石英晶体板非线性高频振动的拓展伽辽金法分析

针对考虑几何和材料非线性的石英晶体板厚度剪切振动和弯曲振动的方程组,利用扩展伽辽金法对该方程组进行转化和求解,分别获得了强烈耦合的厚度剪切振动模态和弯曲振动模态的频率响应关系,绘制了不同振幅比和不同驱动电压影响下的频率响应曲线图。数值计算结果表明可以选取石英晶片的最佳长厚比尺寸来避免两种模态的强烈耦合。驱动电压的变化将引起石英晶体谐振器厚度剪切振动频率的明显改变,必须将振动频率的漂移值控制在常用压电声波器件的允许值之内。扩展伽辽金法对石英晶体板非线性振动方程组的求解为非线性有限元分析和偏场效应分析奠定了基础。     

Semiconvergence analysis of the randomized row iterative method and its extended variants

The row iterative method is popular in solving the large‐scale ill‐posed problems due to its simplicity and efficiency. In this work we consider the randomized row iterative (RRI) method to tackle this issue. First, we present the semiconvergence analysis of RRI method for the overdetermined and inconsistent system, and derive upper bounds for the noise error propagation in the iteration vectors. To achieve a least squares solution, we then propose an extended version of the RRI (ERRI) method, which in fact can converge in expectation to the solution of the overdetermined or underdetermined, consistent or inconsistent systems. Finally, some numerical examples are given to demonstrate the convergence behaviors of the RRI and ERRI methods for these types of linear system.     

Words that almost commute

The Hamming distance $\mathrm{ham}(u,v)$ between two equal-length words u, v is the number of positions where u and v differ. The words u and v are said to be conjugates if there exist non-empty words $x,y$ such that $u=xy$ and $v=yx$. The smallest value $\mathrm{ham}(xy,yx)$ can take on is 0, when x and y commute. But, interestingly, the next smallest value $\mathrm{ham}(xy,yx)$ can take on is 2 and not 1. In this paper, we consider conjugates $u=xy$ and $v=yx$ where $\mathrm{ham}(xy,yx)=2$. More specifically, we provide an efficient formula to count the number $h(n)$ of length-n words $u=xy$ over a k-letter alphabet that have a conjugate $v=yx$ such that $\mathrm{ham}(xy,yx)=2$. We also provide efficient formulae for other quantities closely related to $h(n)$. Finally, we show that $h(n)$ grows erratically: cubically for n prime, but exponentially for n even.     

Invariant sets and Lyapunov pairs for differential inclusions with maximal monotone operators

We give different conditions for the invariance of closed sets with respect to differential inclusions governed by a maximal monotone operator defined on Hilbert spaces, which is subject to a Lipschitz continuous perturbation depending on the state. These sets are not necessarily weakly closed as in [3], [4], while the invariance criteria are still written by using only the data of the system. So, no need to the explicit knowledge of neither the solution of this differential inclusion, nor the semi-group generated by the maximal monotone operator. These invariant/viability results are next applied to derive explicit criteria for a-Lyapunov pairs of lower semi-continuous (not necessarily weakly-lsc) functions associated to these differential inclusions. The lack of differentiability of the candidate Lyapunov functions and the consideration of general invariant sets (possibly not convex or smooth) are carried out by using techniques from nonsmooth analysis.     

Reversible Activation of Water by an Air- and Moisture-Stable Frustrated Rhodium Nitrogen Lewis Pair

[Cp*Rh(κ³N,N′,P- L )][SbF₆] (Cp*=C₅Me₅), bearing a guanidine-derived phosphano ligand L , behaves as a “dormant” frustrated Lewis pair and activates H₂ and H₂O in a reversible manner. When D₂O is employed, a facile H/D exchange at the Cp* ring takes place through sequential C(sp³)−H bond activation.     

Terphen[n]arenes and Quaterphen[n]arenes (n=3–6): One‐Pot Synthesis,Self‐Assembly into Supramolecular Gels,and Iodine Capture

Herein, two new classes of macrocyclic compounds, terphen[n]arenes (TPns) (n=3–6) and quaterphen[n]arenes (QPns) (n=3–6), were designed and synthesized by a one‐step condensation reaction in relatively high yields. They comprise 2,2′′‐dimethoxy terphenyl and 2,2′′′‐dimethoxy quaterphenyl monomers, respectively, linked by methylene bridges. Given their long and rigid monomers, TPns and QPns have much larger cavities and better self‐assembly properties than classic macrocycles. More interestingly, the cyclic pentamers and hexamers TP5, TP6, QP5, and QP6 formed supramolecular organogels, which were composed of interwoven fibers, nanosheets, or entangled macropore networks formed by multiple face‐to‐face and edge‐to‐face π???π stacking interactions. The xerogel materials effectively captured volatile iodine, not only in aqueous media but also in the gaseous state, and could be recycled multiple times without obvious loss in performance.     

Exact Solutions to the Quantum Rabi-Stark Model Within Tunable Coherent States

The quantum Rabi-Stark model, where the linear dipole coupling and the nonlinear Stark-like coupling is present on an equal footing, is studied within the tunable extended coherent states. The eigenvalues and eigenstates are therefore obtained exactly. Surprisingly, the entanglement entropy in the ground-state is found to jump suddenly with the coupling strength. The first-order quantum phase transition can be detected by level crossing of the ground state and the first excited state, which is however lacking in the original linear quantum Rabi model. Performing the first-order approximation in the present theory, we can derive closed-form analytical results for the ground-state. Interestingly, it agrees well with the exact solutions up to the ultra-strong coupling regime in a wide range of model parameters. The spectral collapses when the absolute value of the nonlinear coupling strength approaches to twice the cavity frequency is observed with the help of new solutions in the limits.     

Frustrated Lewis Pair Chemistry Enables N2 Borylation by Formal 1,3-Addition of a B−H Bond in the Coordination Sphere of Tungsten

The first example of a formal 1,3-B−H bond addition across the M−N≡N unit of an end-on dinitrogen complex has been achieved. The use of Piers’ borane HB(C₆F₅)₂ was essential to observe this reactivity and it plays a triple role in this transformation: 1) electrophilic N₂-borylation agent, 2) Lewis acid in a frustrated Lewis pair-type B−H bond activation, and 3) hydride shuttle to the metal center. This chemistry is supported by NMR spectroscopy and solid-state characterization of products and intermediates. The combination of chelate effect and strong σ donation in the diphosphine ligand 1,2-bis(diethylphosphino)ethane was mandatory to avoid phosphine dissociation that otherwise led to complexes where borylation of N₂ occurred without hydride transfer.     

The coupled-cluster formalism – a mathematical perspective

ABSTRACT

The Coupled-Cluster (CC) theory is one of the most successful high precision methods used to solve the stationary Schrödinger equation. In this article, we address the mathematical foundation of this theory with focus on the advances made in the past decade. Rather than solely relying on spectral gap assumptions (non-degeneracy of the ground state), we highlight the importance of coercivity assumptions – Gårding type inequalities – for the local uniqueness of the CC solution. Based on local strong monotonicity, different sufficient conditions for a local unique solution are suggested. One of the criteria assumes the relative smallness of the total cluster amplitudes (after possibly removing the single amplitudes) compared to the Gårding constants. In the extended CC theory the Lagrange multipliers are wave function parameters and, by means of the bivariational principle, we here derive a connection between the exact cluster amplitudes and the Lagrange multipliers. This relation might prove useful when determining the quality of a CC solution. Furthermore, the use of an Aubin–Nitsche duality type method in different CC approaches is discussed and contrasted with the bivariational principle.