Density functional theory for molecular orientation of hard rod fluids in hard slits

A density functional theory （DFT） is used to investigate molecular orientation of hard rod fluids in a hard slit. The DFT approach combines a modified fundamental measure theory （MFMT） for excluded-volume effect with the first order thermodynamics perturbation theory for chain connectivity. In the DFT approach, the intra-molecular bonding orientation function is introduced. We consider the effects of molecular length （i.e. aspect ratio of rod） and packing fraction on the orientations of hard rod fluids and flexible chains. For the flexible chains, the chain length has no significant effect while the packing fraction shows slight effect on the molecular orientation distribution. In contrast, for the hard rod fluids, the chain length determines the molecular orientation distribution, while the packing fraction has no significant effect on the molecular orientation distribution. By making a comparison between molecular orientations of the flexible chain and the hard rod fluid, we find that the molecular stiffness distinctly affects the molecular orientation. In addition, partitioning coefficient indicates that the longer rodlike molecule is more difficult to enter the confined phase, especially at low bulk packing fractions.

Effects of task orientation on subsequent source memory as revealed by functional MRI

Episodic memories are composed of various interrelated elements, including those specific to items of central interest and those pertaining to related features, such as the color, shape, size, spatial location, temporal order, and media or modalities of presentation. Memory about a core item （such as a word, object, or picture） is called item memory while memory about the context or related fea- tures of a core item is defined as source memory. What determines which sources within an episode are successfully remembered is of particular interest to researchers. Behavioral evidence suggests that the orientation of a memory task influences whether the related source of the item will be re- membered later. This study explored changes in the hippocampus and prefrontal cortex while par- ticipants completed two tasks： an item-oriented task and a source-oriented task. We used functional MRI to investigate the neural mechanisms by which task orientation influences source encoding. We found that subsequent source memory effects in the right prefrontal cortex and hippocampus were modulated by task orientation, whereas task orientation modulated item memory effects in the prefrontal cortex. These findings highlight the possibility that the hippocampus contributes to the intentional encoding of item-source associations, whereas the prefrontal cortex is biased toward processing information to which attention is directed.

Research on Functional Orientation and Industrial Distribution of Cruise Town in Baoshan District, Shanghai

Currently, the cruise market in North America is almost saturated and that in Europe is restricted by the scale. However, the cruise market prospect in East Asia is broad due to the deep cultural heritage, abundant tourism resources and large population base, resulting in the shift of the global cruise industry eastward to Asia. The position of Asia in the global cruise economy has become prominent increasingly. As a part of Shanghai, one of the most economically powerful coastal cities in China, Baoshan has national leading land, sea and air transportation networks, huge passenger flow and natural deep water terminals. Therefore, Shanghai steps in front in the development of cruise economy, shouldering the responsibility of a leader in the development of the national cruise industry. It will accelerate the growth of Shanghai＇s cruise industry to plan and construct the ＂cruise town＂ in Baoshan. In this paper, the author aims to further analyze the current construction orientation and development goal of the cruise town by studying the industrial base and analyzing the environment for the cruise town construction in Baoshan, explore the industrial distribution for the construction and development of the cruise town from the perspectives of tourism industry, leisure industry, finance and other service industries, and information industry, conduct in-depth analysis on the ideas about industrial distribution, and determine the system guarantee for industrial development so as to promote the healthy and orderly development of the cruise industry in China.

定向电场下W_(6)C_(6)团簇的超卤素调制及非线性光学特性

本文采用密度泛函(DFT)方法研究了定向外电场(OEEF)对W_(6)C_(6)团簇几何结构、电子性质以及非线性光学响应(NLO)的影响.计算结果表明W_(6)C_(6)的结构在一定OEEF强度下可以保持稳定.OEEF可以增大W_(6)C_(6)团簇的电子亲和能(EA值),且在特定强度下,OEEF可以将W_(6)C_(6)团簇转变为超卤素.通过对EA值的非线性拟合可以实现对W_(6)C_(6)团簇的连续调制.进一步对不同外电场下W_(6)C_(6)团簇的最高占据分子轨道(HOMO)和最低未占据分子轨道(LUMO)能级进行分析,发现OEEF降低了W_(6)C_(6)团簇LUMO能级是其EA值增大的主因.此外,OEEF可以显著增大W_(6)C_(6)团簇的平均极化率和第一超极化率,尤其是第一超极化率,改变其非线性光学性质.

Research on the behavior of fiber orientation probability distribution function in the planar flows

The equation of two-dimensional fiber direction vector was solved theoretically to give the fiber orientation distri- bution in simple shear flow, flow with two direction shears, extensional flow and arbitrary planar incompressible flow. The Fok- ker-Planck equation was solved numerically to validify the theoretical solutions. The stable orientation and orientation period of fiber were obtained. The results showed that the fiber orientation distribution is dependent on the relative not absolute magnitude of the matrix rate-of-strain of flow. The effect of fiber aspect ratio on the orientation distribution of fiber is insignificant in most conditions except the simple shear case. It was proved that the results for a planar flow could be generalized to the case of 3-D fiber direction vector.

