Geometric and electronic effects on the performance of a bifunctional Ru2P catalyst in the hydrogenation and acceptorless dehydrogenation of N‐heteroarenes

The development of bifunctional catalysts for the efficient hydrogenation and acceptorless dehydrogenation of N‐heterocycles is a challenge.In this study,Ru_(2)P/AC effectively promoted reversible transformations between unsaturated and saturated N‐heterocycles affording yields of 98%and 99%,respectively.Moreover,a remarkable enhancement in the reusability of Ru_(2)P/AC was observed compared with other Ru‐based catalysts.According to density functional theory calculations,the superior performance of Ru_(2)P/AC was ascribed to specific synergistic factors,namely geometric and electronic effects induced by P.P greatly reduced the large Ru‐Ru ensembles and finely modified the electronic structures,leading to a low reaction barrier and high desorption ability of the catalyst,further boosting the hydrogenation and acceptorless dehydrogenation processes.

THE TRANSVERSAL GEOMETRIC EFFECTS IN A FREE ELECTRON LASER

The effects of a beam thickness and a conducting wall in a free electron laser with a linearlypolarized wiggler magnetic field and an axial magnetic field are investigated within the framework of fluid-Maxwell equations.The growth rate of free electron laser instability is obtained,in which the nonlinear bulkand surface current density are simultaneously considered.The numerical calculations indicate that the bulkcoupling is dominant.There is an optimum beam thickness and separation between the conducting walls forwhich the growth rate is maximum.

Synthesis of linear and V-shaped oligo(phenylene ethynylene) derivatives:Geometric effects on photophysical properties

A series of linear and V-shaped oligo(phenylene ethynylene) derivatives 1-3 were synthesized through sequent Sonogashira coupling and propargyl alcohol deprotection reaction in high yields.The alkoxy chains(i.e.,n-hexyloxy groups) were introduced to assure good solubility of compounds 1-3 in common solvents.The photophysical properties of 1-3 in solution depend strongly on the geometries of these compounds.

Geometric phase under the Unruh effect with intermediate statistics

Utilizing the geometric phase(GP)acquired in a quantum evolution,we manifest the thermality and quantum nature of the Unruh effect of an accelerating detector.We consider an UDW detector coupling to a conformal field in Minkowski spacetime,whose response spectrum exhibits an intermediate statistics of(1+1)anyon field.We find that comparing to an inertial moving detector,the GP in accelerating frame is modified after the nonunitary evolution of the detector due to the Unruh effect.We show that such modification can distinguish the different thermalizing ways of the detector,which depends on the scaling dimension of the conformal primary field.Finally,we estimate the difference between the GP under the Unruh radiation and that in a thermal bath for a static observer,which reveals the quantum origin of the Unruh effect rather than a conventional thermal noise.

Non-geometrical effects on Gaussian beams transmitting through a thin dielectric slab

It is shown that a Gaussian light beam transmitting through a planar thin dielectric slab in the air undergoes four different effects, i.e. lateral Goos-Hanchen-like （GHL） displacement, angular deflection, width modification and longitudinal focal shift as compared with the results predicted by geometrical optics. According to the Taylor expansion of the exponent of transmission coefficient when expressed as an exponential form, the lateral GHL displacement and the angular deflection are the first-order effects and can be negative or positive. The width modification and the longitudinal focal shift are the second-order effects and can also be positive or negative. Owing to the waist-width dependent term, the non-geometrical effects of transmitted beam are not identical with the non-specular effects of reflected beam. The conditions for the validity of those effects are suggested and numerical simulations are also given.

New tangent stiffness matrix for geometrically nonlinear analysis of space frames

A three-dimensional beam element is derived based on the principle of stationary total potential energy for geometrically nonlinear analysis of space frames. A new tangent stiffness matrix, which allows for high order effects of element deformations, replaces the conventional incremental secant stiffness matrix. Two deformation stiffness matrices due to the variation of axial force and bending moments are included in the tangent stiffness. They are functions of element deformations and incorporate the coupling among axial, lateral and torsional deformations. A correction matrix is added to the tangent stiffness matrix to make displacement derivatives equivalent to the commutative rotational degrees of freedom. Numerical examples show that the proposed dement is accurate and efficient in predicting the nonlinear behavior, such as axial-torsional and flexural-torsional buckling, of space frames even when fewer elements are used to model a member.

