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Improvement of numerical methods for calculating charge transport quantities of materials from the Boltzmann transport equation (BTE) is important for prediction of material properties. In particular, techniques which allow for more…
The effects of shear on energy release rate and mode mixity in a symmetric sandwich beam with isotropic layers and a debond crack at the face sheet/core interface are investigated through a semi-analytic approach based on two-dimensional…
Electronic and atomic structures of the clean, and As and Te covered Si(211) surface are studied using pseudopotential density functional method. The clean surface is found to have (2 X 1) and rebonded (1 X 1) reconstructions as stable…
The conversion of magnetic energy into other forms during solar flares is one of the outstanding open problems in solar physics. It is generally accepted that magnetic reconnection plays a crucial role in these conversion processes. To…
We investigate the electronic structure of $2H$-$\mathrm{Nb}\mathrm{S}_2$ and $h$-$\mathrm{BN}$ by angle-resolved photoemission spectroscopy (ARPES) and photoemission intensity calculations. Although in bulk form, these materials are…
This paper presents a technique for stress and fracture analysis by using the scaled boundary finite element method (SBFEM) with quadtree mesh of high-order elements. The cells of the quadtree mesh are modelled as scaled boundary polygons…
We address the effect of particle scattering on the energy spectra of solar energetic electron events using i) an observational and ii) a modeling approach. i) We statistically study observations of the STEREO spacecraft making use of…
Determining accurate absolute surface energies for polar surfaces of semiconductors has been a great challenge in decades. Here, we propose pseudo-hydrogen passivation to calculate them, using density functional theory approaches. By…
Stacking fault energy (SFE) is of the most critical microstructure attribute for controlling the deformation mechanism and optimizing mechanical properties of austenitic steels, while there are no accurate and straightforward computational…
A considerable fraction of the energy in a solar flare is released as suprathermal electrons; such electrons play a major role in energy deposition in the ambient atmosphere and hence the atmospheric response to flare heating. Historically…
We present a mathematically rigorous method suitable for solving three-body bound state and scattering problems when the inter-particle interaction is of a hard-core nature. The proposed method is a variant of the Boundary Condition Model…
We present a boundary integral formulation of electromagnetic scattering by homogeneous bodies that are characterized by linear constitutive equations in the frequency domain. By working with the Cartesian components of the electric, E and…
We generate theoretical albedo and reflection spectra for a full range of extrasolar giant planet (EGP) models, from Jovian to 51-Pegasi class objects. Our albedo modeling utilizes the latest atomic and molecular cross sections, a Mie…
The significance of wettability between solid and liquid substances in different fields encourages scientists to develop accurate models to estimate the resultant apparent contact angles. Surface free energy (SFE), which is principally…
We suggest the procedure of direct derivation of the symmetry energy from the shift of neutron-proton chemical potentials \Delta\lambda=\lambda_{n}- \lambda_{p} for nuclei beyond the beta-stability line. We observe the presence of anomalous…
A clear connection can be established between properties of nuclear matter and finite-nuclei observables, such as the correlation between the slope of the symmetry energy and dipole polarizability, or between compressibility and the…
The structure and dynamics of a molecular system is governed by its potential energy surface (PES), representing the total energy as a function of the nuclear coordinates. Obtaining accurate potential energy surfaces is limited by the…
In the light of recent measurements of the C 1s core level dispersion in graphene [Nat. Phys. 6, 345 (2010)], we explore the interplay between the elastic scattering of photoelectrons and the surface core level shifts with regard to the…
Surface scattering effects in thin films of the superfluid 3He B phase have been theoretically investigated, with an emphasis on the stability of the stripe order with spontaneous broken translational symmetry in the film plane and…
We present a new formulation of the equations of motion used in smoothed particle hydrodynamics (SPH). The spatial resolution in SPH is determined by the smoothing length, $h$, and it has become common practice for each particle to be given…