This paper presents an efficient time-integration method for obtaining reliable solutions to the second-order nonlinear dynamic problems in structural engineering. This method employs both the backward-acceleration differentiation formula and the trapezoidal rule, resulting in a self-starting, single step, second-order accurate algorithm. With the ...
In this article I shall describe an easily constructed apparatus for an experiment on winding motion in a spiral-like trajectory in three dimensions. The experimental results show how the total time of the process depends on the initial speed, and the total time has its maximum value of 16.3s for a speed of 2.67m/s. The experimental results were in...
Using first-principles calculations, we systematically study the adsorption behavior of a single molecular H(2)O on the Be(0001) surface. We find that the favored molecular adsorption site is the top site with an adsorption energy of about 0.3 eV, together with the detailed electronic structure analysis, suggesting a weak binding strength of the H(...
Mg-doped InGaN was grown on unintentionally doped GaN layer, and Mg and defect behaviours in both GaN and InGaN : Mg were investigated through photoluminescence measurement at 7K. Mg acceptor was found in unintentionally doped GaN after thermal annealing in N(2) ambient, and Mg activation energy was estimated to be 200 meV and 110 meV for GaN and I...
By modeling beta-Zn(4)Sb(3) material as a Zn(36)Sb(30) crystal with defects, the crystal structure and thermal properties of beta-Zn(4)Sb(3) are studied by ab initio method to explain its extremely low thermal conductivity at moderate temperature. The formation and migration energies of defects are calculated and used to explain the partial occupat...
xiuqing), xq meng (mengliming), lm tang (tangjingbo), (li
Co-doped In2O3 nanocrystals showing room-temperature ferromagnetism have been successfully prepared by a simple sol-gel synthesis route. The sample displays it clear ferromagnetism behavior above 300 K. Phase and structure analyses reveal that the nanocrystals are crystallized with Co ions substituted for In ions in the In2O3 matrix, and no trace o...
hongliang), hl shi (shimingfu), mf chu (chuping), p zhang (zhang
We perform first-principles calculations of electronic structure and optical properties for UO2 and PuO2 based on the density functional theory using the generalized gradient approximation (GGA) + U scheme. The main features in orbital-resolved partial density of states for occupied f and p orbitals, unoccupied d orbitals, and related gaps are well...
