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The effective, fast transport of matter through porous media is often characterized by complex dispersion effects. To describe in mathematical terms such situations, instead of a simple macroscopic equation (as in the classical Darcy's…

Numerical Analysis · Mathematics 2025-05-06 Surendra Nepal , Vishnu Raveendran , Michael Eden , Rainey Lyons , Adrian Muntean

We present an extensive direct numerical simulation of statistically steady, homogeneous, isotropic turbulence in two-dimensional, binary-fluid mixtures with air-drag-induced friction by using the Cahn-Hilliard-Navier-Stokes equations. We…

Fluid Dynamics · Physics 2016-11-16 Nairita Pal , Prasad Perlekar , Anupam Gupta , Rahul Pandit

We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…

Chemical Physics · Physics 2019-11-27 Michael Eickenberg , Georgios Exarchakis , Matthew Hirn , Stéphane Mallat , Louis Thiry

This work describes models and numerical approximations that describe the mechanical behavior of deformable continua with embedded structural members, such as rigid bodies, beams, shells, etc. The continuum formulation extends an idea first…

Numerical Analysis · Mathematics 2025-09-10 David Portillo , Ignacio Romero

The strengths and short-comings of the point-dipole model for polar fluids of spherical molecules are illustrated by considering the physically more relevant case of extended dipoles formed by two opposite charges $\pm q$ separated by a…

Statistical Mechanics · Physics 2009-11-10 V. Ballenegger , J. P. Hansen

The velocity of dislocations is derived analytically to incorporate and predict the intriguing effects induced by the preferential solute segregation and Cottrell atmospheres in both two-dimensional and three-dimensional binary systems of…

Materials Science · Physics 2021-05-14 Marco Salvalaglio , Axel Voigt , Zhi-Feng Huang , Ken R. Elder

Over the past decade, experimental microscopy and spectroscopy have made significant progress in the study of the morphological, optical, electronic and transport properties of materials. These developments include higher spatial…

Materials Science · Physics 2025-02-12 Simone Taioli , Maurizio Dapor

Scientists, engineers, biologists, and technology specialists universally leverage image segmentation to extract shape ensembles containing many thousands of curves representing patterns in observations and measurements. These large curve…

Computer Vision and Pattern Recognition · Computer Science 2026-01-09 Zachary Grey , Nicholas Fisher , Andrew Glaws

We report extensive molecular-dynamics simulation results for binary mixtures of hard spheres for different size disparities and different mixing percentages,for packing fractions up to 0.605 and over a characteristic time interval spanning…

Soft Condensed Matter · Physics 2007-05-23 G. Foffi , W. Gotze , F. Sciortino , P. Tartaglia , Th. Voigtmann

Dielectric tensor tomography is an imaging technique for mapping three-dimensional distributions of dielectric properties in transparent materials. This work introduces an enhanced illumination strategy employing a micro-electromechanical…

Density-functional studies of the electronic structures and exchange interaction parameters have been performed for a series of ferromagnetic full Heusler alloys of general formula Co$_2$MnZ (Z = Ga, Si, Ge, Sn), Rh$_2$MnZ (Z = Ge, Sn, Pb),…

Materials Science · Physics 2009-11-10 Yasemin Kurtulus , Richard Dronskowski , German Samolyuk , Vladimir P. Antropov

Hybridization effects play a crucial role in determining the electronic properties of hybrid inorganic/organic interfaces. To gain insight into these important interactions, we perform a first-principles study based on hybrid…

Materials Science · Physics 2022-04-06 Jannis Krumland , Caterina Cocchi

For binary solvent mixtures composed of ions and two kinds of polar solvents, electric double layer near a charged object is strongly affected by not only the binary solvent composition but also nature of solvents such as volume and dipole…

Soft Condensed Matter · Physics 2022-02-11 Jun-Sik Sin , Chung-Sik Sin

In our previous papers we have described efficient and reliable methods of generation of representative volume elements (RVE) perfectly suitable for analysis of composite materials via stochastic homogenization. In this paper we profit from…

Computational Engineering, Finance, and Science · Computer Science 2015-04-10 Vladimir Salnikov , Sophie Lemaitre , Daniel Choï , Philippe Karamian-Surville

Recent probing of H2O-D2O mixtures by various means (neutron deep-inelastic scattering, Raman absorption, electrical H+/D+ conductivity) revealed an unexpected dependence of the relevant physical quantities on the isotopic composition of…

Statistical Mechanics · Physics 2007-05-23 M. Buzzacchi , E. Del Giudice , G. Preparata

Previous calculations of the dielectric and optical properties of 2D materials often overlooked or circumvented the influence of vacuum spacing introduced in periodic calculations, which gave rise to mispredictions of the intrinsic…

Materials Science · Physics 2021-10-26 Guang Yang , Shang-Peng Gao

One of the central appealing properties of magnetic gels and elastomers is that their elastic moduli can reversibly be adjusted from outside by applying magnetic fields. The impact of the internal magnetic particle distribution on this…

Soft Condensed Matter · Physics 2014-10-22 Giorgio Pessot , Peet Cremer , Dmitry Y. Borin , Stefan Odenbach , Hartmut Löwen , Andreas M. Menzel

Piezoelectric devices, such as piezoelectric traveling wave rotary ultrasonic motors, have composite piezoelectric structures. A composite piezoelectric structure consists of a combination of two or more bonded materials, where at least one…

Numerical Analysis · Mathematics 2011-09-08 Valentin Bolborici , Francis P. Dawson , Mary C. Pugh

Periodic optical structures, such as diffraction grating and numerous photonic crystals, are one of the staples of modern nanophotonics for the manipulation of electromagnetic radiation. The array of subwavelength dielectric rods is one of…

Starting from space-discretisation of Maxwell's equations, various classical formulations are proposed for the simulation of electromagnetic fields. They differ in the phenomena considered as well as in the variables chosen for…

Numerical Analysis · Mathematics 2019-04-09 Idoia Cortes Garcia , Sebastian Schöps , Herbert De Gersem , Sascha Baumanns
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