Normal coordinate treatment of actinide(IV)-hexabromides

Molecular force field studies of hexabromo-thorates(IV) and-uranates(IV) have been carried out using four different force field models. Weighted least square adjustment has been used to fit the observed frequencies. Mean amplitudes of vibration have also been calculated at 0°K and 298°K. The trends of force constants and mean amplitudes have also been discussed.

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Normal-Koordinaten Berechnungen an Actiniden(IV)-hexabromiden

Zusammenfassung Es wurden für die Rechnungen an Hexabromo-thoraten(IV) und-uranaten(IV) vier verschiedene Modelle herangezogen. Die beobachteten Frequenzen wurden mittels gewichteter Kleinster-Fehlerquadrat-Methode angepaßt. Die Trends bei den Kraftkonstanten und den mittleren Amplituden der einzelnen Verbindungen werden diskutiert.

     

Partial molal volumes of ions in organic solvents from ultrasonic vibration potential and density measurements. III. Dimethylsulfoxide

The partial molal volumes of Li⁺, Na⁺, K⁺, Rb⁺, Cs⁺, Cl^–, Br^–, I^–, and NO ₃ ^- in DMSO at 25°C have been determined from ultrasonic vibration potential data and density data for solutions of uni-univalent electrolytes. Hepler's semiemprirical equation has been used to split ionic partial molal volumes into geometric and electrostrictive contributions. The results obtained in this work confirm the conclusion of our previous studies, namely, that the contribution of electrostriction is essentially determined by the properties of that layer of atoms, 0.3 to 0.4 nm thick, in contact with the ion and by the degree of steric hindrance of the poles of the dipole of the solvent molecule. On the other hand, the geometric contribution depends on the size of the solvent molecule and also on the arrangement of the solvent molecules about the ions. It is shown that the geometric contribution to the partial molal volume of ions is largely increased when ions cannot come close enough to the poles of the solvent-molecule dipole, owing to steric hindrance.     

Internal dynamics of the LaI3 molecule. II. Thermal average structure of the molecule and mean square vibration amplitudes

The structural parameters of the effective r _g configuration of the LaI₃ molecule were calculated using the DFT/B3LYP method. The difference between the calculated values of r _e (La-I) and r _g (La-I) is mostly due to the anharmonicity of the ν₁ and ν₂ vibrations and does not exceed the error in determining the distance r _g (La-I) in the electron diffraction experiment. Inclusion of the anharmonicity of the ν₂ and ν₄ deformation vibrations in calculations leads to decreased amplitudes l(I…I) and shrinking effect δ(I…I) compared to the respective values obtained in the harmonic approximation. The LaI₃ molecule proved to be more rigid than predicted by B3LYP calculations.     

颗粒毛细效应影响因素的离散元分析

颗粒毛细效应是指将一根细管插入填充有颗粒物质的容器中并对管施加竖直振动时颗粒在管内上升并最终达到一个稳定的高度的现象,该现象为颗粒物料的逆重力输运提供了一种潜在的技术途径.为探究颗粒毛细效应的影响因素,采用离散元方法,模拟再现了颗粒毛细效应过程,展示了不同管径下颗粒竖直方向速度演变特性,考察了不同容器宽度和振动条件下颗粒最终毛细上升高度随管径的演变规律.结果表明,在容器宽度与粒径比为40、管振幅与粒径比为14.33、管振动频率为12 Hz情况下,管径与粒径比D/d=3.33时,管内颗粒堵塞严重,使得颗粒上升缓慢,并造成颗粒柱中断; D/d=8.33时,起初毛细上升高度增加迅速,随后毛细上升高度的增大逐渐减缓,管内颗粒在管径方向几乎不存在速度梯度; D/d=15时,随着颗粒毛细上升高度的增大,管内颗粒柱分离为速度截然不同的两层,上层颗粒在管径方向几乎不存在速度梯度,而下层颗粒存在明显的速度梯度.研究还发现,在毛细效应能够发生的管径范围内,存在一个对应于颗粒最终毛细上升高度最大值的临界管径,当管径小于临界管径时,颗粒最终毛细上升高度随管径的增大而增大,当管径大于临界管径时,颗粒最终毛细上升...     