Brain activation patterns associated with sexual orientation in homosexual male and female: a case study with 3.0T fMRI

This study was performed to clarify the sexual orien-tation in a 19-year-old homosexual male and a 20-year-old homosexual female by using a functional magnetic resonance imaging (fMRI) with viewing male and female erotic nude pictures. The sex hor-mone levels of the homosexual male and female were in the normal range of healthy heterosexual males and females, respectively. In both homosexuals more significant brain activities were observed while view-ing the nude pictures of the same genetic sex than those of the opposite sex in the frontal cortex, parietal cortex, occipital cortex, anterior cingulate gyrus, amygdala, midbrain, hippocampus, orbitofrontal cortex, parahippocampal gyrus, thalamus, globus pallidus, and putamen, which are known to be re-sponsive to sexual arousal. The homosexual male and female showed a tendency toward higher sexual arousal to the same genetic sex as comparison with the opposite sex. This finding may be useful to un-derstand the different neural mechanisms on sexual arousal in homosexuals.

Analysis on Function Orientation and Development Countermeasures of New Agricultural Business Entities

Along with the rapid advance of industrialization and urbanization process, fostering new agricultural business entities become inevitable for agricultural transformation and the construction of agricultural modernization in China. The status of the new agricultural business entities determines the level of modern agricultural development. In recent years, new agricultural business entities have grew rapidly. However, there are still many problems including the difficulties in financing loans, inadequate agricultural insurance system, bad implementation of agricultural subsidies, jagged agricultural talents and so on. In order to foster new agricultural business entities, countermeasures should be carried out to ensure financial support, perfect the agricultural insurance, strengthen the level of agricultural subsidies, strive to develop the degree of specialization agricultural operators and so on.

Prediction of application scope of vertical fracture strike based on scattered wave fracture orientation function

Fracture system plays a very important role in the enrichment and accumulation of oil and gas in the reservoirs. Based on scattering wave information, Fracture Orientation Function （FOF） was built, which can be used to predict the fracture orientations. However, this method has only been verified by physical experiments without studies on the application scope. In this study, based on the linear sliding theory, F0F of the scattering wave was applied to the numerical simulation and the application scope was further studied according to fracture flexibility tensor. According to the fractures filled with gas and liquid, numerical simulation was conducted on the models with various fracture flexibilities. Numerical simulation results were used to inverse fracture orientation with the aid of the FOF of the scattering wave. The results show that it is workable to predict the vertical fracture orientation with the F0F of the scattering wave. Application of this method is more effective when the fractures are filled with gas than liquid. Moreover, the application scope can be predicted by the fracture flexibility.

ORIENTATION DISTRIBUTION FUNCTIONS FOR MICROSTRUCTURES OF HETEROGENEOUS MATERIALS (Ⅰ) ──DIRECTIONAL DISTRIBUTION FUNCTIONS AND IRREDUCIBLE TENSORS

In this two_part paper, a thorough investigation is made on Fourier expansions with irreducible tensorial coefficients for orientation distribution functions (ODFs) and crystal orientation distribution functions (CODFs), which are scalar functions defined on the unit sphere and the rotation group, respectively. Recently it has been becoming clearer and clearer that concepts of ODF and CODF play a dominant role in various micromechanically_based approaches to mechanical and physical properties of heterogeneous materials. The theory of group representations shows that a square integrable ODF can be expanded as an absolutely convergent Fourier series of spherical harmonics and these spherical harmonics can further be expressed in terms of irreducible tensors. The fundamental importance of such irreducible tensorial coefficients is that they characterize the macroscopic or overall effect of the orientation distribution of the size, shape, phase, position of the material constitutions and defects. In Part (Ⅰ), the investigation about the irreducible tensorial Fourier expansions of ODFs defined on the N_dimensional (N_D) unit sphere is carried out. Attention is particularly paid to constructing simple expressions for 2_ and 3_D irreducible tensors of any orders in accordance with the convenience of arriving at their restricted forms imposed by various point_group (the synonym of subgroup of the full orthogonal group) symmetries. In the continued work -Part (Ⅱ), the explicit expression for the irreducible tensorial expansions of CODFs is established. The restricted forms of irreducible tensors and irreducible tensorial Fourier expansions of ODFs and CODFs imposed by various point_group symmetries are derived.

