Chemical bonding in representative astrophysically relevant neutral,cation, and anion HCnH chains

Most existing studies assign a polyynic and cumulenic character of chemical bonding in carbon-based chains relying on values of the bond lengths. Building on our recent work, in this paper we add further evidence on the limitations of such an analysis and demonstrate the significant insight gained via natural bond analysis. Presently reported results include atomic charges, natural bond order and valence indices obtained from ab initio computations for representative members of the astrophysically relevant neutral and charged HC_2k/2k+1H chain family. They unravel a series of counter-intuitive aspects and/or help naive intuition in properly understanding microscopic processes, e.g., electron removal from or electron attachment to a neutral chain. Demonstrating that the Wiberg indices adequately quantify the chemical bonding structure of the HC_2k/2k+1H chains—while the often heavily advertised Mayer indices do not—represents an important message conveyed by the present study.     

Natural μ and Bμ in gauge mediation

We propose a natural solution to the μ problem in gauge mediation. It relies on the logarithmic dependence of the effective Kähler potential on the messenger threshold superfield X. Thus, μ and Bμ naturally arise at one and two loops, respectively. Moreover B has the same phase as the gaugino mass and the supersymmetric CP problem is solved as well.     

A Fourier transform for sheaves on real tori: Part II. Relative theory

If X is a symplectic family of Lagrangian tori, the dual family has a natural complex structure. We define, for any dimension of X, a Fourier transform which yields a bijective correspondence between local systems supported on Lagrangian submanifolds of X and holomorphic vector bundles supported on complex subvarieties of (suitable conditions being verified on both sides).     

Variational formulation of Chern–Simons theory for arbitrary Lie groups

We show that the Chern–Simons theory for a principal G-bundle P over a three-dimensional manifold, with G an arbitrary Lie group, can be formulated as a variational problem defined by local data on the bundle of connections C(P) of P. By means of the theory of variational problems defined by local data we prove that the Euler–Lagrange operator and the differential of the Poincaré–Cartan form can be intrinsically expressed in terms of the symplectic form and the curvature morphism of C(P). These facts and the theory of the global inverse problem of the Calculus of Variations allow us to prove that there is indeed a global Lagrangian density for these theories. We also prove that every infinitesimal automorphism of P produces in a natural way an infinitesimal symmetry of the variational problem defined by the Chern–Simons theory. We therefore conclude that the algebra of infinitesimal symmetries of these theories is infinite dimensional.     

Nonlinear aspects of the Cahn-Hilliard equation

This paper treats phase separation within the context of the phenomenological Cahn-Hilliard equation, c_t = · [M(c)(∂f/∂c - K²c)], where c is the concentration, M(c) is the mobility, and f(c) is homogeneou s free energy, which is assumed here to be a fourth degree polynomial. Natural boundary conditions are introduced. The full set of equilibrium solutions is specified. A comparison theorem for stability criteria which was postulated by Langer is proved here within the framework of the natural boundary conditions. Energy methods are used to define and estimate the limit of monotonic global stability. It is pointed out that within the parameter region where the uniform homogeneous state is the only equilibrium solution, there may still exist some internal “excitable” region in which the homogeneous solution possesses growing fluctuations. Furthermore a periodic instability is shown to exist in the metastable region in addition to the well-known nucleation instability.     

多孔介质方腔内混合对流格子Boltzmann模拟

采用格子Boltzmann方法,对多孔介质方腔内的混合对流现象进行研究.方腔内部中心有一发热圆,径宽比D/L=0.4,冷流体从方腔左下角入口流进,从方腔左上角出口流出,四周壁面绝热.在普朗特数Pr=0.71和格拉晓夫数Gr=1.4×10⁴时,分析理查德森数Ri和达西数Da对发热圆表面平均努赛尔数Nu的影响.结果表明：Ri数位于10^-3~10范围内,Nu随Ri的增大而减小.Da越大,Ri对Nu的影响越显著;Da数位于10^-5~10^-2范围内,强制对流占主导的情况下（Ri≤0.1）,Nu随着多孔介质的Da的增大而增大.自然对流占主导的情况下（Ri=10）,Nu对Da的变化不敏感.     

倾斜度及温度震荡频率对三维多孔介质方腔自然对流换热的影响

对三维多孔介质倾斜方腔内非稳态自然对流换热进行数值研究.腔体右壁面(X=1)保持恒温T₀,左壁面(X=0)基于温度T₀按正弦规律变化,其他所有壁面保持绝热.采用Brinkman扩展达西模型及SIMPLE算法模拟方腔内的流动.方腔沿y轴转动倾角α1的变化范围为0°~90°,沿x轴转动倾角α2的变化范围为0°~45°,无量纲温度震荡频率f的变化范围为5π~90π.详细研究倾角和温度震荡频率对三维方腔自然对流换热的影响.计算结果表明:当倾角α1=46°,α2=45°及温度震荡频率f=45π时,方腔内的换热最强.     

