Ditertiary phosphine complexes of (ν-allyl)dicarbonylmolybdenum(II) and -tungsten(II)

Compounds of the type [XM(CO)₂(ν-allyl)L₂] (where X = Cl and Br; M = Mo and W; L₂ = Ph₂PCH₂PPh₂ and Ph₂ PCH₂CH₂PPh₂) have been prepard from the corersponding MeCN complexes. The spectral properties of these compounds and the effects of chelate rign size on ³¹P coordination shifts and J(¹⁸³W—³¹P) have been investigated.     

Dislocation-density-based constitutive modelling of tensile flow and work-hardening behaviour of P92 steel

The flow and work-hardening behaviour of tempered martensitic P92 steel have been investigated using phenomenological constitutive model in the temperature range 300–873 K for the strain rates ranging from 3.16 × 10^?5 to 1.26 × 10^?3 s^?1. The analysis indicated that the hybrid model reduced to Estrin–Mecking (E–M) one-internal-variable model at intermediate and high temperatures. Further, the analysis also indicated that dislocation dense martensite lath/cell boundaries and precipitates together act as effective barriers to dislocation glide in P92 steel. The flow behaviour of the steel was adequately described by the E–M approach for the range of temperatures and strain rates examined. Three distinct temperature regimes have been obtained for the variations in work-hardening parameters with respect to temperature and strain rate. Signatures of dynamic strain ageing in terms of the anomalous variations in work-hardening parameters at intermediate temperatures and the dominance of dynamic recovery at high temperatures have been observed. The evaluation of activation energy suggested that deformation is controlled by the dominance of cross-slip of dislocations at room and intermediate temperatures, and climb of dislocations at high temperatures.     

Enhanced electronic and nonlinear optical responses of C24N24 cavernous nitride fullerene by decoration with first row transition metals; A computational investigation

The electronic (energy gap and work function) as well as electrical properties (dipole moment, polarizability, and first hyperpolarizabilities) of the first-row transition metals decorated C₂₄N₂₄ cavernous nitride fullerene were explored using DFT calculations. The transition metals are decorated at N4 cavity of C₂₄N₂₄ fullerene. According to our spin polarized computations, the most stable spin state monotonically increases to sextet for Mn@C₂₄N₂₄ and thereafter dropped off gradually to singlet state for Zn@C₂₄N₂₄ system. The findings demonstrate that transition metals can remarkably decrease the HOMO-LUMO energy gap and work function values up to 63% and 21% of bare C₂₄N₂₄, respectively. As can be seen, when the Sc and Ti metals are located above the N4 cavity of fullerene, systems of enhanced static hyperpolarizabilities (β₀) are delivered. These findings might provide an effective strategy to design high performance eletcro-optical materials based on carbon- nitride fullerene.     

ESSENTIAL WORK OF FRACTURE AND THE PHASE TRANSFORMATION IN β-iPP

The possibility of phase transformation toughening is demonstrated by the example of the β-modification isotactic polypropylene (β-iPP), which undergoes the β–α transformation (i.e., from hexagonal to monoclinic) during mechanical loading. The β–α recrystallization was examined on essential work of fracture (EWF) specimens with two processing conditions. Differential scanning calorimetry and wide-angle x-ray diffraction demonstrate the occurrence of this β–α transformation. Some structural changes can be identified in EWF specimens by using nano-indentation machine. Toughness of the α- and β-iPP is studied and compared with the EWF concept by using static-loaded deeply double-edge-notched tensile specimens. The main effect of the β–α transformation is a large increase in the specific plastic work consumed in the necked zone.     

铝合金表面电偶腐蚀与电子功函数的关系

铝合金中经常会引入一些第二相来改善其性能,第二相由于和铝基体的电位差不同,将会对铝合金的局部腐蚀产生重大的影响.为了揭示铝合金腐蚀的物理本质,本文利用基于密度泛函理论第一性原理的计算方法,详细计算了铝合金中一些主要第二相(Al_2Cu、Al_3Ti和Al_7Cu_2Fe)的多种晶面的电子功函数,分析了电子从各个晶面逸出的难易,求得了第二相与Al基体的本征电势差,我们发现不同的晶面暴露在合金最外层,会显著地影响本征电势差;即便是同一晶面,暴露在最外层的原子种类和构型不同,对腐蚀的影响也不一样.从电子的层面解释了电偶腐蚀发生的原因.     

Work function and negative electron affinity of ultrathin barium fluoride films

Thin films of barium fluorides with different thicknesses were deposited on GaAs substrate by electron beam evaporation. The aim of the work was to identify the best growth conditions for the production of coatings with a low work function suitable for the anode of hybrid thermionic-photovoltaic (TIPV) devices. The chemical composition and work function φ of the films with different thicknesses were investigated by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). The lowest value of φ = 2.1 eV was obtained for the film with a thickness of ~2 nm. In the valence band spectra of the films at low kinetic energy, near the cutoff, a characteristic peak of negative electron affinity was present. This effect contributed to a further reduction of the film's work function.     

教学评一致性视域下金属单元复习课的实践*

分析金属知识在中考和教材中的地位,针对当前单元复习教学中存在的问题,依据教学评一致性原则,将“金属知识”的单元复习在“订书钉”为主要线索的探究活动中展开,以此激发学生的学习兴趣,优化学生单元知识结构,发展学生分析问题、解决问题的能力,同时提高学生对学科价值的认识。     

化学能转化成电能的实验设计

以常见的铜锌原电池反应为例,设计了一组对比实验装置,即化学反应装置与原电池装置。以化学反应装置中的能量变化为依据,展示了化学反应中释放出的能量具体形式为“热”与“功”;通过与原电池装置的比较,证明原电池实验装置中的“热”转化为了电能。     

Effects of Sucrose Palmitate on the Physico-Chemical and Mucoadhesive Properties of Buccal Films

In our current research, sucrose palmitate (SP) was applied as a possible permeation enhancer for buccal use. This route of administration is a novelty as there is no literature on the use of SP in buccal mucoadhesive films. Films containing SP were prepared at different temperatures, with different concentrations of SP and different lengths of hydroxypropyl methylcellulose (HPMC) chains. The mechanical, structural, and in vitro mucoadhesive properties of films containing SP were investigated. Tensile strength and mucoadhesive force were measured with a device and software developed in our Institute. Positron annihilation lifetime spectroscopy (PALS) and X-ray powder diffractometry (XRPD) were applied for the structure analysis of the films. Mucoadhesive work was calculated in two ways: from the measured contact angle and compared with direct mucoadhesive work, which measured mucoadhesive force, which is direct mucoadhesion work. These results correlate linearly with a correlation coefficient of 0.98. It is also novel because it is a new method for the determination of mucoadhesive work.