2024-03-19 Alessandra Vizzaccaro , Giorgio Gobat , Attilio Frangi , Cyril Touzé

A basic principle in crystal structure determination is that there should be proper distances between adjacent atoms. Therefore, detection of atom bumping is of fundamental significance in structure determination, especially in the direct…

Materials Science · Physics 2017-09-06 Yu Liu

We present a three-dimensional (3D) common-refinement method for non-matching meshes between discrete non-overlapping subdomains of incompressible fluid and nonlinear hyperelastic structure. To begin, we first investigate the accuracy of…

Computational Physics · Physics 2018-08-15 Yulong Li , Yun Zhi Law , Vaibhav Joshi , Rajeev Kumar Jaiman

Phase retrieval, a nonlinear problem prevalent in imaging applications, has been extensively studied using random models, some of which with i.i.d. sensing matrix components. While these models offer robust reconstruction guarantees, they…

Optics · Physics 2024-09-10 Zhiyuan Hu , Julián Tachella , Michael Unser , Jonathan Dong

For many profilometry techniques, phase unwrapping is one of the most challenging process. In order to sidestep the phase unwrapping process, Perciante et. al [Appl Opt 2015; 54(10):3018-23] proposed a wrapping-free method based on the…

Data Analysis, Statistics and Probability · Physics 2017-06-28 Minmin Wang , Canlin Zhou , Shuchun Si , XiaoLei Li , Zhenkun Lei , YanJie Li

The analysis of intermittent data is improved. The standard method of recovering the history of a particle cascade is proved in general not to reproduce the structure of the true cascade. The recovering corrections to the standard method…

High Energy Physics - Phenomenology · Physics 2011-09-13 B. Ziaja

If the phase retrieval problem can be solved by a method similar to that of solving a system of linear equations under the context of FFT, the time complexity of computer based phase retrieval algorithm would be reduced. Here I present such…

Numerical Analysis · Mathematics 2013-05-20 Yuan Sun

A new automated method capable of accurately identifying bursting periods in single-point turbulent velocity field records is presented. Manual selection of the method sensitivity (tau*) and threshold (eT) are necessary for effective…

Fluid Dynamics · Physics 2022-09-07 Roni Hilel Goldshmid , Dan Liberzon

Numerical simulations and finite-size scaling analysis have been carried out to study standard and inverse percolation of straight rigid rods on triangular lattices. In the case of standard (inverse) percolation, the lattice is initially…

Statistical Mechanics · Physics 2021-07-07 L. S. Ramirez , P. M. Pasinetti , W. Lebrecht , A. J. Ramirez-Pastor

A unified form of time-reversal symmetry (TRS) breaking terms in phononic crystals, leading to nontrivial phononic topology, has been proposed recently, but is contradicted by some other works which introduce gyroscopic effect as…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 Jingtian Shi

Fast and accurate prediction of optimal crystal structure, topology, and microstructures is important for accelerating the design and discovery of new materials. A challenge lies in the exorbitantly large structural and compositional space…