二氧化钚分子的多体展式势能函数

从导出基态PuO2分子的电子状态X5Σ g正确地判断其离解极限出发,采用MP2方法,应用相对论有效原子实模型(RECP)优化出PuO2(X5Σ g)分子稳定构型为线性OPuO(D∞h),其平衡核间距Re=0.18004nm.同时也计算出振动频率,并优化出存在亚稳态的Pu-O-O(C∞v)构型.使用多体项展式理论方法,导出了基态PuO2分子的分析势能函数.该势能表面准确地再现了O-Pu-O(D∞h)平衡结构和亚稳态的Pu-O-O(C∞v)构型.然后根据势能函数等值图讨论了O(3Pg) PuO反应的势能面静态特征.     

氢火焰离子化检测器校正因子的理论计算

根据FID检测器工作原理，提出一种相对质量校正因子的计算公式。由该公式出发可以推导出相对摩尔响应值（RMR）与化合物碳数的线性关系式和有效碳数的近似计算方法，并赋予原计算方法中的参数以明确的含意，解决了参数之间的矛盾。新方法的计算值同文献数据吻合良好。     

乙肝解毒胶囊中5种有效成分的胶束电动色谱-质谱联用法测定

建立了胶束电动色谱-电喷雾电离质谱联用法同时测定乙肝解毒胶囊中的小檗碱、巴马汀、药根碱、黄芩苷、大黄素5种药效成分含量的分析方法。使用未涂层石英毛细管,以30 mmol/L月桂酸-70mmol/L氨水溶液(含20%乙腈,pH10.0)为缓冲液、70%异丙醇(含3 mmol/L乙酸)为鞘液。结果表明,在18 min内各组分达到基线分离,小檗碱、巴马汀、药根碱、黄芩苷、大黄素的线性范围分别为0.02~20、0.05~15、0.05~10、2.0~500、0.02~15 mg/L,检出限分别为0.007、0.02、0.02、0.60、0.006 mg/L。样品的加标回收率为95%~104%,相对标准偏差均小于3.9%。方法简便、快速、灵敏,已成功用于乙肝解毒胶囊中小檗碱、巴马汀、药根碱、黄芩苷、大黄素含量的同时测定。     

固定接触界面法向静弹性刚度

基于Hertz接触理论推导了两个微凸体之间互相作用的法向接触静弹性刚度.根据修正后的一个微接触点的平截面积尺寸分布,给出了界面的总法向接触静弹性条件刚度、总条件载荷的解析解.将法向静弹性刚度的解析解嵌入到有限元软件中,获得整机的理论模态.通过实验对解析解进行了定量验证.以机床结合部为研究对象,在理论振型与实验振型一致的...     

固定接触界面切向静弹性刚度问题研究

根据两球体单峰同时受法向、切向载荷时微滑切向应力的分布以及MB模型,给出了界面的总切向接触静弹性条件刚度、总条件法向载荷的解析解。将切向接触静弹性条件刚度的解析解嵌入到有限元软件中,获得了整机的理论模态。以一款八四七厂华中工学院XHK5140型自动换刀计算机数控立式镗铣床上的结合部为研究对象,通过实验对解析解进行了定量验证。研究结果表明：在理论振型与实验振型一致的条件下,界面模型的相对误差在-19．2％～16．8％之间。     

SURFACE STRESS EFFECT IN MECHANICS OF NANOSTRUCTURED MATERIALS

This review article summarizes the advances in the surface stress effect in mechanics of nanostructured elements,including nanoparticles,nanowires,nanobeams,and nanofilms,and heterogeneous materials containing nanoscale inhomogeneities.It begins with the fundamental formulations of surface mechanics of solids,including the definition of surface stress as a surface excess quantity,the surface constitutive relations,and the surface equilibrium equations.Then,it depicts some theoretical and experimental studies of the mechanical properties of nanostructured elements,as well as the static and dynamic behaviour of cantilever sensors caused by the surface stress which is influenced by adsorption.Afterwards,the article gives a summary of the analytical elasto-static and dynamic solutions of a single as well as multiple inhomogeneities embedded in a matrix with the interface stress prevailing.The effect of surface elasticity on the diffraction of elastic waves is elucidated.Due to the difficulties in the analytical solution of inhomogeneities of complex shapes and configurations,finite element approaches have been developed for heterogeneous materials with the surface stress.Surface stress and surface energy are inherently related to crack propagation and the stress field in the vicinity of crack tips.The solutions of crack problems taking into account surface stress effects are also included.Predicting the effective elastic and plastic responses of heterogeneous materials while taking into account surface and interface stresses has received much attention.The advances in this topic are inevitably delineated.Mechanics of rough surfaces appears to deserve special attention due to its theoretical and practical implications.Some most recent work is reviewed.Finally,some challenges are pointed out.They include the characterization of surfaces and interfaces of real nanomaterials,experimental measurements and verification of mechanical parameters of complex surfaces,and the effects of the physical and chemical processes on the surface properties,etc.     