A Statistical Model with Non-Linear Effects and Non-Proportional Hazards for Breast Cancer Survival Analysis

The Cox proportional hazard model is being used extensively in oncology in studying the relationship between survival times and prognostic factors. The main question that needs to be addressed with respect to the applicability of the Cox PH model is whether the proportional hazard assumption is met. Failure to justify the subject assumption will lead to misleading results. In addition, identifying the correct functional form of the continuous covariates is an important aspect in the development of a Cox proportional hazard model. The purpose of this study is to develop an extended Cox regression model for breast cancer survival data which takes non-proportional hazards and non-linear effects that exist in prognostic factors into consideration. Non-proportional hazards and non-linear effects are detected using methods based on residuals. An extended Cox model with non-linear effects and time-varying effects is proposed to adjust the Cox proportional hazard model. Age and tumor size were found to have nonlinear effects. Progesterone receptor assay status and age violated the proportional hazard assumption in the Cox model. Quadratic effect of age and progesterone receptor assay status had hazard ratio that changes with time. We have introduced a statistical model to overcome the presence of the proportional hazard assumption violation for the Cox proportional hazard model for breast cancer data. The proposed extended model considers the time varying nature of the hazard ratio and non-linear effects of the covariates. Our improved Cox model gives a better insight on the hazard rates associated with the breast cancer risk factors.

Microsphere femtosecond laser sub-50 nm structuring in far field via non-linear absorption

Creation of arbitrary features with high resolution is critically important in the fabrication of nano-optoelectronic devices.Here,sub-50 nm surface structuring is achieved directly on Sb2S3 thin films via microsphere femtosecond laser irradi-ation in far field.By varying laser fluence and scanning speed,nano-feature sizes can be flexibly tuned.Such small patterns are attributed to the co-effect of microsphere focusing,two-photons absorption,top threshold effect,and high-repetition-rate femtosecond laser-induced incubation effect.The minimum feature size can be reduced down to~30 nm(λ/26)by manipulating film thickness.The fitting analysis between the ablation width and depth predicts that the feature size can be down to~15 nm at the film thickness of~10 nm.A nano-grating is fabricated,which demonstrates desirable beam diffraction performance.This nano-scale resolution would be highly attractive for next-generation laser nano-lithography in far field and in ambient air.

Additivity rule for electron-molecule total cross section calculations at 50-5000 eV: a new geometrical approach

Taking into consideration the changes of the geometric shielding effect in a molecule as the energy of incident electrons varies, this paper presents an empirical fraction, which depends on the energy of incident electrons, the target＇s molecular dimension and the atomic and electronic numbers in the molecule. Using this empirical fraction, it proposes a new formulation of the additivity rule. Employing the new additivity rule, it calculates the total cross sections of electron scattering by C2H4, C6H6, C6H14 and C8H18 over the energy range from 50 to 5000eV. In order to exclude the calculation deviations caused by solving the radial Schrodinger equation of electron scattering by atoms, here the atomic cross sections are derived from the experimental total cross section results of simple molecules （H2, O2, CO） via the inversion algorithm. The quantitative total cross sections are compared with those obtained by experiments and other theories, and good agreement is obtained over a wide energy range, even at energy of several tens of eV.

Speed Geometric Quantum Logical Gate Based on Double-Hamiltonian Evolution under Large-Detuning Cavity QED Model

We introduce the double-Hamiltonian evolution technique approach to investigate the unconventional geometric quantum logical gate with dissipation under the model of many identical three-level atoms in a cavity~ driven by a classical fieM. Our concrete calculation is made for the case of two atoms for the large-detuning interaction of the atoms with the cavity mode. The main advantage of our scheme is of eliminating the photon flutuation in the cavity mode during the gating. The corresponding analytical results will be helpful for experimental realization of speed geometric quantum logical gate in real cavities.

Non-Linear Effects in Optical Systems by Lie Algebra and Symplectic Mapping

The use of signals of different frequencies determines the geometrical deviation with respect to the optical axes of a given beam. This angle can be determined by Sympletic Map (SM), a powerful and simple mathematical tool for the characterization and construction of images in Geometrical Optics. The Sympletic Map constitutes a Lie Group, with an algebra associated: the Lie Algebra. In general, the SM can be expressed as an infinite series, where each term corresponds to different contributions produced by the optical devices that constitute the optical system (lenses, apertures, bandwidth cutoff, etc.). The level of correction to be performed on the image to recover the original object is clear and controllable by SM. This formalism can be extended easily to physical optics to describe diffraction and interference phenomena.

DIFFERENTIAL GEOMETRICAL METHOD IN ELASTICCOMPOSITE WITH IMPERFECT INTERFACES

A differential geometrical method is for the first time used to calculate the effective moduli of a two-phase elastic composite materials with imperfect interface which the inclusions are assumed to be ellipsoidal of revolutions. All of the interface integral items participating in forming the potential and complementary energy functionals of the composite materials are expressed in terms of intrinsic quantities of the ellipsoidal of revolutions. Based on this, the upper and the lower bound for the effective elastic moduli of the composite materials with inclusions described above have been derived. Under three limiting conditions of sphere, disk and needle shaped inclusions, the results of this paper will return to the bounds obtained by Hashin([6]) (1992).

