Effects of molecular weight and small amounts of d-lactide units on hydrolytic degradation of poly(l-lactic acid)s

Films of poly(l-lactic acid) (PLLA) with different number-average molecular weights (M_n) and d-lactide unit contents (X_d) were made amorphous and the effects of molecular weight and small amounts of d-lactide units on the hydrolytic degradation behavior in phosphate-buffered solution at 37 °C of PLLA were investigated. The degraded films were investigated using gravimetry, gel permeation chromatography, polarimetry, differential scanning calorimetry, X-ray diffractometry, and tensile testing. To exclude the effects of crystallinity on the hydrolytic degradation, the films were made amorphous by melt-quenching. The incorporation of small amounts of d-lactide units drastically enhanced the hydrolytic degradation of PLLA. In the period of 0-32 weeks, the hydrolytic degradation rate constant (k) of PLLA films increased with increasing X_d, while the k values did not depend on M_n. This means that the effects of X_d on the hydrolytic degradation rate of the films are higher than those of M_n. In contrast, in the period of 32-60 weeks neither X_d nor M_n was a crucial parameter to determine k values, probably because in addition to these parameters the differences in the amount of catalytic oligomers accumulated in films and crystallinity affect the hydrolytic degradation behavior of the films. The initially amorphous PLLA films remained amorphous even after the hydrolytic degradation for 60 weeks.     

Orientation Dependent FT Raman Microspectroscopy on Hemp Fibers

Summary: FT Raman microspectroscopy was used for polarization experiments on strained hemp fibre cells. The cellulosic plant fibers were macerated with alkaline and enzymatic solutions. Those cleaned and refined single fiber cells were subjected to micro tensile tests as well as to polarization measurements under the FT Raman microscope. Mechanical parameters of the fiber cells (e.g. E-modulus) were determined and changes in orientation of the  (C O C) structure units of the cellulose were considered with respect to fiber stress and molecular fiber structures. Intensity ratios R₁ and R₂ calculated on the polarized micro FT Raman spectra of the strained fibers describe the order parameter 〈P₂〉 and 〈P₄〉 allowing the quantitative determination of the orientation of the structure units  (C O C) of fiber cellulose with respect to the fiber cell axis.     

Efficient and portable acceleration of quantum chemical many-body methods in mixed floating point precision using OpenACC compiler directives

ABSTRACT

It is demonstrated how the non-proprietary OpenACC standard of compiler directives may be used to compactly and efficiently accelerate the rate-determining steps of two of the most routinely applied many-body methods of electronic structure theory, namely the second-order Møller-Plesset (MP2) model in its resolution-of-the-identity approximated form and the (T) triples correction to the coupled cluster singles and doubles model (CCSD(T)). By means of compute directives as well as the use of optimised device math libraries, the operations involved in the energy kernels have been ported to graphics processing unit (GPU) accelerators, and the associated data transfers correspondingly optimised to such a degree that the final implementations (using either double and/or single precision arithmetics) are capable of scaling to as large systems as allowed for by the capacity of the host central processing unit (CPU) main memory. The performance of the hybrid CPU/GPU implementations is assessed through calculations on test systems of alanine amino acid chains using one-electron basis sets of increasing size (ranging from double- to pentuple-ζ quality). For all but the smallest problem sizes of the present study, the optimised accelerated codes (using a single multi-core CPU host node in conjunction with six GPUs) are found to be capable of reducing the total time-to-solution by at least an order of magnitude over optimised, OpenMP-threaded CPU-only reference implementations.     

物理量的量纲和量制

通过对物理量的量制和单位制的介绍,全面地阐述了物理量的概念,并对文献中常出现的一些有关物理量方面的问题进行了分析和讨论.     

A new hybrid material constructed from octamolybdate anion and neutral dinuclear copper units

A new organic–inorganic hybrid material constructed from octamolybdate anion and neutral dinuclear copper(I) units, H₄{[Cu₂(ophen)₂]₂[Mo₈O₂₆]}[Cu₂(ophen)₂] · H₂O (1) (Hophen =2-hydroxy-1,10-phenanthroline), has been prepared under hydrothermal condition and characterized by elemental analysis, IR, XPS, TGA and single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system, space group P 1, with a = 9.9091(8), b = 13.3981(8), c = 14.8266(10) Å, α = 84.6310(10), β = 83.0620(10)°, γ = 77.7800(10), V = 1905.0(2) ų, Z = 1. Compound 1 contains a centrosymmetric polyoxoanion {[Cu₂(ophen)₂]₂[Mo₈O₂₆]}^4?, in which the β-[Mo₈O₂₆]^4? is bisupported by two copper(I) coordination groups through the terminal oxygen atoms. The discrete molecules of 1 are extended into a 3-D supramolecular array through C–H ··· O hydrogen bonds and strong aromatic π–π stacking contacts.     

