流体PVTX性质测试虚拟仪器系统的研制

在对国内外现有流体PVTx性质测量实验系统的分析研究基础上,结合现有温度、压力及计算机自动化测试等技术,研制了有关的温度、压力等测量系统,同时利用Visual C++6.0开发了一套完整的流体PVTx性质测试软件,实现了PVTx性质测量的自动化,基本形成了一套较为完整的流体PVTx性质测试虚拟仪器系统。     

正交qs相干态的非经典性质

构造了正交qs相干态,并研究了它的压缩性质、反聚束效应等非经典性质.数值计算了形变参数q和s对非经典性质的影响.     

碳、氮和氧族元素取代对2,1,3-苯并噻二唑衍生物的电子、光谱、电荷传输性质影响的理论研究

采用量子化学方法设计并研究了一系列CH₂、NH、O和Se取代的2,1,3-苯并噻二唑衍生物的电子性质、光谱性质和电荷传输性质．采用的研究方法是从头算Hartree-Fock和密度泛函方法．研究结果表明,中心芳环的S原子分别被CH₂、NH、O和Se取代后,母体分子的电子性质、光谱性质以及电荷传输性质得到了很好的调节．根据得到的理论研究结果,在2,1,3-苯并噻二唑衍生物基础上进行结构修饰得到的一系列分子可以作为有机发光二极管中的有机发光材料.     

有机双光子吸收材料的研究进展

本文综述了具有优异双光子吸收/双光子荧光性质的有机功能材料的研究工作和成果。近年来,有机材料凭借其出众的性质、丰富的种类、多重功能性以及快速的非线性光学响应引起国际科学和技术界的极大兴趣。文章介绍了测量材料的非线性光学性质和超快响应的实验方法,它们已被广泛应用于有机材料的研究工作,并且取得了重大的进展。本文描述了对偶极、四极、多枝结构、大环结构以及聚合物等有机材料的非线性光学性质和超快光学响应的研究结果。基于有机材料的迷人性质,具有优异非线性光学性质和超快响应的有机材料将会在很多领域显示出巨大的应用潜力。     

La3Ga5SiO14晶体的介电性质、弹性与压电性质

研究了La3Ga5SiO14晶体的介电性质、弹性和压电性质，其中弹性和压电性质是利用高频振动模式通过谐振法测定的. 关键词： 介电性质 弹性 压电性质     

光纤波导色散的比例性质研究

基于麦克斯韦方程组的比例性质,讨论了光纤波导色散的比例性质,并对普通光纤、Bragg光纤和光子晶体光纤的波导色散进行了理论研究。以Bragg光纤为例,提出了一种根据波导色散的比例性质灵活设计光纤色散特性的方法。     

不同势函数状态方程湿空气性质的模拟研究

本文从L-J维里状态方程、L-J径向状态方程,TIP4P维里状态方程以及TIP4P径向状态方程四种模型出发,利用分子动力学模拟技术,进行了湿空气性质的研究.对不同状态方程的模拟结果的稳定性进行了探讨,发现径向状态方程的稳定性要好于维里状态方程,最后采用径向分布方程及TIP4P模型,模拟了湿空气的性质,结果表明湿空气在低温、高压和高含湿量下,其性质不再接近于理想气体的性质.     

超临界区制冷剂热力性质快速计算方法

提出超临界区制冷剂热力性质的隐式拟合模型,给出了超临界区制冷剂热力性质的隐式拟合、显式计算方法.该方法能够保证超临界区热力性质计算的可逆性、高速性和绝对稳定性.以REFPROP 7的计算结果作为数据源,以CO2为例对该模型作了验证.对CO2超临界区热力性质在温度为304.15～393.15 K,压力在7.3773～12.0 MPa的数据范围内作了隐式拟合,给出了各个热力性质对应的显式快速计算公式,其计算速度比REFPROP 7程序的计算速度平均提高了2个数量级,并且平均误差在1.8%以内.     