非稳态弹流润滑状态下滚动体-滚道摩擦副的动力特性研究

针对滚动体-滚道摩擦副,建立了点接触非稳态弹流润滑数学模型,利用FFT技术和半解析算法数值求解了接触体在自由振动过程中油膜压力和膜厚的变化,同时结合有阻尼系统的自由振动模型,给出了预测点接触摩擦副动力特性的方法,在较宽的载荷和速度范围内分析了接触副的等效刚度系数和阻尼系数的变化.结果表明：根据接触副的实际工作载荷和速度所确定的无量纲自然频率来进行非稳态弹流的计算所得到的膜厚结果更接近实验值;在接触体的振动过程中油膜的压力和厚度在平衡位置附近上下波动,且由于润滑油膜的作用接触体的振动幅值逐渐减小;刚度系数随载荷参数的增加而增加,随速度参数的增加而减小,而阻尼系数的变化规律较复杂,在不同的载荷和速度范围内呈现出不同的变化趋势.     

山地输电线动刚度计算及模态分析

为了揭示地形变化对连续档输电线动态特性的影响，本文提出了基于任意高差角的动刚度理论．首先将单档导线视为连续档导线的子结构，构建了两悬挂点不等高的单档导线振动方程，并在该理论方程中引入了二次项，能够考虑重力沿弦向分量的影响，推导出绝缘子串绕其悬挂点转动的动刚度计算方法，通过动刚度理论研究连续档导线横向振动模态和频率，并应用有限元软件ABAQUS 验证理论模态和频率公式的准确性．所得结果表明，动刚度的计算方法具有较高的精度，理论模态与有限元输出结果吻合较好，同时获得的频率和模态可为山地高压输电线路防舞技术的研究提供依据．     

Cascaded quasi-zero stiffness nonlinear low-frequency vibration isolator inspired by human spine

Human motion induced vibration has very low frequency, ranging from 2 Hz to 5 Hz. Traditional vibration isolators are not effective in low-frequency regions due to the trade-off between the low natural frequency and the high load capacity. In this paper, inspired by the human spine, we propose a novel bionic human spine inspired quasi-zero stiffness (QZS) vibration isolator which consists of a cascaded multi-stage negative stiffness structure. The force and stiffness characteristics are investigated first, the dynamic model is established by Newton’s second law, and the isolation performance is analyzed by the harmonic balance method (HBM). Numerical results show that the bionic isolator can obtain better low-frequency isolation performance by increasing the number of negative structure stages, and reducing the damping values and external force values can obtain better low-frequency isolation performance. In comparison with the linear structure and existing traditional QZS isolator, the bionic spine isolator has better vibration isolation performance in low-frequency regions. It paves the way for the design of bionic ultra-low-frequency isolators and shows potential in many engineering applications.

     

Electron Transport in Configurational Model of Ferromagnetic Fulleride with Triple Orbital Degeneracy

Abstract

Phenomenon of ferromagnetic ordering was for a long time associated exclusively with transition metal and rare-earth compounds. Nowadays this view is challenged by growing evidence that in molecular carbon-based systems the ferromagnetic alignment of spins can be observed as well. We have developed a microscopical model of a fulleride electronic subsystem taking into account triple orbital degeneracy of energy states within the configurational-operator approach. Using the Green function method the energy spectrum of the model has been calculated. Conditions for the ferromagnetic state stabilization have been determined. Static electrical conductivity and effective masses of current carriers in the system with orbitally degenerated energy band have been obtained. In the ground state and for low temperatures at different forms of unperturbed density of electronic states the concentration dependences of transport characteristics for less-then-half-filled lower quasiparticle subband have been calculated.