电磁作用激发的水电机组转子轴系振动研究

水轮发电机组的振动问题是长期困扰广大科研工作者的一个难题,也一直是学术界研究的热点.本文针对某大型水轮发电机转子轴系,首先建立了轴系扭振的微分方程组,给出了轴系整体扭振零频的计算公式,并计算了零频数值.接着在考虑了转子静偏心、振动偏心和转动偏心的综合影响后,求得了气隙磁场能量和单边电磁拉力的表达式,并应用机电耦联系统的能量法,求得了系统由电磁力激发的组合强迫共振响应的一次近似解.最后并应用奇异性理论对分岔方程进行了分析,求得了分岔集、滞后集、双极限集和转迁集的参数区间,给出了普适开折平面和物理参数平面上的分岔图,求得了机组稳定运行区域的电磁参数.本文所得结论对水电机组的工程设计人员具有重要的指导意义.     

A Characterisation of a Class of Semigroups with Locally Commuting Idempotents

McAlister proved that a necessary and sufficient condition for a regular semigroup S to be locally inverse is that it can be embedded as a quasi-ideal in a semigroup T which satisfies the following two conditions: (1) T = TeT, for some idempotent e; and (2) eTe is inverse. We generalise this result to the class of semigroups with local units in which all local submonoids have commuting idempotents.     

一种带有陷波单元的高温超导滤波器设计

提出了一种带有陷波单元的新型高温超导滤波器设计结构,在输入、输出馈线附近设置陷波单元对特定频率产生陷波作用,在滤波器的传输特性上成传输零点,提高了滤波器设计的灵活性,基于这种新型结构设计了高边缘陡峭度滤波器和邻频双通带滤波器.     

An upper bound on the covering radius of the logarithmic lattice for cyclotomic number fields

Recently, in coding theory and cryptography, it has been important the diversified use of lattices. One use of them is to cover a space. Each lattice has a covering radius, a number corresponding to the radius of a ball whose translations by all the points of the lattice cover efficiently the space generated by a basis of it. A way to obtain lattices algebraically is from subgroups of the multiplicative group of units of a number field via the logarithm embedding. This includes the logarithm lattice. In this work, it is presented an upper bound on the covering radius of the logarithm lattice obtained from the units of general cyclotomic number fields via the logarithm embedding, which generalizes an upper bound present in a previous work for cyclotomic number fields of prime-power indices.     

Preparation and Characterization of Para-Aramid Fibers with the Main Chain Containing Heterocyclic Units

Abstract

A para-aramid fiber whose main chain contained heterocyclic units was prepared by low temperature copolycondensation, wet-spinning, and high temperature thermal treatment. The prepared fibers (named F-368) and two commercial aramid fibers, K49 (Kevlar 49, Dupont de Nemours Co., USA) and APMOC (Kamenskvolokno and Tver’khimvolokno, Russia), were characterized and analyzed in detail. Infrared spectroscopy (IR) and wide-angle X-ray diffraction (WAXD) were employed to characterize their chemical and aggregation structures, respectively. The results showed the introduction of heterocyclic units into the wholly para-aromatic polyamide backbone of K49 in the F-368 and APMOC reduced the crystallinity significantly. The tenacity of F-368 and APMOC were 32.2 and 30.5cN/dtex, which were about 68% and 59% higher than that of K49, respectively. Thermogravimetric analysis (TGA) and dynamic mechanical analysis (DMA) were used to investigate their thermal properties; the results indicated that these aramid fibers showed exceptional thermal properties with glass transition temperatures of 240–260?°C, and decomposition temperatures at 510–560?°C, both in nitrogen and air. The TGA results also showed the decomposition mechanism of K49 and the heterocyclic aramid fibers in nitrogen and air were different. The decomposition temperature of K49 was higher than that of the heterocyclic copolyaramid fibers both in nitrogen and air. On the contrary, the char yields of the heterocyclic copolyaramid fibers at 800?°C were higher than that of K49 in both nitrogen and air.