Molecular-dynamics investigation on polarization retention of barium titanate nanofilm arising from ordered oxygen vacancy

Molecular-dynamics simulations have been carried out to investigate the electric hysteresis of barium titanate nanofilm containing oxygen vacancy ordering array parallel to the {101} crystal plane. The results obtained show a significant weakening of polarization retention from non-zero value to zero as the size of the array was reduced to a critical level, which was attributed to the formation and motion of head-to-head domain wall structure under external field loading process. By comparing with materials containing isolated oxygen vacancies, it was found that the zero retention was due to the oxygen vacancy ordering array rather than to the concentration of oxygen vacancy. Copyright (C) EPLA, 2010

Catastrophic rupture of heterogeneous brittle materials under impact loading

The catastrophic failure of heterogeneous brittle materials under impact loading is not fully understood. To describe the catastrophic failure behavior of heterogeneous brittle materials under impact loading, an elasto-statistical-brittle (ESB) model is proposed in this paper. The ESB model characterizes the disordered inhomogeneity of material at mesoscopic scale with the statistical description of the shear strength of mesoscopic units. If the applied shear stress reaches the strength, the mesoscopic unit fails, which causes degradation in the shear modulus of the material. With a simplified ESB model, the failure wave in brittle material under uni-axial compression is analyzed. It is shown that the failure wave is a wave of strain or particle velocity resulted from the catastrophic fracture in an elastically stressed brittle media when the impact velocity reaches a critical value. In addition, the failure wave causes an increase in the rear surface velocity, which agrees well with experimental observations. The critical condition to generate failure wave and the speed of failure wave are also obtained.

Half-Lives of Superheavy Nuclei in Z=113 Alpha Decay Chain

The generalized liquid drop model (GLDM), including the proximity effects and centrifugal potential, and the cluster model with Cosh potential are used to study the half-lives of some Z=113 isotopes and their alpha-decay products.The experimental half-lives of (284)113, (283)113, (282)113and their alpha-decay products are well reproduced by the two models when zero angular momenta transfer is assumed. For (278)113 and its alpha-decay products, both the GLDM andthe cluster model could provide satisfactory results if we assume the alpha particle carry five units of angular momenta, which indicates that possible non zero angular momenta transfer and need further experimental measurements with high precision. Finally, we show that half-lives of alpha-decay are quite sensitive to the angular momentum transfers, and a formula could be used to describe the correlation between alpha-decay half-life and angular momentum transfer successfully.

Slow cross-symmetry phase relaxation in complex collisions

We discuss the effect of slow phase relaxation and the spin off-diagonal S-matrix correlations on the cross-section energy oscillations and the time evolution of the highly excited intermediate systems formed in complex collisions. Such deformed intermediate complexes with strongly overlapping resonances can be formed in heavy-ion collisions, bimolecular chemical reactions, and atomic cluster collisions. The effects of quasiperiodic energy dependence of the cross sections, coherent rotation of the hyperdeformed similar or equal to(3 : 1) intermediate complex, Schrodinger cat states, and quantum-classical transition are studied for Mg-24 + Si-28 heavy-ion scattering.

The equation of state study in UU collisions at CSR, Lanzhou

The cooling storage ring, to be built at Lanzhou, will be able to deliver heavy ion beams up to uranium up to 0.52 GeV/u. It is expected to make considerable contribution to nuclear EOS study in the high net baryon-density region. With a relativistic transport model, we performed simulations for U+U collisions with different orientations. It is shown that by combining the forward neutron multiplicity and an event-wise elliptic flow selection, it is possible to identify the tip - tip and body - body head-on collisions. The effective identification of these two extreme configurations will allow us to study the EOS at the highest baryon density in the U+U collisions.

