Stability of O3 + N2, O3 + O2 and O3 + CO2 double hydrates: DFT study

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室温铁磁性Sr3YCo4O10.5+δ多晶有序化的烧结工艺及电磁性能

采用固相反应法制备了不同烧结温度(950~1 180 ℃)、烧结时间、烧结次数共7种工艺的Sr₃YCo₄O_10.5+δ多晶块材,通过热分析、XRD、SEM确定了有序化相变和最佳烧结工艺(1 180 ℃/24 h+1 180 ℃/24 h),并研究了多晶的电磁性能。结果表明,964 ℃完全晶化的四方相Sr₃YCo₄O_10.5在1 042 ℃吸氧(δ)完成有序化,生成Sr₃YCo₄O_10.5+δ,而1 100 ℃和1 180 ℃烧结的样品均出现(103)、(215)超结构峰,验证了其结构的有序性。块材均呈半导体电输运行为,二次烧结晶格完整性提高,晶粒长大,300 K时电阻率仅为0.06 Ω·cm,居里温度(T_c)~335 K,零场冷曲线(ZFC)上的Hopkinson峰源于低温时被冻结的磁矩随温度升高转向磁场方向,磁化强度在298 K达到最大,随后受热扰动的影响减小。室温铁磁性源于有序结构导致的中自旋或高自旋态Co³⁺的e_g轨道有序。     

Structural and magnetic properties of Ni/Pt multilayers

In this work, the variation of the magnetic moments of the Ni/Pt multilayers are studied using the linearized augmented plane waves (LAPW) method in the framework of the density functional theory (DFT) implemented in the version of WIEN2K program. The systems have been modeled by seven layers slab separated in z direction by a vacuum region of four substrate layers. We present the results of the dependence of the magnetic properties with respect to the thickness variation of the different multilayers. The modeling of these systems finds an important empirical support. Experiment and theory show the same trends for the magnetic moments: hybridization effects between Ni and Pt are mostly localized at the interface.     

Catalytic synthesis of single-crystalline gallium nitride nanobelts

Single-crystalline gallium nitride nanobelts have been synthesized through the reaction of gallium vapor with flowing ammonia using nickel as a catalyst. The as-synthesized products were characterized using X-ray powder diffraction (XRD), scanning electron microscopy, energy-dispersive X-ray spectroscopy, transmission electron microscopy, and selected-area electron diffraction (SAED). XRD and SAED results revealed that the products are pure, single-crystalline GaN with hexagonal structure. The widths and thickness of the nanobelts ranged from 80 to 200 nm, and 10 to 30 nm, respectively. The lengths were up to several tens of micrometers. The nanobelts had smooth surface with no amorphous sheath, and a sharp-tip end. The growth mechanism of nanobelts was discussed.     

On the Local Uniqueness of Solutions of Variational Inequalities Under H-Differentiability

In this paper, we give some sufficient conditions for the local uniqueness of solutions to nonsmooth variational inequalities where the underlying functions are H-differentiable and the underlying set is a closed convex set/polyhedral set/box/polyhedral cone. We show how the solution of a linearized variational inequality is related to the solution of the variational inequality. These results extend/unify various similar results proved for C ¹ and locally Lipschitzian variational inequality problems. When specialized to the nonlinear complementarity problem, our results extend/unify those of C ² and C ¹ nonlinear complementarity problems.     

一阶最优性条件研究

本对由Botsko的关于多变量函数取极值的一阶导数检验条件定理^[1]进行了分析研究，给出了更实用而简捷的差别条件。最后，举出若干例子予以说明。     

静脉滴注的临床决策

提出了静脉滴注的动力学一般模型，讨论了模型的性质，在给药剂量确定的条件下，探讨了调整滴注速率使治疗效果达到最佳的临床决策方法。     

Inner derivations and norm equality

We characterize when the norm of the sum of two bounded operators on a Hilbert space is equal to the sum of their norms.