Fe3Al有序度截留后的力学性能与价电子结构的关系

利用固体与分子经验电子理论(EET)对Fe3Al的两种晶体结构:03和B2的滑移能进行了计算,结果表明B2结构在室温下具有较低的滑移能,在较小的能量作用下,B2结构优先滑移,这预示B2结构具有较好的塑性.据此对D03结构的Fe3Al进行有序度截留(淬火处理)研究.截留后B2结构的Fe3Al材料的加工性能发生了显著变化,抗压强度和硬度下降.本文对比研究了D03和B2型Fe3Al价电子结构及其力学性能的关系,发现价电子结构与力学性能之间存在很好的相关性.     

与非平衡问题相关的尺度效应:场与微粒

纳米技术的出现,使我们有必要更好地了解,在原子水平上材料微结构的变化是如何影响和控制着材料的宏观性能.这一挑战涉及到许多以前不曾考虑和不曾了解的现象.其中,位错理论的基础现在知道是有问题的.宏观尺度下采用的简化假设,也许不能用于微观和纳米尺度.尺度效应的含义,涉及到物理系统的非均质和非平衡特性.宏观尺度下的均匀与平衡特性,在材料的物理尺度减少到微米量级时就不再保持了.这些基本观点不能够为了方便而随意到处使用,因为这会改变预测的结果.更令人不满的是在建立物理模型时缺乏一致性.由此产生的问题是在确定制造过程中的有关参数时无能为力,导致由于成本过高而不切实际的终端产品.先进的复合材料和陶瓷材料就存在这样的问题.本文将要讨论的是在原子尺度与连续介质尺度下应用理论模型时存在的潜在问题,而不是去揭示自然的真相.主要讨论微粒,均匀连续介质或者两者的结合.尺度效应问题当前的发展趋势,趋向于在有或者没有时间效应的情况下寻找材料微结构的不同特征尺寸.从原子模拟模型中将了解到许多情况,原子模拟计算将揭示计算结果如何随着边界条件和尺度变化而不同.量子力学,连续介质力学和宇宙模型证明,没有普遍适用的方法.当前的主要兴趣也许是针对多尺度物理问题在技术上建立更高的精度,以得到一个更好的表达结果.      

关于微分包含的周期解及其应用

研究了一类发展包含的周期问题,其结果应用于建立一类半线性微分包含周期解的存在性定理．给出了半线性微分包含端点解的存在性定理和强松驰定理,并且应用于周期反馈控制系统．     

Contribution of Disclination Lines to Free Energy of Liquid Crystals in Single-Elastic Constant Approximation

In the light of C-mapping method and topological current theory, the contribution of disclination lines to free energy density of liquid crystals is studied in the single-elastic constant approximation. It is pointed out that the total free energy density can be divided into two parts. One is the usual distorted energy density of director field around the disclination lines. The other is the free energy density of disclination lines themselves, which is shown to be centralized at the disclination lines and to be topologically quantized in the unit of kn/2. The topological quantum numbers are determined by the Hopf indices and Brouwer degrees of the director l~eld at the disclination lines, i.e. the disclination strengths. From the Lagrange‘s method of multipliers, the equilibrium equation and the molecular field ofliquid crystals are also obtained. The physical meaning of the Lagrangian multiplier is just the distorted energy density.     

Spectral Energy Density in a Kerr Nonlinear Blackbody

In a Kerr nonlinear blackbody, bare photons with opposite wave vectors and helicities are bound into pairsand unpaired photons are transformed into a new kind of quasiparticle, the nonpolariton. The nonpolariton system constitutes free thermal radiation in the blackbody. The present paper investigates the spectral energy density of the thermal radiation. It is found that the spectral energy density of a Kerr nonlinear blackbody is larger than that of a normal blackbody.     

HIRFL-CSRm内靶实验终端CsI(Tl)电磁量能器性能模拟

基于GEANT4模拟了HIRFL CSRm内靶实验终端的CsI(Tl)电磁量能器系统,给出了CsI电磁量能器的最佳设计参数及可能达到的性能.结果表明,设计的CsI(Tl)电磁量能器系统能够满足所研究的物理要求. Based on the GEANT4, the performance of the electromagnetic calorimeter (EMC) of the internal-target detector at HIRFL-CSRm is simulated. The simulation results show that 1.5%—3% of the energy resolution σ_E/E and 2° of the polar angular resolution σ_θ can be obtained. The invariant mass of the π~0 decay can be reconstructed well. The performance can meet the requirement of studying the proposed physics at HIRFL-CSRm.     

Basic properties of an rf SQUID involving two Josephson junctions connected in series

We have studied the basic characteristics of a radio frequency superconducting quantum interference device (rf SQUID) involving two Josephson junctions connected in series, the case for the widely used grain boundary junction (GBJ) rf SQUID. It is found that the SQUID properties are determined mainly by the weaker junction when the critical current of the weaker junction is much lower than that of the other junction. Otherwise, the effect of the other junction is not negligible. We also find that only when the hysteresis parameter β is less than 1-α, where α is the critical current ratio of the two junctions, will the SQUID operate in the nonhysteretic mode.     

A new energy source originating from extra dimensions

In this work the Einstein gravitational field equations and the Lichnerowicz boundary formalism in the extra dimensions are used to build up our black hole model from 6-dimensional space－time. From the internal stress－energy tensor the solutions with energy levels and semiclassical space-quantization are obtained, which combines with only one metric condition outside the defect. We show a new type of energy source, which originates from extra dimensions. A part of the energy source of quasi-stellar object (QSO) maybe come from extra dimensions in that way. The theoretical arithmetic upper limit is identical to that of the output energy of QSO.     

NHn(n=1～3)体系电子对内对间相关能的变化规律

众所周知,电子相关能问题是量子化学的瓶颈问题‘’‘．为了更深人地了解和认识电子相关能的轨道本质,建立P。St－HF理论校正模型,JS等”－”应用电子对内对间电子相关模式,指出国际著名量子     

用分子对接方法预测HIV-1整合酶与金精三羧酸抑制剂的相互作用

用分子对接方法(Docking)研究了HIV-1整合酶与其抑制剂金精三羧酸的结合过程.为弄清金属离子在结合中所起的作用,选择含有一个Mg+2或不含Mg+2的两种不同的整合酶受体分别与金精三羧酸对接.结果表明, Mg+2对稳定配体与受体的结合起了重要作用. 金精三羧酸配体与含有一个金属Mg+2的整合酶受体对接,最优结合自由能为-45.19 kJ/mol. 当Mg+2失去后,整合酶的活性中心构象将发生变化,使金精三羧酸抑制剂与整合酶的结合自由能(-24.35 kJ/mol)明显增加. 预测了未知的HIV-1整合酶与其抑制剂金精三羧酸的复合物结构, 并可对基于结构的抗HIV-1整合酶的药物设计提供重要信息.