ORIENTATION DISTRIBUTION FUNCTIONS FOR MICROSTRUCTURES OF HETEROGENEOUS MATERIALS (Ⅱ)──CRYSTAL DISTRIBUTION FUNCTIONS AND IRREDUCIBLE TENSORS RESTRICTED BY VARIOUS MATERIAL SYMMETRIES

The explicit representations for tensorial Fourier expansion of 3_D crystal orientation distribution functions (CODFs) are established. In comparison with that the coefficients in the mth term of the Fourier expansion of a 3_D ODF make up just a single irreducible mth_order tensor, the coefficients in the mth term of the Fourier expansion of a 3_D CODF constitute generally so many as 2m+1 irreducible mth_order tensors. Therefore, the restricted forms of tensorial Fourier expansions of 3_D CODFs imposed by various micro_ and macro_scopic symmetries are further established, and it is shown that in most cases of symmetry the restricted forms of tensorial Fourier expansions of 3_D CODFs contain remarkably reduced numbers of mth_order irreducible tensors than the number 2m+1 . These results are based on the restricted forms of irreducible tensors imposed by various point_group symmetries, which are also thoroughly investigated in the present part in both 2_ and 3_D spaces.

NUMERICAL SIMULATION OF ORIENTATION DISTRIBUTION FUNCTION OF CYLINDRICAL PARTICLE SUSPENSIONS

The orientation distribution function of cylindrical particle suspensions was deduced and numerically simulated, and an application was taken in a wedge-shaped flow field. The relationship between the orientation distribution function and particle orientation angles was obtained. The results show that comparing with the most probable angle distribution which comes to being in short time, the distribution of the steady state doesn't vary much. in range; the main difference is the anti-clockwise rotation in the right and upper field, that is, particles rotate more at the points where the velocity gradients are larger. The most probable orientations are close to the direction of local streamlines. In the direction of streamlines, with poleradius decreasing, the most probable angles increase, but the angles between their orientations and the local streamlines decrease.

On the Government Function Orientation in China's Agricultural Management Reform

Since the reform and opening up,China's market-oriented agricultural management reform has achieved remarkable results,but the reform has not yet been put in place,and there are some flaws in some areas of reform.To deepen the reform of government's agricultural management reform under the new situation,it is necessary to further define the boundary between government and market on the basis of following the general rules of world's agricultural development and considering China's special situation of agriculture,nail down the scope of government functions,pinpoint the key areas of reform,and actively promote the rapid development of China's characteristic modern agriculture.

Effects of ply orientation and material on the ballistic impact behavior of multilayer plain-weave aramid fabric targets

Virtual testing of fabric armor provides an efficient and inexpensive means of systematically studying the influence of various architectural and material parameters on the ballistic impact behavior of woven fabrics, before actual laboratory prototypes are woven and destructively tested. In this finite element study, the combined effects of individual ply orientations and material properties on the impact performance of multi-layered, non-stitched woven aramid fabrics are studied using 2-and 4-sided clamping configurations. Individual ply orientations of 0°, ±15°, ±30°, and ±45° are considered along with three levels of inter-yarn friction coefficient. Functionally graded fabric targets are also considered wherein the yarn stiffness progressively increases or decreases through the target thickness while keeping the yarn strain energy density constant and with all other material and architectural parameters unchanged for consistency. For each target configuration, one non-penetrating and one penetrating impact velocity is chosen. The impact performance is evaluated by the time taken to arrest the projectile and the backface deformation for the non-penetrating impacts, and by the residual velocity for the penetrating impact tests. All deterministic impact simulations are performed using LS-DYNA. 2-sided clamped targets and lower inter-yarn frictional levels generally resulted in better impact performance.The functionally graded targets generally showed either similar or inferior impact performance than the baseline fabric target configurations for the non-penetrating shots. Some performance improvements were observed for the penetrating shots when the yarn stiffness was progressively decreased through the layers in a direction away from the strike face, with additional performance enhancements achieved by simultaneously reducing the inter-yarn friction.

Fabrication and characterization of high density LaB_(6) polycrystalline with(100) preferred orientation

High density lanthanum hexaboride(LaB_(6))polycrystalline with(100)preferred orientation was prepared by spark plasma sintering(SPS)using LaB_(6) nanocubes as raw materials in this work.Microstructure and thermionic electron emission property of LaB_(6) polycrystalline were investigated detailedly.The results show that the LaB_(6) polycrystalline had a relative density of 95.8%,and there was a(100)preferred orientation on its surface normal to SPS pressing direction.The work function of LaB_(6) polycrystalline normal surface was only 2.73 eV,which was almost close to the theoretical work function of LaB_(6)(100)single crystal surface.The reasons for preferential orientation of LaB_(6) polycrystalline were analyzed.

