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A real-space formalism for density-functional perturbation theory (DFPT) is derived and applied for the computation of harmonic vibrational properties in molecules and solids. The practical implementation using numeric atom-centered…

材料科学 · 物理学 2017-03-08 Honghui Shang , Christian Carbogno , Patrick Rinke , Matthias Scheffler

We present an exact solution of a confined model of the non-relativistic quantum harmonic oscillator, where the effective mass and the angular frequency are dependent on the position. The free Hamiltonian of the proposed model has the form…

量子物理 · 物理学 2020-12-02 E. I. Jafarov , S. M. Nagiyev , R. Oste , J. Van der Jeugt

In this article we present the numerical simulation of a dislocation incorporated into a Cosserat plate. The simulation is based on the mathematical model for bending of Cosserat elastic plates recently developed by the authors. The…

软凝聚态物质 · 物理学 2022-10-06 Lev Steinberg , Roman Kvasov

In this paper, we develop a virtual element method (VEM) of high order to solve the fourth order plate buckling eigenvalue problem on polygonal meshes. We write a variational formulation based on the Kirchhoff-Love model depending on the…

数值分析 · 数学 2020-02-19 David Mora , Iván Velásquez

A new approach to calculate the vibrational distribution function of molecules in a medium providing energy for vibrational excitation is proposed and demonstrated. The approach is an improvement of solution methods based on the…

化学物理 · 物理学 2018-09-11 Paola Diomede , Mauritius C. M. van de Sanden , Savino Longo

We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…

材料科学 · 物理学 2025-06-11 Nikhil Kodali , Phani Motamarri

We consider a charged particle driven by a time-dependent flux threading a quantum ring. The dynamics of the charged particle is investigated using classical treatment, Fourier expansion technique, time-evolution method, and…

介观与纳米尺度物理 · 物理学 2008-07-29 Pi-Gang Luan , Chi-Shung Tang

In this article, eigenfrequencies of nano-beams under axial loads are assessed by making recourse to the well-posed stress-driven nonlocal model (SDM) and strain-driven two-phase local/nonlocal formulation (NstrainG) of elasticity and…

We study the eigenvalues and eigenfunctions of a differential operator that governs the asymptotic behavior of the unsupervised learning algorithm known as Locally Linear Embedding when a large data set is sampled from an interval or disc.…

偏微分方程分析 · 数学 2025-01-17 Andrew Lyons

Strong-form meshless methods received much attention in recent years and are being extensively researched and applied to a wide range of problems in science and engineering. However, the solution of elasto-plastic problems has proven to be…

数值分析 · 数学 2023-10-02 Gašper Vuga , Boštjan Mavrič , Božidar Šarler

The computation of scattering poles for a sound-soft obstacle is investigated. These poles correspond to the eigenvalues of two boundary integral operators. We construct novel decompositions of these operators and show that they are…

数值分析 · 数学 2025-10-07 Yunyun Ma , Jiguang Sun

The two-field vibroacoustic finite-element (FE) model requires a relatively large number of degrees of freedom compared to the monophysics model, and the conventional force identification method for structural vibration can be adjusted for…

计算工程、金融与科学 · 计算机科学 2022-11-23 Seungin Oh , Chang-uk Ahn , Kwanghyun Ahn , Jin-Gyun Kim

Nonlinear relaxation dynamics of a vertically-vibrated granular pile is experimentally studied. In the experiment, the flux and slope on the relaxing pile are measured by using a high-speed laser profiler. The relation of these quantities…

软凝聚态物质 · 物理学 2018-03-28 Daisuke Tsuji , Michio Otsuki , Hiroaki Katsuragi

A numerically efficient framework that takes into account the effect of the Coulomb collision operator at arbitrary collisionalities is introduced. Such model is based on the expansion of the distribution function on a Hermite-Laguerre…

等离子体物理 · 物理学 2019-04-18 R. Jorge , P. Ricci , N. F. Loureiro

We provide an empirical process theory for locally stationary processes over nonsmooth function classes. An important novelty over other approaches is the use of the flexible functional dependence measure to quantify dependence. A…

统计理论 · 数学 2021-08-20 Nathawut Phandoidaen , Stefan Richter

We study the dynamics of electrons in crystalline solids in the presence of inhomogeneous external electric and magnetic fields. We present a manifestly gauge-invariant operator-based approach without relying on a semiclassical wavepacket…

介观与纳米尺度物理 · 物理学 2025-03-17 Chen Xu , Andreas Haller , Suraj Hegde , Tobias Meng , Thomas L. Schmidt

A method is presented for tracing the locus of a specific peak in the frequency response under variation of a parameter. It is applicable to periodic, steady-state vibrations of harmonically forced nonlinear mechanical systems. It operates…

计算工程、金融与科学 · 计算机科学 2021-01-01 Alwin Förster , Malte Krack

The purpose of this paper is to analyze a mixed method for linear elasticity eigenvalue problem, which approximates numerically the stress, displacement, and rotation, by piecewise $(k+1)$, $k$ and $(k+1)$-th degree polynomial functions…

数值分析 · 数学 2023-03-31 Xiang Zhong , Weifeng Qiu

In a recent work (Phys.Rev.C84, 044321, 2011) M.J. Ermamatov and P.R. Fraser have studied rotational and vibrational excited states of axially symmetric nuclei within the Bohr Hamiltonian with different mass parameters. However, the energy…

核理论 · 物理学 2015-10-28 M. Chabab , A. Lahbas , M. Oulne

The nonrigid alignment between a pre-operative biomechanical model and an intra-operative observation is a critical step to track the motion of a soft organ in augmented surgery. While many elastic registration procedures introduce…

最优化与控制 · 数学 2022-06-23 Guillaume Mestdagh , Stéphane Cotin