测定金刚石膜断裂强度及断裂韧性的力控制法研究

人造金刚石膜是一种新材料,断裂强度及断裂韧性是其主要力学性能指标,目前国内、外尚无相应的强度测试方法标准,一般采用类比陶瓷测定断裂强度与断裂韧性的方法进行,即采用位移控制法进行检测,基于金刚石膜是一种硬度比陶瓷更高的材料,本文首次提出对金刚石膜用一种力控制法进行检测,在试验时采用专用的弹性压力头加载,加载速度可调,加载平衡、可靠,收到了很好的效果。     

First-principles study on magnetism of different dimensional Ru systems

The magnetism, the magnetocrystalline anisotropy and the optical properties of the monolayer and atomic chain of 4d transition-metal Ru are investigated by using the full-potential linearized-augmented-plane-wave method in a generalized gradient approximation. The magnetic moments are 1.039~μ __B/atom and 1.130~μ_B/atom for the monolayer and atomic chain, respectively. Both systems have large magnetocrystalline anisotropy energy (MAE). The magnetic easy axis is normal to the monolayer and perpendicular to the chain axis in the atomic chain. The optical properties of the two low-dimensional Ru systems are investigated by calculating the complex optical conductivity tensor. Both systems exhibit anisotropy in photoconductivity, especially for the atomic chain. The physical origins of MAE and photoconductivity are studied based on electronic structures. It is found that the changes in crystal field caused by different symmetry-breaking mechanisms in the two low-dimensional Ru systems result in MAE through spin--orbit coupling, while the anisotropy in photoconductivity mainly comes from the crystallographic anisotropy.     

二肽肽酶IV抑制剂的三维定量构效关系研究

二肽肽酶IV是一类用于治疗II型糖尿病具有潜在价值的关键酶, 很多此类酶的抑制剂用于处理此病具有相当好的有效性. 一系列N-取代的甘氨酰氰基吡咯烷衍生物对于二肽肽酶具有高的活性和选择性. 我们使用比较分子力场分析方法建立DPP-IV抑制剂——N-取代的甘氨酰氰基吡咯衍生物的三维定量构效关系, 该模型为设计用于治疗II型糖尿病的高效DPP-IV抑制剂提供结构信息. CoMFA模型的交叉验证相关系数q²＝0.575, 非交叉验证相关系数r²＝0.981, 绝对误差S＝0.184, F_9.68＝388.5. 使用七个预测集检验了模型的预测能力. 所得的模型解释了已有的构效关系, 并对同类化合物有较好的预测能力, 该模型可用于指导新型的DPP-IV抑制剂的设计与优化.     

主动控制用大输出力电磁作动器优化设计

采用将电磁作动器集成至气囊隔振器内部的方式能够很好地实现宽频隔振与线谱控制,但由于气囊内的空间有限,作动器在有限的空间内其体积要尽可能小的同时,还要输出足够大的主动控制力,这对主动控制用大输出力电磁作动器的优化设计提出了更高的要求。建立了电磁作动器的理论模型与漏磁模型;采用ANSYS有限元软件中的优化模块对电磁作动器进行了优化设计,并获得了符合结构尺寸与主动控制输出力要求的作动器;分析了电磁作动器的可控输出力与最大磁饱和密度随电流变化的关系。仿真结果表明,设计的电磁作动器在满足空间尺寸的前提下,通入6A交变电流时其输出的主动控制力能够达到646N,满足设计指标,有助于作动器的研制。     

Fabrication and optical properties of platinum nanowire arrays on anodic aluminium oxide templates

Arrays of Pt nanowires, fabricated by electrodepositing Pt metal into nanoporous anodic aluminium oxide (AAO) templates, exhibit a preferable optical absorption band in the ultraviolet-visible (UV-VIS) spectra and present a blueshift as the wire aspect ratio increases or its radius decreases. This type of optical property of Pt nanowire/porous alumina composites has been theoretically explored using Maxwell－Garnett (MG) effective medium theory. The MG theory, however, is only applicable to nanowires with an infinitesimally small radius relative to the wavelength of an incident light. The nanowire radius is controlled by the pore radius of the host alumina, which depends on anodizing conditions such as the selected electrolyte, anodizing time, temperature and voltage. The nanowire aspect ratios depend on the amount of Pt deposited into the nanopores of AAO films. The optical absorption properties of the arrays of Pt nanowires with diameters of 24, 55 and 90 nm have been investigated by the UV-VIS spectra, which show that the extinction maximum (λ_max) shifts to shorter wavelength side as the wire aspect ratio increases or its radius decreases. The results are qualitatively consistent with those calculated based on the MG theory.     

Periodical interfacial cracks in anisotropic elastoplastic media

By using Fourier transformation the boundary problem of periodical interfacial cracks in anisotropic elastoplastic bimaterial was transformed into a set of dual integral equations and then it was further reduced by means of definite integral transformation into a group of singular equations. Closed form of its solution was obtained and three corresponding problems of isotropic bimaterial, of a single anisotropic material and of a bimaterial of isotropy- anisotropy were treated as the specific cases. The plastic zone length of the crack tip and crack openning displacement ( COD) decline as the smaller yield limit of the two bonded materials rises, and they were also determined by crack length and the space between two neighboring cracks . In addition , COD also relates it with moduli of the materials .     

Three-dimensional analysis on plates

I.IntroductionGenerally,asathree-dimensionaI(3-D)solid-theplateshouldbeanalysedwiththethickplatetheory.Thethickplatetheoryismultifarious:Acust0marythick[heoryoriginatesfromvariousmodificationsofthethinplatetheory,whichisbasedonKirchhoffLovehypothesis'with…     

改变云芝多糖的化学结构提高其抑瘤活性的研究

本文将长白山野生云芝子实体提取的多糖,用选择性氧化和还原及部分水解的方法,切断其β(1-6)糖苷键,明显提高了云芝多糖的抑瘤活性。此外,未脱色的云芝多糖抑瘤活性较脱色者高。     

FNR-Ⅰ核磁共振波谱仪

基于自旋回波的原理研制成功了一台专用于分析磁性材料的核磁共振波谱仪。其工作频率为25-80MHz;输出功率10W,可用它在77-300°k范围测量铁磁材料的共振谱线,增强因数和自旋-自旋弛豫时间T₂;它也可用于测量非磁性固体的宽核磁共振谱线。     

PPAR激动剂的定向设计、虚拟筛选及合成

过氧化物酶体增殖因子活化受体(PPAR)是核受体超家族的一员.基于受体结构的药物分子设计与组合化学策略相结合,构建了过氧化物酶体增殖因子活化受体(PPAR)激动剂的虚拟化合物库.将已知小分子配体(GW409544)与PPAR晶体复合物进行剥离,得到受体的活性构象,并利用此活性受体分子与虚拟库中小分子进行对接和虚拟筛选,得到理论上结合较强的化合物,并对这些化合物进行合成,共合成9个新化合物.活性筛选结果显示化合物对PPAR具有一定的亲和力,其中有三个化合物显示出对PPARα,PPARγ的双重激动作用,从而指导新活性化合物的设计和合成.