Calculate the radius of silver atom in given that Ag has an FCC crystal structure, a density of 10.5 gcm^3, and an atomic weight of 107.87 (a) Derive linear density expressions for BCC [110] and [111] directions in terms of the atomic radius R. (b) Compute and compare ...
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...
This has been used to quantify the size and structure of the defect cores in liquid crystals37. Motivated by this, we seek to generalize Eq. (2) in a way that will avoid singularities in the resulting charge density. Since the equilibrium value Ψ0 of ∣Ψ∣ is constant, the order ...
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...
In SAMs of molecules containing long alkyl chains, interactions between the head group and the substrate, as well as van der Waals interactions between adjacent adsorbed molecules, play a fundamental role in determining attachment, orientation and packing density of the final structure [1]. Influence...
At the coarse scale, we assessed bison response to LF density. Because LF density was measured within a 500 m radius around each observed and random location (see Statistical analyses section later), we subsampled the GPS- collar data at an interval of once every 24 h for each bison to ...
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 peaks of experimental XRD patterns. Additionally, theoretical lattice types were studied using ...
The structure of the electromagnetic field in plasma is determined by the correlation of the internal plasma parameters (electron density, plasma frequency, etc.) and the external source parameters (waveguide structure, size of source, frequency, etc.). The energy absorption efficiency of MPS is ...
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; ...