C70X2(X=H,F, Cl)的稳定性和电子光谱

用INDO方法研究C70H2四种异构体的稳定性, 表明其最稳定异构体为1, 9-C70H2和7, 8-C70H2, 两者能量差为16.3KJ.mol^-^1, 与实验值及ab initio计算值接近; 光谱计算表明, 其特征吸收峰与实验值一致。在此基础上预测C70F2和C70Cl2的稳定性和电子光谱, 表明C70F2四种异构体的稳定性顺序与C70H2一致, 而C70Cl2则以21, 42-异构体最为稳定。二者的电子光谱与C70H2极其相似只是在500nm以上有细微差别。     

微乳液的热力学性质 I: 芳烃类的侧链链长对微乳液热力学函数影响

本文研究以非离子型表面活性剂-正辛醇-水-芳烃类所组成的微乳液, 探讨醇从油相转移到界面相时的自由能变化, 以及温度对自由能的影响。计算出熵和焓的变化, 发现在实验范围内, 上述热力学函数的对数值与芳烃侧链的碳原子数(n)呈线性关系。这些关系式对微乳液的构成和稳定性的讨论是重要的, 还对几种芳烃异构体所构成的微乳液的热力学函数进行了实验和讨论。     

抗坏血酸和尿酸在甘氨酸-壳聚糖修饰玻碳电极上的电化学行为及测定

制备了甘氨酸-壳聚糖复合膜修饰玻碳电极(Gly-CTS/GCE),研究了抗坏血酸(AA)和尿酸(UA)在该修饰电极上的电化学行为。结果表明在pH=5.59的磷酸盐缓冲溶液中,AA、UA在Gly-CTS/GCE上均产生灵敏的不可逆氧化峰,其峰电流与浓度在一定范围内呈良好的线性关系。对AA和UA混合溶液平行测定7次,相对标准偏差分别为4.6%、2.9%,表明该电极重现性和稳定性良好。AA、UA在Gly-CTS/GCE电极上的氧化峰峰电位相差340mV,据此可实现对二者的同时检测,并可应用于实际样品测定。     

Malliavin calculus for regularity structures: The case of gPAM

Malliavin calculus is implemented in the context of Hairer (2014) [16]. This involves some constructions of independent interest, notably an extension of the structure which accommodates a robust, and purely deterministic, translation operator, in $L^2$-directions, between “models”. In the concrete context of the generalized parabolic Anderson model in 2D – one of the singular SPDEs discussed in the afore-mentioned article – we establish existence of a density at positive times.     

氢原子在镍台阶面上吸附、振动和表面扩散行为的理论研究

本文用对势方法研究了氢原子在Ni(510)台阶面上的吸附和振动, 计算结果与实验符合得很好。并考察了氢原子在Ni(997)台阶面上的吸附和扩散, 结果表明,台阶对下台面上扩散的氢原子开成捕获势阱, 对上台面扩散的氢原子形成反射势,这也很好地支持了实验结果。     

The Brownian Castle

We introduce a 1+1-dimensional temperature-dependent model such that the classical ballistic deposition model is recovered as its zero-temperature limit. Its ∞-temperature version, which we refer to as the 0-Ballistic Deposition (0-BD) model, is a randomly evolving interface which, surprisingly enough, does not belong to either the Edwards–Wilkinson (EW) or the Kardar–Parisi–Zhang (KPZ) universality class. We show that 0-BD has a scaling limit, a new stochastic process that we call Brownian Castle (BC) which, although it is “free”, is distinct from EW and, like any other renormalisation fixed point, is scale-invariant, in this case under the 1:1:2 scaling (as opposed to 1:2:3 for KPZ and 1:2:4 for EW). In the present article, we not only derive its finite-dimensional distributions, but also provide a “global” construction of the Brownian Castle which has the advantage of highlighting the fact that it admits backward characteristics given by the (backward) Brownian Web (see [37, 16]). Among others, this characterisation enables us to establish fine pathwise properties of BC and to relate these to special points of the Web. We prove that the Brownian Castle is a (strong) Markov and Feller process on a suitable space of càdlàg functions and determine its long-time behaviour. Finally, we give a glimpse to its universality by proving the convergence of 0-BD to BC in a rather strong sense. © 2022 The Authors. Communications on Pure and Applied Mathematics published by Wiley Periodicals LLC.     

Closed-form solutions for stepped Timoshenko beams with internal singularities and along-axis external supports

The Timoshenko beam model in presence of internal singularities causing deflection and rotation discontinuities and resting on external concentrated supports along the span is studied in a static context. The internal singularities are modelled as concentrated reductions in the flexural and the shear stiffness by making use of the distribution theory. Along-axis supports are treated as unknown concentrated loads and moments. An exact integration procedure of the proposed model, not requiring continuity conditions at all, is presented. Closed-form solutions are provided for both cases of homogeneous and stepped Timoshenko beams. The so-called static Green’s functions are also obtained by the proposed procedure and their explicit expressions are provided.     

Solitary waves in the gulf of quarnaro revealed by LANDSAT thematic mapper

Summary The propagation of solitary wave trains in the Adriatic Sea is studied by means of LANDSAT Thematic-Mapper images. The baroclinic Rossby radius of deformation has been estimated from the width of a baroclinic current observed along the coast of Croatia using AVHRR data. The phase speed of the linear internal waves has been consequently estimated and the compatibility of the Kortweg-de Vries equations with experimental data has been tested. Satellite-derived wave parameters are in good agreement with a plane-bottom, shallow-water solitary-wave model.