反转岛附近原子核奇特性质研究进展

反转岛附近原子核奇特性质的研究是当前核物理研究的热点。 首先简要回顾和介绍了反转岛附近原子核奇特性质的实验进展, 然后介绍了对这些奇特核性质的理论研究进展。 主要包括相对论平均场模型、 壳模型、 Hartree Fock模型和宏观 微观模型在该区域的发展和研究结果。 重点介绍了宏观 微观模型在反转岛附近原子核奇特性质研究中的进展。 此外, 还分析和比较了各种理论模型在描述反转岛附近原子核性质上取得的成功和模型之间的差异。     

叠加qs相干态的非经典性质

构造了叠加qs相干态,并研究了它的压缩性质、反聚束效应等非经典性质.数值计算了叠加系数和形变参数q与s对非经典性质的影响.奇偶qs相干态的有关结果作为特例包含在本文的一般结论之中.     

Physical and chemical phenomena occurring between solid ceramics and liquid metals and alloys at laser and plasma composite coatings formation: A review

The review describes the physical and chemical phenomena occurring between solid ceramics used as reinforcement and liquid metals and alloys used as matrix in the composite coatings. Initially, the properties of typical matrix metals as Ni, Co, Fe and alloys as Ni-based (NiCr, NiAl, NiCrAlY,…) and Co-based (Stellites) alloys in liquid state are described. Then, the phenomena related to the diffusion of some atoms such as nitrogen or carbon in liquid metals and alloys solidification are described. Subsequently, the phenomena at the interface between liquid metals and alloys and solid ceramics such as oxides or carbides during the coatings' formation are reviewed. Finally, the methods of composite coatings deposition using laser cladding and plasma transferred arc are described and the properties of the composite coatings related to their microstructure are discussed by taking into account the phenomena in melt-pool.     

Read and write processes, and head technology for perpendicular recording

In this paper, we present a review of the write and read processes in perpendicular magnetic recording. We also discuss their impact, based on recording physics aspects, on design considerations for writers and readers. For the write process, we discuss fundamental write-ability limitations as well as possible paths to ultra-high areal density perpendicular recording. The impacts of different medium designs, geometrical scaling, and the breakdown of scaling, both in terms of write-ability and transition curvature, are shown based on different modeling techniques, including analytical formulas, finite element modeling (FEM), and micromagnetic simulations. Basic design rules as well as alternative designs that enable high areal density are briefly explained. For the read-back process, the relation between reader signal to noise ratio (SNR) and resistance, as well as reader resistance shunt and spacing loss, are discussed. Finally, we use a simple example to illustrate, both from a write as well as a read-back perspective, the complicated nature of perpendicular recording systems, and how different medium designs impact recording head technology for ultra high density perpendicular recording.     

Electron relaxation and transport in nanostructured and bulk silica

Processes of ballistic and hot electron relaxation in extended bulk as well as nanostructured silica have been analyzed by means of a phonon-based scattering model and respective Monte-Carlo computer simulation. Optical as well as acoustic phonons are taken into account. Trajectories of electrons and their energy attenuation in nanostructured silica are additionally affected by scattering processes at the grain boundaries between the nanoparticles, i.e. by surface phonon as well as potential scattering. Moreover, a flatter conduction band and a higher effective electron mass have been taken into account too. According to these calculations, electrons with an initial energy of several eV, but still below the valence band ionization threshold, were thermalized in 50–300 fs increasing with the silica grain size from 1 nm up to bulk material. The electron emission probabilities over the surface barrier into vacuum are extended up to depths of 60–100 nm, respectively, increasing with enhancement by an electric field.     

Hot and cold,nuclear and neutron matter

We report variational calculations of the equation of state of hot and cold, nuclear and neutron matter. The calculations cover a wide density range of interest in heavy-ion collisions and astrophysics. The “hot” calculations are limited to temperatures less than 20 MeV. A realistic nuclear hamiltonian that contains two- and three-nucleon interactions and fits the nucléon-nucléon scattering, as well as nuclear matter data, is used. Neutron star structure calculations are reported and their sensitivity to the three-neutron interactipn is examined. The liquid-vapor phase equilibrium, as well as the behavior of the effective mass in nuclear matter is discussed.     

