稀土元素对Al－3Li合金单向凝固组织的影响

研究了稀土在单向凝固条件下对Ａｌ－３Ｌｉ合金组织的影响，并分析了稀土对微观组织的影响机理。结果表明，稀土对合金的微观纵向枝晶间距有明显影响，这种影响同稀土元素、稀土含量及冷却速度有关。少量稀土增大了合金凝固过程中的成分过冷作用，从而较显著地影响合金的微观组织。     

稀土元素对Al—3Li合金单向凝固组织的影响

研究了稀土在单向凝固条件下对Ａｌ－３Ｌｉ合金组织的影响，并分析了稀土对微观组织的影响机理。结果表明，稀土对合金的微观纵向枝晶间距有明显影响。这种影响同稀土元素、稀土含量及冷却速度有关。少量稀土增大了合金凝固过程中的成分过冷作用，从而较显著地影响合金的微观组织。     

稀土对压铸锌合金金相组织及力学性能的影响

通过对压铸锌合金进行变质处理，研究稀土合金对压铸锌合金微观组织及性能的影响。结果表明，在压铸锌合金中加入适量的稀土，能有效地阻止α树枝状晶的长大，优化组织结构，细化晶粒，清除晶粒边界杂质，使压铸锌合金的抗拉强度和硬度提高１０％以上。同时对稀土合金元素所起的作用进行了分析讨论，为进一步改善压铸锌合金的力学性能和抗晶间腐蚀提供了一条有效途径。     

稀土对Al—Mg—Si合金晶体结构参数的影响

在研究和探索稀土对铝合金作用机理的过程中,稀土的良好作用已为越来越多的研究所证实。目前,有关稀土对铝合金宏观组织和性能影响的研究报道较多,但有关稀土对铝合金晶体结构参数的影响报道很少。本文研究了稀土对Al-Mg-Si合金晶体结构参数的影响,可以说,稀土能够提高铝合金的机械性能,在宏观组织上表现为晶粒细化,在微观结构上表现为晶胞参数变小。     

铝锂合金中铈与杂质含量对延伸率及再结晶的作用

研究了铈及有害杂质含量对２０９０及８０９０铝锂合金薄板延伸率和再结晶状态的影响，得出了再结晶组织参数与板材横向延伸率之间的关系。Ｃｅ的微合金化作用在含一定量Ｆｅ、Ｓｉ杂质的２０９０合金和含一定量Ｎａ、Ｋ杂质的８０９０合金中表现得比较明显，当各种杂质共存且含量较高时，Ｃｅ对８０９０合金的延伸率仍有一定的有利作用。随Ｃｅ及杂质含量变化，若两类合金的再结晶体积、粗晶体积及晶粒平均宽度增加，则其延伸率下降，随晶粒长宽比增加，２０９０合金的延伸率增加而８０９０合金的延伸率下降。     

单一稀土Ce, La和混合稀土在工业纯铝中的作用

通过对比实验的方法，研究了稀土Ce，La和混合稀土对工业纯铝组织、电性能和机械性能的影响。结果表明：单一稀土La，Ce可降低工业纯铝的电阻率，提高工业纯铝的导电性，其中La的效果优于Ce．而混合稀土对电阻率几乎无影响；La，Ce和混合稀土均能减小工业纯铝的晶粒度，在其加入量为0．1％后细化效果明显，当其含量大于0．5％后细化效果趋于平缓，其中Ce的效果最佳，La次之，混合稀土最弱；单一稀土La，Ce在一定含量时可提高工业纯铝的σb6和δ，Ce的作用强于La，混合稀土对σb和δ的影响不明显。     

稀土对AM50力学性能及高温蠕变的影响

对Y和富La稀土对镁合金AM50微观组织、铸态力学性能和蠕变性能的影响进行了研究.研究结果表明: AM50中加入Y和富La稀土能有效地细化晶粒,由于显微组织的改善,使得AM50合金的室温和高温力学性能均有一定的提高,并明显地改善了AM50镁合金的抗蠕变性能.填加稀土可以在AM50合金晶界处生成稳定的铝稀土化合物,可以明显提高镁合金AM50的常温及高温(150 ℃)力学性能.与加入富La稀土的AM50相比,加入Y提高力学性能及蠕变抗力的作用更明显.     

