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A new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular…
Coarse-grained (CG) conformational surface hopping (SH) adapts the concept of multisurface dynamics, initially developed to describe electronic transitions in chemical reactions, to accurately describe classical molecular dynamics at a…
We propose a new framework to compare alternative geostatistical descriptions of a given site. Multiple realizations of each of the considered geostatistical models and their corresponding tomograms (based on inversion of noise-contaminated…
Accounting for elasto-plastic motion in granular media, hypoplasticity is a state-of-the-art constitutive model derived from data accumulated over many decades. In contrast, GSH, a hydrodynamic theory, is derived from general principles of…
The frequency dependence of dielectric material properties of water saturated and unsaturated porous materials such as soil is not only disturbing in applications with high frequency electromagnetic (HF-EM) techniques but also contains…
The Holzapfel-Gasser-Ogden (HGO) model for anisotropic hyperelastic behaviour of collagen fibre reinforced materials was initially developed to describe the elastic properties of arterial tissue, but is now used extensively for modelling a…
The pressure distribution beneath a conical sandpile, created by pouring sand from a point source onto a rough rigid support, shows a pronounced minimum below the apex (`the dip'). Recent work of the authors has attempted to explain this…
We present a framework for calibration of parameters in elastoplastic constitutive models that is based on the use of automatic differentiation (AD). The model calibration problem is posed as a partial differential equation-constrained…
For the over-identified linear instrumental variables model, researchers commonly report the 2SLS estimate along with the robust standard error and seek to conduct inference with these quantities. If errors are homoskedastic, one can…
This paper presents a unified study of four distinct modeling approaches for classifying dysarthria severity in the Speech Analysis for Neurodegenerative Diseases (SAND) challenge. All models tackle the same five class classification task…
Spatially-indexed multivariate data appear frequently in geostatistics and related fields including oceanography and environmental science. To take full advantage of this data structure, cross-covariance functions are constructed to…
The classic elastoplastic-damage constitutive model neglects the effects of loading histories. But in fact, more and more experiments results show that the states of stress can significantly affect the response of metals not only in the…
While the application of the Smoothed Particle Hydrodynamics (SPH) method for the modeling of welding processes has become increasingly popular in recent years, little is yet known about the quantitative predictive capability of this…
The cubic-quintic Swift-Hohenberg equation (SH35) has been proposed as an order parameter description of several convective systems with reflection symmetry in the layer midplane, including binary fluid convection. We use numerical…
The Swift-Hohenberg equation (SHE) is a partial differential equation that explains how patterns emerge from a spatially homogeneous state. It has been widely used in the theory of pattern formation. Following a recent study by Bramburger…
The ground state parameters of the two-dimensional S=1/2 antiferromagnetic Heisenberg model are calculated using the Stochastic Series Expansion quantum Monte Carlo method for L*L lattices with L up to 16. The finite-size results for the…
Constitutive models play a crucial role in materials science as they describe the behavior of the materials in mathematical forms. Over the last few decades, the rapid development of manufacturing technologies have led to the discovery of…
We adapt a modern scheme of smoothed particle hydrodynamics (SPH) to our tree N-body/SPH galactic chemodynamics code GCD+. The applied scheme includes imple- mentations of the artificial viscosity switch and artificial thermal conductivity…
Existing numerical models of the swash zone are relatively inflexible in dealing with sediment transport due to a high dependence of the deployed numerical schemes on empirical sediment transport relations. Moreover, these models are…
Shear wave elastography (SWE) is a promising imaging modality for mechanical characterization of tissues, offering biomarkers with potential for early and precise diagnosis. While various methods have been developed to extract mechanical…