相关论文: Modeling of disordered materials: radial distribut…
There are various routes for deriving partial radial distribution functions of disordered systems from experimental diffraction (and/or EXAFS) data. Due to limitations and errors of experimental data, as well as to imperfections of the…
Context: Seamless model-based development provides integrated chains of models, covering all software engineering phases. Non-functional requirements (NFRs), like reusability, further play a vital role in software and systems engineering,…
We investigate the nonlinear vibration of a fractional viscoelastic cantilever beam, subject to base excitation, where the viscoelasticity takes the general form of a distributed-order fractional model, and the beam curvature introduces…
Accurate modeling of ultrasound wave propagation is essential for high-fidelity simulation and imaging in ultrasonic testing. A primary challenge lies in characterizing the excitation source, particularly for transducers with large…
As a complementary tool to laboratory experiments, discrete numerical simulation, applied to granular materials, provides valuable information on the grain and contact scale microstructure, thereby enabling one to better understand the…
This paper discusses some features of the spectral line profile theory used in the treatment of measured atomic transitions. It is shown that going beyond the established linear approximation for the spectral line contour in the case of its…
We consider a particle that is subject to a constant force and scatters inelastically on a vibrating periodically corrugated floor. At small friction and small radius of the circular scatterers the dynamics is dominated by resonances…
It would be interesting to investigate the accuracy of the results obtained in the variational method, because it is important for studying hadron spectra. One can define some criteria to judge the accuracy, or the quality of the trial…
The reliability of the approximations commonly adopted in the calculation of static optical (hyper)polarizabilities is tested against exact results obtained for an interesting toy-model. The model accounts for the principal features of…
Accurate computational predictions of metal-organic frameworks (MOFs) and their properties is crucial for discovering optimal compositions and applying them in relevant technological areas. This work benchmarks density functional theory…
Reaction-Diffusion (RD) systems provide a computational framework that governs many pattern formation processes in nature. Current RD system design practices boil down to trial-and-error parameter search. We propose a differentiable…
Multi-dimensional spectroscopy represents a particularly insightful tool for investigating the interplay of nuclear and electronic dynamics, which plays an important role in a number of photophysical processes and photochemical reactions.…
Optical fibres are essential for many types of highly-multiplexed and precision spectroscopy. The success of the new generation of multifibre instruments under construction to investigate fundamental problems in cosmology, such as the…
Resonator networks are ubiquitous in natural and engineered systems, such as solid-state materials, neural tissue, and electrical circuits. To understand and manipulate these networks, it is essential to characterize their building blocks,…
The anharmonic decay rates of atomic vibrations in amorphous silicon (a-Si) and paracrystalline silicon (p-Si), containing small crystalline grains embedded in a disordered matrix, are calculated using realistic structural models. The…
Conformational changes drive protein function, including catalysis, allostery, and signaling. X-ray diffuse scattering from protein crystals has frequently been cited as a probe of these correlated motions, with significant potential to…
Modeling of phenomena such as anomalous transport via fractional-order differential equations has been established as an effective alternative to partial differential equations, due to the inherent ability to describe large-scale behavior…
Infrared vibration-rotation lines can be valuable probes of interstellar and circumstellar molecules, especially symmetric molecules, which have no pure rotational transitions. But most such observations have been interpreted with an…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…
We propose a test for model specification of a parametric diffusion process based on a kernel estimation of the transitional density of the process. The empirical likelihood is used to formulate a statistic, for each kernel smoothing…