富铈混合稀土对AZ81合金组织与性能的影响

研究了富铈混合稀土对挤压铸造AZ81合金的显微组织和力学性能的影响。结果表明:加入不同含量富铈混合稀土的合金中都出现了一种新相Al11(Ce,La)3相,Al11(Ce,La)3相数量增多而Mg17Al12相则减少,能细化合金的组织晶粒,其细化作用在添加了1.5%富铈混合稀土的镁合金中尤为明显,但是当富铈混合稀土加入量大于2.0%时,合金中Al11(Ce,La)3相开始长大以粗大长杆状存在;在富铈混合稀土含量为1.5%时,AZ81合金的室温和150℃的综合力学性能达到最佳效果,超过2.0%时合金的室温和150℃综合力学性能开始下降;合金试样的拉伸断口带有局部韧窝的解理断裂和韧性断裂的混合特征。     

铈对铝锂合金板材屈服强度各向异性的作用及其理论预测

对比研究2090和2090 Ce铝锂合金板材沿轧向、横向和45°方向屈服强度的变化, 采用ODF测试分析了两合金板材形变织构的差异. 结果表明, 稀土Ce有增强Brass和S轧制织构分量, 降低Cube和Goss再结晶分量的作用, 使得含Ce板材屈服强度的各向异性程度高于2090合金板材; 本工作在采用Taylor/Bishop-Hill模型对两合金板材不同取向屈服强度预测的基础上, 利用Hall-Petch关系式对晶界的强化作用进行了估算, 通过与拉伸实验结果的拟合引入晶粒取向因子和T1相取向因子的概念, 提出了一个修订的"塑性内含物模型(PIM)".     

稀土对压铸锌合金相组织及力学性能的影响

通过对压铸锌合金进行变质处理，研究稀土合金对压铸锌合同观组织及性能的影响，结果表明，在压铸锌合金中加入适量的稀土 ，能有效地防止α树枝状晶的长大，优化组织结构，细化晶粒，清除晶粒边界杂质，使压铸锌合金的抗拉强度和工提高１０％以上，同时对稀土合金元素所起的作用进行了分析，为进一步改善压铸锌合金的力学性能和抗晶间腐蚀提供了一条有效途径。     

The application of molecular modelling to the interpretation of inverse gas chromatography data

The use of molecular modelling in the interpretation of inverse gas chromatography data is discussed. Crystal faces can be visualised and likely cleavage planes calculated using the surface attachment energies. Assuming that the preferred cleavage plane is the crystal face with the smallest attachment energy then the predominant crystal faces of a crystalline particle can be predicted. Surface adsorption can be modelled using Van der Waals and electrostatic interactions to evaluate the interaction energies between individual atoms of the probe molecule and atoms of the test molecule orientated as in the surface. Using examples of pharmaceutical materials, modelling has been shown to be successful in the understanding of changes in the surface energetics.     

NMR and X-ray structural characterization of a cisplatin analogue able to slow down the Pt-N7 rotation of a coordinated guanine base by a billion-fold times: 2,2'-bipiperidine(dimethylmalonato)platinum(II) complex

The synthesis and the NMR and X-ray structural characterization of a cisplatin analogue designed to reduce the Pt-N7 rotation of a coordinated guanine base by a billion times are reported. The [Pt(dmm){(+/-)-bip}] (dmm=dimethylmalonato; bip=2,2'-bipiperidine) complex crystallizes in the C2/m space group, which contemplates a mirror plane bisecting the bip and dmm ligands. Because the bip moiety (R, R or S, S configuration at the 2,2'-carbon atoms) does not have planes of symmetry, the requirements of the crystal symmetry are satisfied by a statistical disorder made of bip molecules of R, R or S, S configurations alternating at the same crystallographic site. Such an unexpected arrangement has been permitted by a "quasi planarity" of the bip ligand [maximum deviation from the mean plane through the C and N atoms of 0.2927(9) A], which allows bip molecules of different chiralities to fit in the same space. The bip array of heavy atoms is overlaid, from both sides, by a layer of "quasi axial" (C)H and (N)H atoms (six per side). Those on one side are hydrogen-bonded to the dmm oxygen atoms of another complex molecule joined in a pair. The distance between the average platinum coordination planes is as short as 3.498(1) A, comparable to those found in crystals of the [PtCl 2(bipy)] complex (bipy=2,2'-bipyridine) and of graphite, in which, however, all atoms of each unit are rigorously coplanar and there are no out-of-plane hydrogen atoms. The NMR data show a net chemical shift separation between geminal methylene protons, with the "quasi axial" protons being always at higher field with respect to the "quasi equatorial" ones. This is in accordance with a rigid bip ligand frame and the inability of the bip methylene protons adjacent to the coordinated nitrogen to rotate away from a cis-G base (G=guanine) during G rotation around the Pt-N7 bond.     

