Spherical signals exist in many applications, e.g., planetary data, LiDAR scans and digitalization of 3D objects, calling for models that can process spherical data effectively. It does not perform well when simply projecting into the 2D plane then using planar convolution neural networks (CNNs), because distortion from projection ineffective translation equivariance. Actually, good principles ...

The stable structures of pristine spinel MgCo2–zNi0.5MnAlzO4 (z = 0, 0.3) are elucidated by first-principles calculations. Electron-density and projected density states (PDOS) calculations performed for the z 0 0.3 compounds. calculated corresponding to well fitted pair distribution function (PDF) analysis with G(r) obtained synchrotron X-ray total scattering measurements. PDF reveals that agre...

Either metal/metal or metal/non-metal co-doping is one of the most effective methods to modulate visible emission ZnO. In this paper, ZnO, aluminum-doped ZnO (Al-ZnO), aluminum and silver co-doped (Al/Ag-ZnO), nitrogen (Al/N-ZnO) are deposited. Combining substitution zinc ions using Al and/or Ag doping oxygen N expected introduce more interstitial vacancy defects related light in films. The res...

We report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two Au (100) electrodes. We show that the current was increased by increasing of the external voltage biases. The projected density of states (PDOS) and transmission coefficients (T(E)) under various external voltage biases are analyzed, and it suggests t...

The effect of impurities on quantum chemical parameters of single-walled nanotubes (SWNTs) was studied using density functional theory (DFT). The density of states (DOS), Fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. It was found that this nanotube remains metallic after being doped with one nitrogen atom. The partial den...

Objective(s): First-principles calculations have been carried out to investigate the interaction of aspirin molecule with nitrogen-doped TiO2 anatase nanoparticles using the density functional theory method in order to fully exploit the biosensing capabilities of TiO2 particles. Methods: For this purpose, we have mainly studied the a...

CeO₂ is a promising catalytic oxidation material for flue gas mercury removal. Density functional theory (DFT) calculations and periodic slab models are employed to investigate mercury adsorption and oxidation by oxygen over the CeO₂ (111) surface. DFT calculations indicate that Hg⁰ is physically adsorbed on the CeO₂ (111) surface and the Hg atom interacts strongly with the surface Ce atom acco...

Sensor networks are vulnerable to false data injection attack and path-based DoS (PDoS) attack. While conventional authentication schemes are insufficient for solving these security conflicts, an en-route filtering scheme acts as a defense against these two attacks. To construct an efficient en-route filtering scheme, this paper first presents a Constrained Function based message Authentication...