Wilson loops in the light of spin networks

If G is any finite product of compact orthogonal, unitary and symplectic matrix groups, then Wilson loops generate a dense subalgebra of continuous observables on the configuration space of lattice gauge theory with structure group G. If G is orthogonal, unitary or symplectic, then Wilson loops associated to the natural representation of G are enough.

This extends a result of Sengupta [Proc. Am. Math. Soc. 1221 (3) (1994) 897] and earlier work by Durhuus [Lett. Math. Phys. 4 (6) (1980) 515]. In particular, our approach includes the cases of even orthogonal and symplectic groups.     

A consistent next-to-leading-order QCD calculation of hadronic diffractive scattering

We calculate the order _s² and order _s³ QCD contributions to colour-singlet exchange in the leading log s approximation. We implement the resulting amplitude at the hadronic level and thus construct the QCD pomeron and odderon to this order of perturbation theory. We show that the structure of the hadronic form factors provides a natural mechanism through which the odderon gets suppressed at t = 0 whereas it dominates the elastic cross section at large t. We also demonstrate that the inclusion of nonperturbative effects through a modification of the gluon propagator accelerates greatly the convergence of the log s expansion, although not enough to provide agreement with the data.     

WZW–Poisson manifolds

We observe that a term of the WZW-type can be added to the Lagrangian of the Poisson σ-model in such a way that the algebra of the first class constraints remains closed. This leads to a natural generalization of the concept of Poisson geometry. The resulting “WZW–Poisson” manifold M is characterized by a bivector Π and by a closed three-form H such that 1/2[Π,Π]_Schouten=H,ΠΠΠ.     

Differential operators on a Riemann surface with projective structure

Let X be a Riemann surface equipped with a projective structure and a theta characteristic on X, or in other words, is a holomorphic line bundle equipped with a holomorphic isomorphism with the holomorphic cotangent bundle Ω_X. The complement of the zero section in the total space of the line bundle has a natural holomorphic symplectic structure, and using , this symplectic structure has a canonical quantization. Using this quantization, holomorphic differential operators on X are constructed. The main result is the construction of a canonical isomorphism

, n≥0, provided i[−2(k−1),0].     

Differential operators and immersions of a Riemann surface into a Grassmannian

We consider equivariant holomorphic immersions of a universal cover of a compact Riemann surface X into a Grassmannian satisfying a nondegeneracy condition. The equivariance condition says that there is a homomorphism ρ of the Galois group to that takes the natural action of the Galois group on to the action of the Galois group on defined using ρ. We prove that the space of such embeddings are in bijective correspondence with the space of all holomorphic differential operators of order two on a rank n vector bundle over X with the property that the symbol of the operator is an isomorphism.     

The interplay of diffusion and heterogeneity in nucleation of the networked Ising model

Nucleation underlies the dynamics of most first-order phase transitions in natural and man-made systems. However, most of the systems of interest are out of equilibrium. Little is known on the effect of nonequilibrium factors on the dynamics of nucleation. Here, we use the forward flux sampling method to investigate the effect of nonequilibrium diffusion on nucleation in small-world Ising networks, wherein spins can be exchanged between nearest-neighboring nodes. We introduce a parameter α to quantify the difference of nucleation rate with and without diffusion. We find that α shows a nonmonotonic dependence on the rewiring probability p of small-world networks. In particular, for different diffusion probability D, a crossover happens at p ≃ 0.17, below which the nucleation rate decreases as D increases, suggesting that the diffusion is against nucleation; while above which the nucleation rate increases with D, indicating that the diffusion is in favor of nucleation. By identifying the distinct features of nucleating clusters along the pathways for different randomness of networks, we reveal the underlying mechanism of such a nontrivial dependence.     

天然C19-二萜生物碱的研究进展及其核磁共振波谱特征

C₁₉-二萜生物碱是二萜生物碱中数量最多的一类,主要分布于毛茛科的乌头属、翠雀属和飞燕草属植物中．C₁₉-二萜生物碱结构复杂、生理活性显著,一直吸引着科研工作者的广泛关注．本文主要对2010~2018年报道的天然来源C₁₉-二萜生物碱的研究进行总结,并归纳了C₁₉-二萜生物碱各子类型的核磁共振（NMR）结构特征和解析方式,以期为C₁₉-二萜生物碱的深入研究及开发提供参考依据．     

Determination of the optical constants of metals and semiconductors by combining ellipsometry with electron spectroscopy microscopy and X-ray specular reflection analysis

The optical constants n(λ) and k(λ) of metals and semiconductors can be determined by spectroellipsometry, however, their apparent values are considerably affected by the roughness and oxide overlayer thickness dof the sample. Aluminium thin film samples of high perfection and very low roughness (<1 nm) have been studied by cross-disciplinary experimental methods: X-ray specular reflection analysis for determining the structure and thickness of the natural (hydrated) oxide overlayer and roughness of the substrate; plasmon electron energy loss spectroscopy supplied d. For calibration of the d measurements a special thin film multilayer system was developed, suitable for preparing cross-sectional samples for resolution transmission electron microscopy. Knowing the roughness and d-data, the optical constants n(λ) and k(λ) of aluminium were determined by spectroellipsometry in the spectral range λ=365–633 nm. Experimental results and a nomogram are presented for evaluating n(λ) and k(λ). The dependence of the ellipsometric optical constants on roughness and d is discussed. Very good agreement of the optical constants with the corrected ellipsometric results of Blanco and the synchrotron spectroscopy data of Hagemann was found. The cross-disciplinary methods can be applied to metals and semiconductors covered with an overlayer.     