Determination of anisotropic surface characteristics of different phyllosilicates by direct force measurements

To fundamentally understand the electrokinetic behavior of clay minerals, it is necessary to study the anisotropic surface charge properties of clay surfaces. In this study, two 2:1 layer natural minerals, talc and muscovite, were chosen as representatives of magnesium and aluminum phyllosilicate minerals, respectively. The molecularly smooth basal planes of both platy minerals were obtained by cleavage along the basal planes, while suitable edge surfaces were prepared by an ultramicrotome cutting technique. Silicon nitride atomic force microscopy tip was used as a probe to study the interaction forces between the tip and clay basal/edge surfaces in aqueous solutions of various pH values. The measured interaction force profiles between the tip and clay basal/edge surfaces were fitted with the classical DLVO (Derjaguin-Landau-Verwey-Overbeek) theory, which allows direct determination of electrical surface potential of talc and muscovite surfaces. The surface potential of muscovite basal planes was found to be significantly more negative than the basal plane of talc, both being pH insensitive. In contrast, the surface potential of edge surfaces was highly pH-dependent, exhibiting a point of zero charge (PZC) at pH 7.5 and 8.1 for edges of muscovite and talc, respectively. The observed differences in surface potential of basal planes and edge surfaces for both talc and muscovite are closely related to their crystal structure and ionization characteristics. The protonation reactivity and the contribution of each surface group to the surface charging behavior are modeled using their protonation constants.     

Intracrystalline Transport Resistances in Nanoporous Zeolite X

By applying pulsed‐field gradient nuclear magnetic resonance (PFG NMR) in comparison to quasi‐elastic neutron scattering (QENS), we sense by measurement of the diffusion of n‐octane on different length scales, transport resistances in faujasite type X (which is isostructural with type Y and differs by the lower Si/Al ratio only) with mutual distances of less than 300 nm. Direct observation of the real structure of zeolite X by transmission electron microscopy identifies them as stacking faults of mirror‐twin type on (111)‐type planes of the cubic framework. Thus, direct experimental proof is given that, in general, nanoporous host systems such as zeolite crystals cannot be considered as a mere arrangement of cavities. It is rather the presence of structural defects that dominates their properties as soon as transport phenomena with practical relevance, including chemical conversion by heterogeneous catalysis and chemical separation by molecular sieving and selective adsorption, become relevant.     

磁场对316L不锈钢微生物腐蚀行为的影响

采用循环极化、微生物分析法、扫描电镜及表面能谱分析等方法,研究了磁场对316L不锈钢在含硫酸盐还原菌(SRB)的土壤模拟溶液中的腐蚀行为。结果表明,磁场可以抑制SRB的生长;未外加磁场时316L不锈钢表面膜层以局部堆积为主,加有磁场时,局部堆积明显减小,膜层均匀致密的排列于基体表面;无论有或没有外加磁场,316L不锈钢表面均发生钝化膜破裂型点蚀,未外加磁场时的点蚀电位低于加有磁场时的。在相同的浸泡时间,未外加磁场时循环极化滞后环面积明显比加有磁场时的大,说明磁场可以有效抑制316L不锈钢点蚀的形成与发展,降低316L不锈钢的点蚀诱发能力。     

Facet‐Dependent On‐Surface Reactions in the Growth of CdSe Nanoplatelets

Facet‐dependent on‐surface reactions are systematically studied on zinc‐blende CdSe nanoplatelets with atomically‐flat {001} basal facets and small yet non‐polar side facets. The on‐surface half‐reactions between the surface Se sites and Cd carboxylates in the solution are qualitatively equivalent to those on the spheroidal counterparts. Conversely, the on‐surface half‐reactions between the surface Cd sites and the activated Se precursors in solution show a strong facet‐dependence, which includes three distinguishable stages. In the first stage, the Se precursors adsorb onto the small and non‐polar side facets of the nanoplatelets. The second stage is initiated by the adsorbed Se precursors at the side‐basal plane edges and proceeds from the edges to the center of the basal planes in quasi‐zeroth‐order kinetics. In the third stage, the nanoplatelets are dismantled, which includes the creation of a hole in the middle and a build‐up of thick edges.     