The Assessment of Non-Linear Effects in Clinical Research

Background: Novel models for the assessment of non-linear data are being developed for the benefit of making better predictions from the data. Objective: To review traditional and modern models. Results, and Conclusions: 1) Logit and probit transformations are often successfully used to mimic a linear model. Logistic regression, Cox regression, Poisson regression, and Markow modeling are examples of logit transformation;2) Either the x- or y-axis or both of them can be logarithmically transformed. Also Box Cox transformation equations and ACE (alternating conditional expectations) or AVAS (additive and variance stabilization for regression) packages are simple empirical methods often successful for linearly remodeling of non-linear data;3) Data that are sinusoidal, can, generally, be successfully modeled using polynomial regression or Fourier analysis;4) For exponential patterns like plasma concentration time relationships exponential modeling with or without Laplace transformations is a possibility. Spline and Loess are computationally intensive modern methods, suitable for smoothing data patterns, if the data plot leaves you with no idea of the relationship between the y- and x-values. There are no statistical tests to assess the goodness of fit of these methods, but it is always better than that of traditional models.

锂离子电池用PET-Cu复合集流体拉伸性能研究

随着锂离子电池技术的不断发展,复合集流体因其具有显著提升电池能量密度和安全性高等优势而引起了产业界的广泛关注。而复合集流体的力学性能可靠性是保证其安全服役的前提,为此,本文针对商业用聚对苯二甲酸乙二醇酯-铜(PET-Cu)复合集流体的拉伸性能开展了系统性的研究。利用扫描电镜、激光共聚焦显微镜、X射线衍射等技术手段对复合集流体材料的表面形貌、微观结构及拉伸断裂行为进行了表征与分析。借助有限元模拟分析了不同几何形状试样在拉伸过程中的应力分布状态;通过数字图像相关技术辅助的拉伸实验研究了取样方向、应变速率及试样几何尺寸对PET-Cu复合集流体拉伸性能的影响规律,并对其应变测量进行了校正。结果表明,采用狗骨状试样并进行应变校正可以更准确地评估复合集流体的拉伸性能;PET-Cu复合集流体的拉伸性能表现出试样取样方向相关性和应变速率敏感性。此外,PET-Cu复合集流体的断裂伸长率表现出明显的试样几何尺寸效应,通过引入几何尺寸系数K可以对不同尺寸的试样拉伸性能进行合理的预测。本研究为聚合物复合集流体实际应用提供了理论依据与可靠性的论证,也为相关试验标准的建立提供了参考,有望推动高性能锂离子电池的开发。

基于实际预压载作业的自升式平台环境载荷图谱绘制新思路

The environmental load chart is an important technical support required for the jack-up drilling platform to facilitate its adaptation to different operating waters and ensure the safety of operation.This chart is a crucial part of the platform operation manual.The chart data are closely related to external factors such as water depth,wind,wave,and current conditions of the working water,as well as to the structural characteristics of the platform itself and the number of variable loads.This study examines the platform state under extreme wind,wave,and current conditions during preloading.In addition,this study focuses on the difference between the ultimate reaction force of the pile leg during preloading and the reaction force of the pile leg without considering any environmental load before preloading.Furthermore,the relationship between the difference and the new reaction force of the pile leg caused by the combination of different environmental conditions is established to facilitate the construction of a new form of environmental load chart.The newly formed chart is flexible and simple;thus,it can be used to evaluate the environmental adaptability of the platform in the target well location and provides the preloading target demand or variable load limit according to the given environmental constraints.Moreover,the platform can perform personalized preloading operations,thereby improving its capability to cope with complex geological conditions,such as reducing punch-through risks.This condition reduces the load on jacking system devices and increases its service life.

适用于扩展光源且具有阵列编辑性的透镜组设计

利用自由曲面设计并结合斯涅耳定律以及能量守恒定律,设计出一款能实现大面积均匀光斑的透镜组。该透镜组由一块次透镜和一块主透镜组成,其中次透镜对LED发光角进行收缩来减小透镜组结构,而主透镜对能量进行调控来实现均匀度调节。通过蒙特卡洛光线追迹模拟仿真,单个透镜组在接收面呈现方形均匀光斑,有效辐射通量比达到95.5%,均匀度达到95.7%,表明该透镜组具有良好的有效辐射通量比和均匀度;而透镜组阵列在接收面同样呈现方形均匀光斑,有效光通量比和均匀度均大于95%,表明透镜组阵列能够耦合多颗LED面阵列扩展光源,实现更高光功率的均匀光斑,可以用于基于荧光反向测量装置中大功率光源等应用场景。