Poisson-Lie T-duality and complex geometry in N = 2 superconformal WZNW models

Poisson-Lie T-duality in N = 2 superconformal WZNW models on the real Lie groups is considered. It is shown that Poisson-Lie T-duality is governed by the complexifications of the corresponding real groups endowed with Semenov-Tian-Shansky symplectic forms, i.e. Heisenberg doubles. Complex Heisenberg doubles are used to define on the group manifolds of the N = 2 superconformal WZNW models the natural actions of the isotropic complex subgroups forming the doubles. It is proved that with respect to these actions N = 2 superconformal WZNW models admit Poisson-Lie symmetries. The Poisson-Lie T-duality transformation maps each model onto itself but acts non-trivially on the space of classical solutions.     

Paper I: The use of measurement-time dependent single-aliquot equivalent-dose estimates from quartz in the identification of incomplete signal resetting

The identification of incomplete signal re-setting of optically stimulated luminescence signals in sedimentary quartz is a vitally important step in the continued improvement of optical dating. It is shown that narrow spectrum (blue-green) laboratory partial bleaching of aliquots of natural sedimentary quartz has a significant effect on equivalent dose (measured using a single aliquot procedure) calculated as a function of measurement time (D_e(t)). The blue-green stimulation spectrum mimics that found underwater and the results suggest that incomplete re-setting of waterlain sediments may be possible using the D_e(t) method.     

糖的原子电距矢量表达及其核磁共振碳谱模拟

提出以原子电性距离矢量(VAED),描述上百种糖分子中数百个不同等价碳原子的化学环境;并结合γ效应校正,建立核磁共振碳谱(¹³C NMR)化学位移(CS)的五参数线性模型.用于糖分子中四类不同的等价碳原子化学位移的估计,复相关系数R和均方根误差RMS及标准偏差SD和F-统计量F分别为:伯碳n=62,R=0.991 0,RMS=1.960 2(SD=1.9762,F=5 0 2.32 94,EV=0.980 5);仲碳n=79,R=0.9886,RMS=2.5 40 5(SD=2.5 5 67,F=5 1 5.60 4 6,EV=0.975 7);叔碳n=30 2,R=0.95 1 4,RMS=3.6884(SD=3.694 5,F=4 68.82 76,EV=0.90 35)及季碳n=1 4,R=0.5 772,RMS=8.862 6(SD=9.1 972,F=0.5 82 8,EV=-0.0 837).经交互校验,伯仲叔碳的化学位移模型稳定性较好.并综合几种处理方法,找到一种较好的建模方法,将它用于几个外部样本的定量预测,结果良好.     

One-step implementation of a multi-target-qubit controlled phase gate with cat-state qubits in circuit QED

We propose a single-step implementation of a muti-target-qubit controlled phase gate with one catstate qubit (cqubit) simultaneously controlling n–1 target cqubits. The two logic states of a cqubit are represented by two orthogonal cat states of a single cavity mode. In this proposal, the gate is implemented with n microwave cavities coupled to a superconducting transmon qutrit. Because the qutrit remains in the ground state during the gate operation, decoherence caused due to the qutrit’s energy relaxation and dephasing is greatly suppressed. The gate implementation is quite simple because only a single-step operation is needed and neither classical pulse nor measurement is required. Numerical simulations demonstrate that high-fidelity realization of a controlled phase gate with one cqubit simultaneously controlling two target cqubits is feasible with present circuit QED technology. This proposal can be extended to a wide range of physical systems to realize the proposed gate, such as multiple microwave or optical cavities coupled to a natural or artificial three-level atom.     

Paper II: The interpretation of measurement-time-dependent single-aliquot equivalent-dose estimates using predictions from a simple empirical model

Narrow spectrum (blue-green) laboratory partial bleaching of aliquots of natural sedimentary quartz has been shown to have a significant effect on equivalent dose (measured using a single aliquot procedure) calculated as a function of measurement time (D_e(t)). A simple model, based on empirical data, is presented in which the effects of partial bleaching on D_e(t) are predicted, taking into account the influences of pre- and post-burial doses. The model is applied to the case of heterogeneous populations of partially bleached single grains with various ranges of residual doses. Modelling shows that under realistic conditions, D_e histogram plots are unable to distinguish between samples having age overestimates and those with correct ages, whereas the proposed D_e–Z plot is able to make this distinction. Furthermore, modelling shows that D_e–Z plots can identify sub-populations of grains/aliquots that show most evidence of full bleaching, which can then be used to estimate a correct mean D_e value.