Kui Du — Page 2 | Searcharxiv

arXiv2015

Two spectral methods for 2D quasi-periodic scattering problems

We consider the 2D quasi-periodic scattering problem in optics, which has been modelled by a boundary value problem governed by Helmholtz equation with transparent boundary conditions. A spectral collocation method and a tensor product spectral method are proposed to numerically solve the problem on rectangles. The discretization parameters can be adaptively chosen so that the numerical solution approximates the exact solution to a high accuracy. Our methods also apply to solve general partial differential equations in two space dimensions, one of which is periodic. Numerical examples are presented to illustrate the accuracy and efficiency of our methods.

math.NA↗

arXiv2013

Interstitial-Boron Solution Strengthened WB$_{3+x}$

By means of variable-composition evolutionary algorithm coupled with density functional theory and in combination with aberration-corrected high-resolution transmission electron microscopy experiments, we have studied and characterized the composition, structure and hardness properties of WB$_{3+x}$ ($x$ $<$ 0.5). We provide robust evidence for the occurrence of stoichiometric WB$_3$ and non-stoichiometric WB$_{3+x}$ both crystallizing in the metastable $hP$16 ($P6_3/mmc$) structure. No signs for the formation of the highly debated WB$_4$ (both $hP$20 and $hP$10) phases were found. Our results rationalize the seemingly contradictory high-pressure experimental findings and suggest that the interstitial boron atom is located in the tungsten layer and vertically interconnect with four boron atoms, thus forming a typical three-center boron net with the upper and lower boron layers in a three-dimensional covalent network, which thereby strengthen the hardness.

cond-mat.mtrl-sci↗