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51.
阐述了紫外无机非线性光学晶体分子工程学探索方法的基本特点,具体分析深紫外无机非线性光学晶体硼铍酸锶(SBBO)以氟硼铍酸钾(KBBF)为主要参考晶体的分子设计方法,随后根据晶体结构研究、单晶培养、和非线性光学性能测定等实验结果讨论SBBO作为新型深紫外无机晶体的主要优点,即它既具有更短的紫外吸收边(接近155nm)和较大的非线性光学系数(d22(SBBO)=06×d22(BBO)=138pm/V),同时晶体无明显层状习性,并肯有良好的化学稳定性和机械性能 相似文献
52.
To improve aircraft crash safety, conditions critical to occupants survival during a crash must be known. In view of the importance of this problem, studies of post-crash dynamic behavior of victims are necessary in order to reduce severe injuries. In this study, crash dynamics program SOM-LA/TA, incorporating a dynamic model of the human body with a finite element model of the seat structure was used. Modifications were performed in the program for reconstruction of an occupant's head impact with the interior walls or bulkhead. A viscoelastic-type contact force model was used to represent the compliance characteristics of the bulkhead. Correlated studies of analytical simulations with impact sled test results were accomplished. A parametric study of the coefficients in the contact force model was then performed in order to obtain the correlations between the coefficients and the Head Injury Criteria. A measure of optimal values for the bulkhead compliance and displacement requirements was thus achieved in order to keep the possibility of a head injury as little as possible. This information could in turn be used in the selection of suitable materials for the bulkhead, instrument panel, or interior walls of an aircraft. 相似文献
53.
Thermal, spectroscopic and electrical properties of lead pyrophosphate glass prepared by melt quenching have been examined.
A model based on the structural disproportionation of the P2O
7
4−
ions has been proposed and is shown to consistently explain all the observations. The equilibrium of various anionic species
has been discussed on the basis of their electronegativities which are in turn related to their basicities.
Communication No. 129 from the Materials Research Centre 相似文献
54.
55.
There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds. 相似文献
56.
Tatiana B. Mikenas Vladimir A. Zakharov Lyudmila G. Echevskaya Mikhail A. Matsko 《Journal of polymer science. Part A, Polymer chemistry》2007,45(22):5057-5066
The effects of polymerization temperature, polymerization time, ethylene and hydrogen concentration, and effect of comonomers (hexene‐1, propylene) on the activity of supported catalyst of composition LFeCl2/MgCl2‐Al(i‐Bu)3 (L = 2,6‐bis[1‐(2,6‐dimethylphenylimino)ethyl] pyridyl) and polymer characteristics (molecular weight (MW), molecular‐weight distribution (MWD), molecular structure) have been studied. Effective activation energy of ethylene polymerization over LFeCl2/MgCl2‐Al(i‐Bu)3 has a value typical of supported Ziegler–Natta catalysts (11.9 kcal/mol). The polymerization reaction is of the first order with respect to monomer at the ethylene concentration >0.2 mol/L. Addition of small amounts of hydrogen (9–17%) significantly increases the activity; however, further increase in hydrogen concentration decreases the activity. The IRS and DSC analysis of PE indicates that catalyst LFeCl2/MgCl2‐Al(i‐Bu)3 has a very low copolymerizing ability toward propylene and hexene‐1. MW and MWD of PE produced over these catalysts depend on the polymerization time, ethylene and hexene‐1 concentration. The activation effect of hydrogen and other kinetic features of ethylene polymerization over supported catalysts based on the Fe (II) complexes are discussed. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5057–5066, 2007 相似文献
57.
The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper,
the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer
Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of
entropy to surface tension of grain boundary can be ignored.
The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of
Sciences. 相似文献
58.
59.
60.
For the NO molecule, modelled as a Morse oscillator, time-dependent (TD) nuclear Schr?dinger equation has been numerically
solved for the multiphoton vibrational dynamics of the molecule under a far-infrared laser of wavelength 10503 nm, and four
different intensities,I = 1 × 108, 1 × 1013, 5 × 1016, and 5 × 1018 W cm−2 respectively. Starting from the vibrational ground state at zero time, various TD quantities such as the norm, dissociation
probability, potential energy curve and dipole moment are examined. Rich high-harmonics generation (HHG) spectra and above-threshold
dissociation (ATD) spectra, due to the multiphoton interaction of vibrational motions with the laser field, and consequent
elevation to the vibrational continuum, have been obtained and analysed.
Dedicated to Professor C N R Rao on his 70th birthday
An erratum to this article is available at . 相似文献