Onset of Chiral Adenine Surface Growth

The structure and stability of adenine crystals and thin layers has been studied by using scanning tunneling microscopy, X‐ray diffraction, and density functional theory calculations. We have found that adenine crystals can be grown in two phases that are energetically quasi‐degenerate, the structure of which can be described as a pile‐up of 2D adenine planes. In each plane, the structure can be described as an aggregation of adenine dimers. Under certain conditions, kinetic effects can favor the growth of the less stable phase. These results have been used to understand the growth of adenine thin films on gold under ultra‐high vacuum conditions. We have found that the grown phase corresponds to the α‐phase, which is composed of stacked prochiral planes. In this way, the adenine nanocrystals exhibit a surface that is enantiopure. These results could open new insight into the applications of adenine in biological, medical, and enantioselective or pharmaceutical fields.     

Phase and orientational behaviors in liquid crystalline main-chain/side-group block copolymers

The phase and orientational behaviors of a series of liquid crystalline (LC) AB-type diblock copolymers comprising thermotropic main-chain (MC) polyester and side-group (SG) polymethacrylate blocks were investigated by X-ray diffraction. The MC and SG blocks were phase separated and gave rise to their individual mesophases that coexisted at equilibrium. The samples were oriented by using either a magnetic field or a mechanical field. In magnetically aligned samples both the MC and SG microphases were oriented with their smectic planes orthogonal to the magnetic field direction, independent of the copolymer composition. Mechanically aligned, fiber samples showed different orientations of the MC and SG smectic planes for different sample compositions. In this case the disposition of the smectic planes of the MC and SG blocks was driven by the relative length of the two blocks. Some features of the X-ray patterns of the copolymers were compared to those of the MC and SG homopolymers. In addition, the MC smectic domains crystallized on annealing without affecting the orientation that had been achieved by applying a magnetic field. © 1998 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 36 : 21–29, 1998     

Nanodrop of an Ising magnetic fluid on a solid surface

The density functional theory of inhomogeneous simple fluids is extended to an Ising magnetic fluid in contact with a solid surface, which is subjected to an external uniform or nonuniform magnetic field. The system is described by two coupled integral equations regarding the magnetic moment and fluid density distributions. The dependence of the contact angle that a nanodrop makes with the solid surface on the parameters involved in the magnetic interactions between the molecules of fluid and between the molecules of fluid and an external magnetic field is calculated. For the uniform magnetic field, the contact angle increases with increasing magnetic field, approaching an asymptotic value that depends on the strength of the fluid-fluid magnetic interactions. In the nonuniform field generated by a permanent magnet, the contact angle first increases with increasing magnetic field B(M) and then decreases, with the decrease being almost linear for large values of B(M). The obtained results are in qualitative agreement with the experimental data on the contact angle of magnetic drops on a solid surface available in the literature.     

Defeating Radiation Damping and Magnetic Field Inhomogeneity with Spatially Encoded Noise

A simple NMR experiment capable of providing well resolved spectra under conditions where either radiation damping or static magnetic field inhomogeneity would broaden otherwise high‐resolution NMR spectra is introduced. The approach involves using a strong pulsed magnetic field gradient and a selective radio‐frequency pulse to encode a predetermined noise pattern into the spatial distribution of magnetization. Following readout in a much smaller field gradient, the noise sequence may be deconvolved from the acquired data and a high‐resolution spectrum is obtained, eliminating the effects of either radiation damping or the static field inhomogeneity. In the presence of field inhomogeneity a field map is also obtained from the same single transient. A quasi‐two‐dimensional version of the experiment eliminates the need for deconvolution and produces improved results with simplified processing, but without requiring a full two‐dimensional experiment. Example spectra are shown for both radiation damping and one‐dimensional field inhomogeneity with improvement in linewidths of more than a factor of 40.