Surface and near-surface passivation, chemical reaction, and Schottky barrier formation at ZnO surfaces and interfaces

Using a combination of depth-resolved cathodoluminescence spectroscopy, electronic transport, and surface science techniques, we have demonstrated the primary role of native defects within ZnO single crystals as well as native defects created by metallization on metal-ZnO Schottky barrier heights and their ideality factors. Native defects and impurities resident within the ZnO depletion region as well as defects extending into the bulk from the intimate metal-ZnO interface contribute to barrier thinning of, carrier hopping across, and tunneling through these Schottky barriers. Chemical reactions at clean ZnO-metal interfaces lead to metal-specific eutectic or oxide formation with pronounced transport effects. These results highlight the importance of bulk crystal quality, surface cleaning, metal interaction, and post-metallization annealing for controlling Schottky barriers.     

XANES and EXAFS in Cu-Ti and Ni-Zr glasses

X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements have been done at the K-edge of Cu in Cu-Ti glasses and on the K-edges of Ni and Zr in Ni-Zr glasses using a synchrotron radiation source. The results are discussed in terms of the shape shift and intensity of the absorption edge as well as the principal absorption maximum. The values of bondlength calculated by the one-electron multiple scattering XANES theory as well as the graphical analysis EXAFS technique show good agreement.     

High-loading polyglycerol supported reagents for Mitsunobu- and acylation-reactions and other useful polyglycerol derivatives

Summary In this paper we present soluble dendritic polyglycerol (PG) supported reagents PG-DEAD, PG-PPh₃, and PG-DCC as well as scavengers PG-carbonate, PG-carbazate, and PG-amine, which all have been synthesized in high overall conversions and yields using simple purification techniques. The supported reagents have been used simultaneously in Mitsunobu and acylation reactions. All polymeric reagents and scavengers can be removed by simple precipitation/filtration protocols to give chromatography-free products of high purity. In the course of the syntheses of the polymeric reagents three intermediates turned out to be precious polyglycerol derivatives: a mixed carbonate as an electrophilic derivative, polyglyceryl carbazate as a scavenger for carbonyl compounds, as well as polyglycerylamines as amino analogues of polyglycerol.     

从“福岛第一核电站事故”看我国核能利用的核安全

文章简要说明了福岛第一核电站事故的起因、发展和后果,并对核电站全厂断电、反应堆压力容器及安全壳超压、氢爆等导致事故恶化的原因作了分析.文章还就导致福岛核事故的相关因素与我国核电站的安全设计及防范对策进行了分析比较.在吸取福岛核事故的经验教训方面,文章提出了若干值得引发关注的启示,作为我国在建和在役核电站的改进,以及新设计核电站的参考.文章还就我国能源的状况,核能发展的必要性,以及核能发展的方针进行了探讨.     

Cooperation between scientists and the government in the US: benefits and problems

This paper discusses the importance of maintaining close working relations between scientists and their government. Several examples of this cooperation in the U.S. are presented to illustrate the benefits, as well as problems, that result from such cooperation, or lack thereof. These examples include government support of scientific research, as well as contributions by science to help governments understand both the possibilities and the limitations of science as they formulate national policy.     

Membranes and films of zeolite and zeolite-like materials

An ideal structure of zeolite membrane should be a slice of a perfect zeolite crystal attached on a porous metal or ceramic support. To maximize the throughput, the zeolite layer must be very thin, limited only by the cell dimension of zeolite. Separation of a mixture may then be achieved based on the molecular sieving ability of zeolite, which allows only molecules smaller than a critical size to pass through. A variety of methods have been reported for the preparation of zeolite membranes, but so far a perfect epitaxial zeolite layer is still out of reach and only a polycrystalline zeolite membrane can be obtained. The first part of this review focuses on the permeation of gases and vapors through a polycrystalline zeolite membrane as a separation means. The effect of microstructure on permeance will also be discussed, as well as the preparation methods leading to different microstructures. In addition to the usage as a shape-selective membrane, thin films of zeolite and zeolite-like molecular sieves can also serve as hosts for the encapsulation and orientation of guest atoms and molecules and their clusters. In the second part of this review, the production of layers of aligned microporous molecular sieve crystals on supports and the fabrication of supported thin zeolite-like nanoporous silica films as well as their potential applications on the preparation of advanced materials are discussed.