Genuine tripartite entanglement and geometric quantum discord in entangled three-body Unruh-DeWitt detector system

We studied the quantum correlations of a three-body Unruh-DeWitt detector system using genuine tripartite entanglement(GTE)and geometric quantum discord(GQD).We considered two representative three-body initial entangled states,namely the GHZ state and the W state.We demonstrated that the quantum correlations of the tripartite system are completely destroyed at the limit of infinite acceleration.In particular,it is found that the GQD of the two initial states exhibits“sudden change”behavior with increasing acceleration.It is shown that the quantum correlations of the W state are more sensitive than those of the GHZ state under the effect of Unruh thermal noise.The GQD is a more robust quantum resource than the GTE,and we can achieve robustness in discord-type quantum correlations by selecting the smaller energy gap in the detector.These findings provide guidance for selecting appropriate quantum states and resources for quantum information processing tasks in a relativistic setting.

道岔区敷设橡胶弹簧浮置板轨道的动力仿真分析

道岔区剧烈的轮轨冲击引起的振动超标问题十分突出。由于良好的弹性和阻尼特性,橡胶弹簧能够有效地起到隔振作用,且与钢弹簧相比造价更低,因此在道岔区敷设橡胶弹簧浮置板轨道为解决振动超标问题提供了有效途径。为探明道岔区敷设橡胶弹簧浮置板轨道的可行性,基于车辆-轨道耦合动力学理论和有限元分析理论,建立车辆-道岔-浮置板刚柔耦合模型和环境振动计算模型。与既有研究相比,不仅分析了地铁列车直/侧逆向通过9号道岔时的安全性指标、平稳性指标和轨道结构形位变化指标,而且计算了在9号道岔区敷设橡胶弹簧浮置板轨道的减振效果。经检算,可得出以下结论:当地铁列车直/侧逆向通过敷设橡胶弹簧浮置板的9号道岔区时,轮轨垂、横向力和脱轨系数的最大值分别为166,30 kN和0.4,均在相关技术标准允许的范围内,能够确保列车的安全运营;列车直/侧逆向通过道岔时的车体垂、横向加速度和Sperling指标计算结果最大值分别为0.14,0.64 m/s^(2)和2.58 m/s^(2),满足列车平稳运行要求,在9号道岔区敷设橡胶弹簧浮置板对列车乘坐的舒适性影响不大;列车直/逆向通过道岔时的钢轨位移最大值为3.78 mm,未超过相关技术标准要求;在9号道岔区敷设橡胶弹簧浮置板减振效果达到18 dB,能够满足高减振需求。以上成果可为在道岔区敷设橡胶弹簧浮置板的相关工程及研究提供理论指导。

Algorithmic approach to discrete fracture network flow modeling in consideration of realistic connections in large-scale fracture networks

Analyzing rock mass seepage using the discrete fracture network(DFN)flow model poses challenges when dealing with complex fracture networks.This paper presents a novel DFN flow model that incorporates the actual connections of large-scale fractures.Notably,this model efficiently manages over 20,000 fractures without necessitating adjustments to the DFN geometry.All geometric analyses,such as identifying connected fractures,dividing the two-dimensional domain into closed loops,triangulating arbitrary loops,and refining triangular elements,are fully automated.The analysis processes are comprehensively introduced,and core algorithms,along with their pseudo-codes,are outlined and explained to assist readers in their programming endeavors.The accuracy of geometric analyses is validated through topological graphs representing the connection relationships between fractures.In practical application,the proposed model is employed to assess the water-sealing effectiveness of an underground storage cavern project.The analysis results indicate that the existing design scheme can effectively prevent the stored oil from leaking in the presence of both dense and sparse fractures.Furthermore,following extensive modification and optimization,the scale and precision of model computation suggest that the proposed model and developed codes can meet the requirements of engineering applications.

薄壁量子化方法进展

微纳加工技术的快速发展实现了具有非平庸几何结构的低维材料与结构的制备,使得受几何性质影响的有效动力学问题受到关注。作为研究低维弯曲系统中量子力学的有效方法,薄壁量子化方法,它给出的几何势和几何动量也得到实验的证实。本文将回顾薄壁量子化方法,简述其基本计算框架,明确给出几何量子效应是来自于微分同胚变换和局域标架间的旋转变换。这对于理解引力规范场,演生规范场很有帮助,对理解人工规范场所隐含的几何结构也很有帮助。在特定的量子体系中,几何量子效应可表现为共振隧穿、量子阻塞、量子霍尔效应、量子霍尔黏性、量子自旋霍尔效应和单极磁场等,这些结果从不同角度展示了几何与新奇的物理现象之间的联系。