Systematic study of properties of Hs nuclei

The ground-state properties of Hs nuclei are studied in the framework of the relativistic meanfield theory. We find that the more relatively stable isotopes are located on the proton abundant side of the isotopic chain. The last stable nucleus near the proton drip line is probably the (255)Hs nucleus. The alpha-decay half-lives of Hs nuclei are predicted, and together with the evaluation of the spontaneous-fission half-lives it is shown that the nuclei, which are possibly stable against spontaneous fission are (263-274)Hs. This is in coincidence with the larger binding energies per nucleon. If (271-274)Hs can be synthesized and identified, only those nuclei from the upper Z = 118 isotopic chain, which are lighter than the nucleus (294)118, and those nuclei in the corresponding alpha-decay chain lead to Hs nuclei. The most stable unknown Hs nucleus is (268)Hs. The density-dependent delta interaction pairing is used to improve the BCS pairing correction, which results in more reasonable single-particle energy level distributions and nucleon occupation probabilities. It is shown that the properties of nuclei in the superheavy region can be described with this interaction.

CHARMED BARYON IN A STRING MODEL

Charmed baryon spectroscopy has been studied under a string model. In this model, charmed baryons are composed of a diquark and a charm quark which are connected by a constant tension. In this diquark picture, the quantum numbers J(P) of confirmed baryons have been well assigned. Energies of the first and second orbital excitations have been predicted and compared with the experimental data. Meanwhile, diquark masses have been extracted in the background of charm quark which satisfy a splitting relation based on spin-spin interaction.

Multiphoton ionization of pyrrole-water mixed clusters

Multiphoton ionization of the hydrogen,bonded pyrrole-water clusters (C4H5N)(n)(H2O)(m) is studied with a reflectron-time of flight mass spectrometer at 355 mn. With increasing partial concentration of pyrrole in a gas mixture source, a series of poly-pyrrole-water binary-mixed cluster ions can be observed, including unprotonated cluster ions [(C4H5N)(x)(H2O)(y)](+), protonated cluster ions [(C4H5N)(x)(H2O)(y)](+) and dehydrogenated cluster ions [(C4H4N)(C4H5N)(x)(H2O)(y)](+). Ab initio calculations of their structures, bond strengths, charge distributions and reaction energies are carried out. Stable structures of these clusters are obtained from the calculations. A probable formation mechanism of the cluster ions [(C4H5N)(x)(H2O)(y)](+), [(C4H5N)(x)(H2O)(y)]H+ and [(C4H4N)(C4H5N)(x) (H2O)(y)](+) is supposed to be the ionization of clusters followed by dissociation.

Multivariate optimization in micellar electrokinetic capillary chromatography

The optimization of the organic modifier concentration in micellar electrokinetic capillary chromatography (MECC) has been achieved by a uniform design and iterative optimization method, which has been developed for the optimization of composition of the mobile phase in high performance liquid chromatography. According to the proposed method, the uniform design technique has been applied to design the starting experiments, which can reduce the number of experiments compared with traditional simultaneous methods, such as the orthano design. The hierarchical chromatographic response function has been modified to evaluate the separation quality of a chromatogram in MECC. An iterative procedure has been adopted to search the optimal concentration of organic modifiers for improving the accuracy of retention predicted and the quality of the chromatogram. Validity of the optimization method has been proved by the separation of 31 aromatic compounds in MECC. (C) 2000 John Wiley & Sons, Inc.

辽东湾湿地环境保护与资源持续利用对策

Current situation of wetland resources in Liaodong bay area are investigated. Main environmental elements are monitored and evaluated. Based on the research, the influences of resources utilization on environment are predicted, and the strategies for protecting environment and sustainable utilization of wetland resources are put forward.

