Relevance between the Chemical Structure Modifications and Physicochemical Descriptors of Chemical Reactivity for Series of Nitroxide Radicals

This work presents an experimental and theoretical study to address the chemical reactivity of series of nitroxide radicals. For that purpose two physicochemical properties: the half-wave potential and the hyperfine coupling constants of the nitrogen nuclei, were analyzed. Experimental values are compared with electronic structure calculations at the BHandHLYP/6-311++G(2d,2p) level. E_1/2 values were in good agreement with the adiabatic ionization potential when including the solvent effects by the Cramer and Truhlar Solvation Model. Preeliminar experimental electron spin deslocalization studies suggest that structural hindrance plays an important role in their deslocatization mechanism.     

Chain elastic modulus of polyethylene: A spectroscopically determined force field (SDFF) study

Our SDFF for linear saturated hydrocarbon chains has been used to calculate the chain modulus of isolated and crystalline chains of n-alkanes of varying lengths. This has been done for static deformations and for the dynamic deformation in the longitudinal acoustic mode (LAM). Extrapolation to infinite chain length gives a common value of the room-temperature crystal modulus of 303 GPa (also obtained in an infinite chain calculation). Experimental Raman LAM measurements, corrected for chain-end interactions, give a modulus of 305 GPa, in excellent agreement. Problems with the experimental values obtained by inelastic neutron scattering and x-ray diffraction are discussed. © 1996 John Wiley & Sons, Inc.     

显微动态图像分析技术及其在生物物理中的应用

介绍了一种可实时监测细胞生命活动的显微动态图像分析技术。该技术把显微光学成像技术、数字处理技术和动态图像分析技术结合为一体,可实现对活细胞的结构功能、生长过程和环境变化的影响等进行非侵入性连续监测。通过在细胞膜弹性模量测量中的应用表明,该技术不仅原理可靠,实现容易,应用方便,而且检测速度快,测量精度高,稳定性能好。此项技术可望在生物物理学的实验研究中获得广泛的应用。     

理想弹塑性固体Riemann问题的解结构与初值条件

针对理想弹塑性固体材料的一维Riemann问题,在不考虑真空的情况下,讨论其所有可能存在的解结构,给出每一种解结构下对应的初值条件且证明该系列初值条件的完备性,即任意给定的物理量初值均有且只有一种解结构与之对应.基于该理论,在设计精确或近似理想弹塑性Riemann问题求解器时,可以依据初值条件对任意物理量初值直接判断其对应的解结构,从而提高求解器的精度和效率.数值试验验证了该系列初值条件的正确性和有效性.     

Two-dimensional magneto-thermoelastic interactions in a micropolar functionally graded solid

Abstract

The present work is concerned with the 2D deformation in a nonhomogeneous, isotropic, micropolar, magneto-thermoelastic medium in the context of Lord-Shulman theory as a result of an inclined load. The inclined load is supposed to be a linear combination of normal load and tangential load. Material properties are assumed to be graded in x-direction. Normal mode technique is proposed to obtain the analytical expressions for the temperature field, displacement components, and stresses. These are also calculated numerically and depicted graphically to observe the variations of the considered physical variables.

Communicated by Seonho Cho.     

First-principles prediction of crystal structure and physical properties of ScB3

The crystal structure of ScB₃ is seeked by combining the developed particle swarm optimisation algorithm for crystal structure prediction with first-principles calculations. A new monoclinic phase with the C2/m symmetry is predicted successfully, which is energetically more superior to the early reported R-3m-, P2₁/m-, P6₃/mmc-, P-6m2-, Pnma-, and Pm-3m-type structures in the pressure range from 0 to 100?GPa. The obtained elastic constants and phonon dispersion curve reveal that the C2/m-ScB₃ is mechanically and dynamically stable. The predicted large bulk module, high shear modulus, small Poisson’s ratio as well as the considerable hardness indicate that the C2/m-ScB₃ has outstanding mechanical property. Meanwhile, the dependences of the bulk modulus and Young’s modulus of ScB₃ on the crystal orientation are investigated theoretically. Through applying the strain–stress method, the ideal tensile and shear strengths along different crystal directions are also estimated, and the obtained results confirm that the shear mode dominates the failure mode in the C2/m-ScB₃ structure and it is intrinsically a hard material. The electronic structure calculation and chemical bonding analysis illustrate that the strong covalent B-B and Sc-B bonds are responsible for its structural stability and high hardness.     

New measurements and reanalysis of 14N elastic scattering on 10B target

The angular distributions of elastic scattering of ¹⁴N ions on ¹⁰B targets have been measured at incident beam energies of 21.0 and 24.5 MeV. Angular distributions at higher energies 38–94.0 MeV (previously measured) were also included in the analysis. All data were analyzed within the framework of the optical model and the distorted waves Born approximation method. The observed rise in cross sections at large angles was interpreted as a possible contribution of the α-cluster exchange mechanism. Spectroscopic amplitudes SA₂ and SA₄ for the configuration ¹⁴N→ ¹⁰B +α were extracted. Their average values are 0.58±0.10 and 0.81±0.12 for SA₂ and SA₄, respectively, suggesting that the exchange mechanism is a major component of the elastic scattering for this system. The energy dependence of the depths for the real and imaginary potentials was found.     

CEV模型和B-P混合驱动模型下亚式期权Monte Carlo模拟

对亚式期权在CEV模型和B-P混合驱动模型限制下进行Monte Carlo模拟定价,建立风险中性测度,模拟出不同弹性因子值下资产价格路径.为了得出优于标准的Monte Carlo模拟,应用方差缩减技术来提高期权定价的精度.最后对亚式期权定价模型进行数值案例分析,得出弹性因子取值、时间步长、模拟次数与期权价值变化的关系.     

Safety margin criterion of nonlinear unbalance elastic axle system

IntroductionAtpresentanewanddevelopingsubject—chaoticdynamicsstartsabroadprospectforanalysisofnonlinearsystem[1～ 5 ].Largerotatingmachineryisatypicalnonlinearnon_autonomoussystem .Thesaferunofrotorsystemisofgreatsignificancetosociallifeandeconomicdevelopment.Thestabilityisthekeytosafeoperation .Thesafestabilityanalysisandcontrolforlargesystemisnotonlyamajorbasicresearchbutalsoisveryimportanttosolvethesafeproblemsinlifeandproduction[6 ,7].Soar,althoughmanymathematicians,mechanistsandengineer…