Calculate the linear density of ions along the [111] direction in UO2, which crystallizes in the CaF2 structure. __a)__ Calculate linear atomic density in BCC and FCC using the directions (100),(010), and (110) __b)__ Calculate the planar atomic density in BCC and FCC ...
The linear-response approach to density-functional calculations in the local-density approximation is more efficient than traditional supercell and dielectric matrix techniques for the calculation of physical properties such as phonon frequencies. We have implemented this approach within the framework of the...
The EC1 and EC2 domains of all the receptors are each arranged into an identical overall immunoglobulin-fold composed of β-strands labelled as AA′BCC′EFG from the amino-terminus. For the FcγRs and FcεRI, the ligand-binding site is present at the top of the EC2 domain. In FcαRI...
A topological description of dislocations using the HM-framework has been provided in two and three dimensions in refs. 34,36. Here, we adopt an alternative and convenient description using the charge density from Eq. (12), which is a vector field for 3D lattices...
The information density, here taken as the number of force components that are sizable, in supercells with only one or two displaced atoms such as the ones used in the direct approach is relatively low. Instead, one can consider general displacement patterns, involving many (or all) atoms in...
Besides controlling internal order and structure of the monolayer, van der Waals interactions between alkyl chains are also responsible for the arrangement of NPs in different crystalline structures or assemblies (body-centered cubic, bcc, face-centered cubic, fcc, hexagonal close packed, hcp or ...
Within coarse-scale SSFs, we also assessed whether a functional response in LF selection was pres- ent by interacting a LF dummy variable (1, on LF; 0, off LF) with LF density (Moreau et al. 2012). For both scales, we developed population-level inferences by averaging parameter estimates...
The amorphous structure for all the prepared samples was confirmed from the XRD patterns. In addition, density functional theory (DFT), optimized by TD-DFT and Crystal Sleuth, was used to study the structure and crystallinity of the [B-Gly/Dy]HDG as isolated molecules and agreed with the ...
For the purpose of concentrating the plasma density in the deposition area, a novel LMPS which is suitable for curved structure deposition has been developed and compared with the conventional LMPS. As the shape of a circular waveguide, it is filled with relatively high-permittivity dielectric ...
This saliency detection preprocessing approach is realized using spatial pyramid Gaussian kernel density estimation. Experiments show that the proposed method achieved a better performance for remote sensing scene classification tasks. Keywords: saliency preprocessing LLC; saliency detection; image processing; ...