Profile Functions in Diffraction Patterns of Semicrystalline Fibers with Gaussian Misalignment

Abstract

The profile functions expected in diffraction patterns of axially oriented semicrystalline fibers are discussed. Attention is focused on a Gaussian distribution of the crystallite unique axes. The limits of applicability of known approximations to the computationally demanding theoretical profile function have been found and a simple correction has been proposed enabling the computation of the profile functions near the meridian and on the meridian itself. Test calculations show that this correction leads to better agreement with the theoretical profile functions

%VBur index and steric maps: from predictive catalysis to machine learning

“…109 As a result, the solid angle did not gain significant traction in describing steric properties of phosphanes and related ligands. 110…”

“…109 As a result, the solid angle did not gain significant traction in describing steric properties of phosphanes and related ligands. 110 General steric descriptors, link the successful CA for phosphines with the %V Bur of Nolan, Cavallo and coworkers. Actually, those indices are more general than the CA.…”

Optical properties of plasma‐treated PEEK: Monitoring colour and crystallinity for applications in medicine and dentistry using ellipsometry

“…[ 17 ] The theoretical DOS has been calculated previously by Ho et al, [ 12 ] for a hybrid functional developed by Heyd–Scuseria–Ernzerhof (HSE) on an optimised PEEK structure, validated on polyethylene. The theoretical DOS calculated by Ho et al [ 12 ] was based on a unit cell containing two repeating units of PEEK and follows the model developed by Iannelli, [ 18 ] as shown in Figure 1a.…”