PICVib: An accurate,fast, and simple procedure to investigate selected vibrational modes at high theoretical levels

A new approach Procedure for Investigating Categories of Vibrations (PICVib) for estimating vibrational frequencies of selected modes using only the structure and energy calculations at a more demanding computational level is presented and explored. The PICVib has an excellent performance at only a small fraction of the computational demand required for a complete analytical calculation. The errors are smaller than ca. 0.5% when DFT functionals are combined with high level ab initio methods. The approach is general because it can use any quantum chemical program and electronic structure method. It is very robust because it was validated for a wide range of frequency values (ca. 20–4800 cm^–1) and systems: XH₃ (D_3h) with X = B, Al, Ga, N, P, As, O, S, and Se, YH₄ (D_4h) with Y = C, Si, and Ge, conformers of RDX, S_N2 and E2 reactions, [W(dppe)₂(NNC₅H₁₀)] complex, carbon nanotubes, and hydrogen‐bonded complexes including guanine‐cytosine pair. © 2012 Wiley Periodicals, Inc.     

量子点单光子源的光纤耦合

半导体量子点在低温下产生谱线细锐的激子发光可制备单光子源.光纤耦合可避免低温共聚焦装置扫描定位和振动影响,是实现单光子源即插即用和组件化的关键技术.在耦合工艺上,基于微区定位标记发展出拉锥光纤与光子晶体腔或波导侧向耦合、大数值孔径锥形端面光纤与量子点样片垂直耦合等技术;然而,上述工艺需要多维度精密调节以避免柔软光纤的畸形弯曲实现对准和高效耦合.陶瓷插针或石英V槽封装的光纤无弯曲且具有大平滑端面,只要与单量子点样片对准贴合就可保证垂直收光, V槽封装的排式光纤还可通过盲对粘合避免扫描对准,耦合简单.本文在前期排式光纤粘合少对数分布Bragg反射镜(distributed Bragg reflector, DBR)微柱样片实现单光子输出基础上,经理论模拟采用多对数DBR腔提升样片垂直出光和光纤收光效率,使光纤输出单光子计数率大大提升.     

Tunable optomechanically induced transparency and fast–slow light in a loop-coupled optomechanical system

We theoretically explore the tunability of optomechanically induced transparency(OMIT) phenomenon and fast–slow light effect in a loop-coupled hybrid optomechanical system in which two optical modes are coupled to a common mechanical mode. In the probe output spectrum, we find that the interference phenomena OMIT caused by the optomechanical interactions and the normal mode splitting(NMS) induced by the strong tunnel coupling between the cavities can be observed. We further observe that the tunnel interaction will affect the distance and the heights of the sideband absorption peaks. The results also show that the switch from absorption to amplification can be realized by tuning the driving strength because of the existence of stability condition. Except from modulating the tunnel interaction, the conversion between slow light and fast light also can be achieved by adjusting the optomechanical interaction in the output field. This study may provide a potential application in the fields of high precision measurement and quantum information processing.     

Some results about zero‐cycles on abelian and semi‐abelian varieties

In this short note we extend some results obtained in [7]. First, we prove that for an abelian variety A with good ordinary reduction over a finite extension of with p an odd prime, the Albanese kernel of A is the direct sum of its maximal divisible subgroup and a torsion group. Second, for a semi‐abelian variety G over a perfect field k, we construct a decreasing integral filtration of Suslin's singular homology group, , such that the successive quotients are isomorphic to a certain Somekawa K‐group.     

On the Smith normal form of a skew‐symmetric d‐optimal design of order

We show that the Smith normal form of a skew‐symmetric D ‐optimal design of order is determined by its order. Furthermore, we show that the Smith normal form of such a design can be written explicitly in terms of the order , thereby proving a recent conjecture of Armario. We apply our result to show that certain D ‐optimal designs of order are not equivalent to any skew‐symmetric D ‐optimal design. We also provide a correction to a result in the literature on the Smith normal form of D ‐optimal designs.     

LOCALIZED PATTERNS OF THE CUBIC-QUINTIC SWIFT-HOHENBERG EQUATIONS WITH TWO SYMMETRY-BREAKING TERMS

Homoclinic snake always refers to the branches of homoclinic orbits \mbox{near} a heteroclinic cycle connecting a hyperbolic or non-hyperbolic equilibrium and a periodic orbit in a reversible variational system. In this paper, the normal form of a Swift-Hohenberg equation with two different symmetry-breaking terms (non-reversible term and non-k-symmetry term) are investigated by using multiple scale method, and their bifurcation diagrams are initially studied by numerical simulations. Typically, we predict numerically the existence of so-called round-snakes and round-isolas upon particular two symmetric-breaking perturbations.     

A novel synthetic strategy for preparing semi‐aromatic components modified polyamide 6 polymer

In this work, a novel synthetic path for preparing semi‐armotic components modified polyamide 6 was developed by caprolactam as solvent of purified terephthalic acid and 1,6‐hexanediamine. First, the ring opening reaction and poly‐addition of caprolactam were initiated by 1,6‐hexanediamine to generate a prepolymer containing amino groups in both ends, then followed by the poly‐condensation reaction with purified terephthalic acid, a long chain copolymer was produced, which the reaction time was reduced by 4 h compared with conventional hydrolytic ring‐opening polymerization of pure caprolactam. By varying the ratio of terephthalic acid and 1,6‐hexanediamine, a series of copolymers with different number average molecular weight and physical properties were prepared. Analytical results showed that the conversion percentage of caprolactam is significantly increased by the proposed method. Furthermore, this new copolymers exhibited excellent transparence and high decomposition temperature. Besides, the copolymers with average molecular weight ≥15,000 present good mechanical properties, making it a potentially useful application in plastics, textile yarn, and membranes. © 2018 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2018 , 56, 959–967