Carbon dioxide/propylene oxide coupling reaction catalyzed by chromium salen complexes

A series of chromium/Schiff base complexes N,N'-bis(salicylidene)-1,2-phenylenediamino chromium(III) X were prepared and employed for the alternating copolymerization of carbon dioxide with racemic propylene oxide in the presence of (4-dimethylamino)pyridine. The effect of the complex structure and reaction conditions on the catalytic activity, the poly(propylene carbonate)/cyclic carbonate (PPC/PC) selectivity, and the polymer head-to-tail linkages was examined. The experiments indicated that N,N'-bis(3,5-di-tert-butylsalicylidene)-1,2-phenylenediamino chromium(III) (NO3) exhibited the highest PPC/PC selectivity as well as polymer head-to-tail linkages and N,N'-bis(3,5-dichlorosalicylidene)-1,2-phenylenediimino chromiu(III) (NO3) possessed the highest catalytic activity among these chromium/Schiff base complexes. The structure of the produced copolymer was characterized by the IR, H-1 NMR, and C-13 NMR measurements.

Extended application of edge-to-edge matching model to HCP/HCP (alpha-Mg/MgZn2) system in magnesium alloys

In the present work, the edge-to-edge matching model has been introduced to predict the orientation relationships (OR) between the MgZn2 phase which has hexagonal close packed (HCP) structure and the HCP a-Mg matrix. Based on the crystal structures and lattice parameters only, the model has predicted the two most preferred ORs and they are: (1) [1 1 2 3](alpha-Mg) vertical bar vertical bar]1 1 2 3](alpha-Mg), (0 0 0 1)(alpha-Mg) 0.27 degrees from (0 0 0 1)(MgZn2), (1 0 1 1)(alpha-Mg) 26.18 degrees from (1 1 2 2)(MgZn2), (2) [1 0 1 0](alpha-Mg),vertical bar vertical bar[1 1 2 0](MgZn2), (0 0 0 1)(alpha-Mg) vertical bar vertical bar(0 0 0 1)(MgZn2), (1 0 1 1)(alpha-Mg) 3.28 degrees from ( 1 1 2 2)(MgZn2). Four experimental ORs have been reported in the alpha-Mg/MgZn2 system, and the most frequently reported one is ideally the OR (2). The other three experimental ORs are near versions of the OR (2). The habit plane of the OR (2) has been predicted and it agrees well with the experimental results.

Flexural fatigue behavior of injection-molded composites based on poly(phenylene ether ketone)

Flexural fatigue tests were conducted on injection-molded short fiber composites, carbon fiber/poly(phenylene ether ketone) (PEK-C) and glass fiber/PEK-C (with addition of polyphenylene sulfide for improving adhesion between matrix and fibers), using four-point bending at stress ratio of 0.1. The fatigue behavior of these materials was presented. By comparing the S-N curves and analyzing the fracture surfaces of the two materials, the similarity and difference of the failure mechanisms in the two materials were discussed. It is shown that the flexural fatigue failure of the studied materials is governed by their respective tensile properties. The matrix yielding is main failure mechanism at high stress, while at lower stress the fatigue properties appear fiber and interface dominated. (C) 1997 John Wiley & Sons, Inc.

节能有效的无线传感器网络状态信息收集算法

网络状态信息收集协议既要保证信息收集的准确性、实时性,又要保证协议算法的轻量级特性。为解决上述矛盾问题,提出了一种轻量级的、能量有效的、基于无损聚合的层次分簇数据收集机制(QTBDC)。QTBDC首先对网络节点编码并在节点间建立起一个逻辑层次簇结构,然后利用各个子簇状态数据的相似性和编码的连续性,实现了网内无损聚合。该监测机制使得网络状态信息的收集在不丢失数据细节信息的情况下,数据通信量大大减少。经过仿真分析表明,该方法与现有经典数据收集方法相比,实现了节能,延长了网络的生命期。

基于人工神经网络的PC钢棒力学性能预报模型

提出一种PC钢棒抗拉强度的人工神经网络模型方法,采用4×9×1的三层前向BP网络结构,模型主要因素为淬火温度、回火温度、含碳量和单位长度质量。经1500余次训练后,误差平方和