微织构超声振动铣削系统的研究

为了在金属切削过程中在7075铝合金表面形成稳定的微织构以提高其服役性能,提出一种微织构超声铣削加工工艺。为此,该文首先基于运动合成原理获得了刀尖的运动轨迹特征和工件表面的织构形貌特征。然后,基于等效电路原理和传输矩阵法建立了超声铣削系统的频率方程,并应用牛顿迭代法获得了准确的数值解,通过有限元软件对建立的超声振动系统分别进行模态分析和谐响应分析,获得了具有微织构特征的纵扭复合超声铣削系统。最后,对加工制造出的微织构纵扭复合超声铣削系统进行振动测试、切削力测试和加工测试,结果表明:工件表面形成的"鱼鳞网纹"微观织构能够改变其润湿性能。     

HPLC Enantioseparation of Rigid Chiral Probes with Central,Axial, Helical,and Planar Stereogenicity on an Amylose (3,5-Dimethylphenylcarbamate) Chiral Stationary Phase

The chiral resolving ability of the commercially available amylose (3,5-dimethylphenylcarbamate)-based chiral stationary phase (CSP) toward four chiral probes representative of four kinds of stereogenicity (central, axial, helical, and planar) was investigated. Besides chirality, the evident structural feature of selectands is an extremely limited conformational freedom. The chiral rigid analytes were analyzed by using pure short alcohols as mobile phases at different column temperatures. The enantioselectivity was found to be suitable for all compounds investigated. This evidence confirms that the use of the amylose-based CSP in HPLC is an effective strategy for obtaining the resolution of chiral compounds containing any kind of stereogenic element. In addition, the experimental retention and enantioselectivity behavior, as well as the established enantiomer elution order of the investigated chiral analytes, may be used as key information to track essential details on the enantiorecognition mechanism of the amylose-based chiral stationary phase.     

连体构架避雷针风振计算的简化方法

为简化构架避雷针风振时域计算从而有效降低计算耗时,以单跨和三跨构架避雷针结构为例,根据构架体系的结构特性和风振特点,提出一种简化计算方法,即对每个塔架单独建模并考虑结构刚度和质量系统的一致性和横梁荷载的等效加载,从而对每个塔架单独进行动力计算,并对这种简化方法的合理性进行了验证。研究发现,构架避雷针的频率较小,风振效应较为显著,但在各方向均以一阶振型为绝对主力;构架避雷针的塔架在平面外的荷载耦联效应极小,平面内也仅表现有位移均值的耦联效应:这两个结构特性也为风振简化计算提供了便利。对每个塔架的简化模型,通过在塔架与原横梁连接处设置弹簧和附加质量来实现对原结构一阶振型的等效,并通过影响线法将横梁分布风荷载等效为塔架的集中荷载。由此简化方法所得的结构风振静动力响应结果均与原始结构有良好一致性,并且计算效率得以显著提升。     

四角点简支双稳态层合板振动特性研究

双稳态层合板作为一种柔性可变体结构,为实现振动状态下的构型调控,将对其开展固有振动特性的研究.本文以四角点简支约束的矩形非对称铺设双稳态板作为研究对象,运用最小势能原理、一阶剪切变形理论、以及冯卡门几何非线性位移应变关系,得到双稳态板的两种稳态构型.首次给出了适合于四点简支的6参数构型函数与17参数构型函数,研究对比发现对于稳态构型采用17参数的构型函数结果相对更精确;对于应用线性位移应变关系的基于任一稳态构型下振动固有特性而言,这两种构型函数得到的结果基频相差2%,其它阶次频率相差也不大.随后采用6参数构型函数得到的稳态构型研究了几何尺寸、铺层数分别对两种稳态构型固有振动特性的影响.本研究对于进一步研究该类结构动态跳变机理具有重要意义.     

粘弹性地基上含孔隙的石墨烯增强功能梯度板的振动

为分析粘弹性地基上含孔隙的石墨烯增强功能梯度板的自由和强迫振动特性,基于三参数粘弹性地基模型及复合材料薄板理论,建立了粘弹性地基上含孔隙石墨烯增强功能梯度板的运动方程,用伽辽金法求解其固有频率和动力响应,并通过数值算例分析了粘弹性地基参数、孔隙率、孔隙类型及石墨烯纳米片分布模式、含量等因素对自由振动和动力响应的影响.结果表明,固有频率随着孔隙率的增大非单调变化,孔隙率对固有频率的影响随着地基参数、孔隙类型的不同而不同.另外,在三种孔隙类型中,上下表面层含有最少孔隙数量的板的动挠度最小,且其动挠度随着孔隙率的增大而微弱提高.     

舰载机拦阻钩索滑摆动载荷特性研究

针对舰载机钩偏着舰时拦阻钩沿拦阻索侧向滑摆运动,运用仿真与理论分析结合的方法,通过调整拦阻钩侧向动载荷的振动频率范围,具体研究了飞机机身动载荷特性。结果表明,在2 Hz, 10 Hz,20 Hz 等振动频率附近,机身会受到严重的载荷情况。结论可供机体结构刚度、钩头减摆等性能优化设计参考。