Effect of crystallographic orientations on transport properties of methylthiol-terminated permethyloligosilane molecular junction

The understanding of the influence of electrode characteristics on charge transport is essential in the field of molecular electronics.In this work,we investigate the electronic transport properties of molecular junctions comprising methylthiolterminated permethyloligosilanes and face-centered crystal Au/Ag electrodes with crystallographic orientations of(111)and(100),based on the ab initio quantum transport simulations.The calculations reveal that the molecular junction conductance is dominated by the electronic coupling between two interfacial metal–S bonding states,which can be tuned by varying the molecular length,metal material of the electrodes,and crystallographic orientation.As the permethyloligosilane backbone elongates,although theσconjugation increases,the decreasing of coupling induced by the increasing number of central Si atoms reduces the junction conductance.The molecular junction conductance of methylthiol-terminated permethyloligosilanes with Au electrodes is higher than that with Ag electrodes with a crystallographic orientation of(111).However,the conductance trend is reversed when the electrode crystallographic orientation varies from(111)to(100),which can be ascribed to the reversal of interfacial coupling between two metal–S interfacial states.These findings are conducive to elucidating the mechanism of molecular junctions and improving the transport properties of molecular devices by adjusting the electrode characteristics.

公立医院绩效考核背景下某三级医院落实功能定位的案例分析

公立医院绩效考核,为各级公立医院的发展指明了方向。某三甲医院在医院功能定位落实过程中,总结了现阶段医院发展面临的诸多问题,概括为以下四个方面:①精细化管理程度不足;②学科发展方向不明晰;③医疗运行效率提升遇到瓶颈;④支付方式改革给医院带来了新挑战。针对以上问题,医院于2022年5月启动了精细化管理实践。以外科科室为试点,通过信息系统建设为精细化管理提升奠定基础,通过管理流程优化提高医疗运行效率,通过亚专科和学科联盟建设提高学科整体竞争力,通过调整绩效考核指标体系发挥绩效激励作用。以上措施有效提升了医院整体的医疗服务能力及效率,为医院高质量发展提供了助力。

Measuring Fiber Orientation in Nonwoven Fabrics by Laser Scattering Method Part Ⅱ: Algorithm and Verification

The algorithm for evaluation of fiber orientation distribution function (ODF) by laser scattering method based on 2 - dimentional model of fiber arrangement and the method of determining diffuse scattering intensity are presented. The fiber ODFs of nonwoven samples measured by the computer-program-controlled laser scattering intensity testing system are compared with that of the data obtained by microprojector method. The results show that the algorithm is feasible for assessing the fiber ODFs of nonwoven fabrics manufactured by different processing methods.

Analysis and Research on the Functional Value and Development Opportunities of Hainan National Breeding and Multiplication

To further specify significance and development orientation of Hainan National Breeding and Multiplication ( hereinafter referred to as HNBM) ,such concepts as value engineering,industrial cluster and regional economy were introduced by analyzing its properties and interpreting relevant policies,its functions,value and development opportunities were analyzed from multiple perspectives. According to the comprehensive analysis,HNBM concerns national core political and economic benefits in strategic and fundamental sense,which is a result of powerful comprehensive functions of HNBM and need of modern agricultural development. In addition,HNBM has a bottleneck in the development of industrial cluster. Only co-promoted by the province and the ministry,and by applying top-level design,breaking the conditionality,integrating and optimizing existing resources,HNBM will be constructed into a high-new seed industry center.

公益诉讼惩罚性赔偿责任的体系定位

独立的制度空间是发挥独立价值的基础,公益诉讼惩罚性赔偿首先需要厘清的是其与刑事罚金、行政罚款的关系,讨论在刑事罚金和行政罚款之下还有无独立的制度空间。在功能上,三者具有同质性,均旨在惩罚遏制违法行为;在适用的案件范围上,食品公益诉讼惩罚性赔偿与食品犯罪趋同,并被行政处罚所包含;在金钱罚手段上,针对食品违法行为,《刑法》与《食品安全法》规定了足够的金钱罚手段,客观上无需公益诉讼惩罚性赔偿予以补足。因此,公益诉讼惩罚性赔偿并无大范围适用的必要。但公益诉讼惩罚性赔偿相对于刑事处罚与行政处罚具有自身的制度优势,其适用范围应据此确定,以形成相互区分又有机衔接的规制体系。

日常的温暖:“为人”的公共空间

后疫情时代背景下,我国城市建设中尤其需要重视“以人为本”的规划设计,实现环境品质的精细化提升。文章针对快速建设中城市公共空间的规划设计重宏大叙事、轻日常使用的现象,通过问题和症结解析,强调公共空间营造需顺应时代发展下的新需求新动向,突出“为人”的初心,成就“日常温暖”的公共场所,并提出了“径、空、用、场”四项关键原则,即“步行力可及、空间好体验、日常多功用、场所有归属”。