Monte Carlo simulation of polytypes

Based on the analogy between polytypes and spin-half Ising chains with competing short- and infinite-range interactions, a Monte Carlo simulation of polytypes has been attempted. A general double-layer mechanism connects different states of the polytype chain with about the same probability as the spin-flip mechanism in magnetic Ising chains. It has been possible to simulate various polytypes with periodicities extending up to 12 layers. The Monte Carlo method should be useful in testing different interaction models that may be proposed in the future to describe polytypism.

A Novel Power Allocation Scheme for Two-User GMAC with Finite Input Constellations

Constellation Constrained (CC) capacity regions of two-user Gaussian Multiple Access Channels (GMAC) have been recently reported, wherein an appropriate angle of rotation between the constellations of the two users is shown to enlarge the CC capacity region. We refer to such a scheme as the Constellation Rotation (CR) scheme. In this paper, we propose a novel scheme called the Constellation Power Allocation (CPA) scheme, wherein the instantaneous transmit power of the two users are varied by maintaining their average power constraints. We show that the CPA scheme offers CC sum capacities equal (at low SNR values) or close (at high SNR values) to those offered by the CR scheme with reduced decoding complexity for QAM constellations. We study the robustness of the CPA scheme for random phase offsets in the channel and unequal average power constraints for the two users. With random phase offsets in the channel, we show that the CC sum capacity offered by the CPA scheme is more than the CR scheme at high SNR values. With unequal average power constraints, we show that the CPA scheme provides maximum gain when the power levels are close, and the advantage diminishes with the increase in the power difference.

Selenium in Diketopyrrolopyrrole-based Polymers: Influence on Electronic Properties and Charge Carrier Mobilities

Diketopyrrolopyrrole (DPP)-based pi-conjugated copolymers with thiophene have exceptionally high electron mobilities. This paper investigates electronic properties and charge carrier mobilities of selenophene containing analogues. Two new copolymers, with alternating thiophene DPP (TDPP) and selenophene DPP (SeDPP) units, were synthesized. Two side-chains, hexyl (Hex) and triethylene glycol (TEG) were employed, yielding polymers designated as PTDPPSeDPP-Hex and PTDPPSeDPP-TEG. Selenophene systems have smaller band gaps, with concomitant enhancement of the stability of the reduced state. For both polymers, ambipolar mobilities were observed in organic field-effect transistors (OFET). Grazing incidence X-ray diffraction (GIXD) data indicates preferential edge-on orientation of PTDPPSeDPP-TEG, which leads to superior charge transport properties of the TEG substituted polymer, as compared to its Hex analogue. Time-dependent-density functional theory (TDDFT) calculations corroborate the decrease in the optical band gap with the inclusion of selenophene. Ambipolar charge transport is rationalized by exceptionally wide conduction bands. Delta SCF calculations confirm the larger electron affinity, and therefore the greater stability, of the reduced form of the selenophene-containing DPP polymer in presence of chloroform.

SOME INFINITE SUMS IDENTITIES

We find the sum of series of the form Sigma(infinity)(i=1) f(i)/i(r) for some special functions f. The above series is a generalization of the Riemann zeta function. In particular, we take f as some values of Hurwitz zeta functions, harmonic numbers, and combination of both. These generalize some of the results given in Mezo's paper (2013). We use multiple zeta theory to prove all results. The series sums we have obtained are in terms of Bernoulli numbers and powers of pi.

Direct numerical simulation of transition and turbulence in compressible mixing layer

The three-dimensional compressible Navier-Stokes equations are approximated by a fifth order upwind compact and a sixth order symmetrical compact difference relations combined with three-stage Ronge-Kutta method. The computed results are presented for convective Mach number Mc = 0.8 and Re = 200 with initial data which have equal and opposite oblique waves. From the computed results we can see the variation of coherent structures with time integration and full process of instability, formation of Lambda-vortices, double horseshoe vortices and mushroom structures. The large structures break into small and smaller vortex structures. Finally, the movement of small structure becomes dominant, and flow field turns into turbulence. It is noted that production of small vortex structures is combined with turning of symmetrical structures to unsymmetrical ones. It is shown in the present computation that the flow field turns into turbulence directly from initial instability and there is not vortex pairing in process of transition. It means that for large convective Mach number the transition mechanism for compressible mixing layer differs from that in incompressible mixing layer.

Análise de polimorfismos e de expressão do gene p16INK4a em neoplasias cervicais

O câncer de colo do útero é o segundo carcinoma mais frequente em mulheres no mundo e um dos cânceres femininos mais incidentes no Brasil. Em lesões pré-malignas e malignas do colo uterino, a proteína p16INK4a, que participa do controle do ciclo celular, apresenta um aumento considerável de sua expressão, devido possivelmente à presença de oncoproteínas do papilomavírus humano (HPV). Dois polimorfismos no gene p16INK4a, p16 500C>G e p16 540C>T, estão localizados na região 3 não traduzida (3UTR), que está envolvida na regulação pós-transcricional da expressão gênica. O objetivo deste estudo foi avaliar possíveis associações entre os polimorfismos p16 500C>G e p16 540C>T e o desenvolvimento de neoplasias cervicais e/ou a severidade das lesões, considerando os níveis de expressão da proteína p16INK4a nas lesões cervicais e certos fatores de risco clássicos para o câncer cervical, incluindo a infecção pelo HPV. Para isso, foram selecionadas 567 mulheres residentes no Rio de Janeiro, 319 com citologia cervical alterada (grupo de casos) e 248 sem história prévia de alteração citológica do colo uterino (grupo de comparação). Amostras de sangue periférico de todas as participantes foram utilizadas na análise molecular dos polimorfismos p16 500C>G e p16 540C>T através da técnica de PCR-RFLP (reação em cadeia da polimerase - polimorfismo de comprimento de fragmento de restrição), usando as enzimas de restrição MspI e HaeIII, respectivamente. A expressão da proteína p16INK4a em 137 biópsias de mulheres pertencentes ao grupo de casos foi avaliada por imunohistoquímica. A detecção de DNA do HPV em células cervicais foi feita em todas as amostras do grupo de comparação e em 194 amostras do grupo de casos pela técnica de PCR, usando dois pares de oligonucleotídeos, MY09/MY11 e GP05+/GP06+. Os dois grupos de estudo se encontram em equilíbrio de Hardy-Weinberg. As distribuições genotípicas para p16 500C>G e p16 540C>T e as distribuições de combinações haplotípicas nos dois grupos não apresentaram diferenças significativas. A análise do subgrupo HSIL+câncer (casos com lesão intraepitelial de alto grau ou carcinoma invasivo) em comparação com o subgrupo LSIL (casos com lesão intraepitelial de baixo grau) revelou diferença significativa entre as distribuições das combinações haplotípicas (p = 0,036) e diferenças marginais entre as distribuições genotípicas para p16 500C>G (p = 0,071) e p16 540C>T (p = 0,051). O alelo p16 540G, em heterozigose ou homozigose (OR = 1,91, IC 95% = 1,08-3,37), e a combinação haplotípica p16 500C-540C 500G-540C (OR = 2,34, IC 95% = 1,202-4,555) mostraram-se associados com a severidade da lesões cervicais. Já o genótipo p16 540T/T (OR = 0,25, IC 95% = 0,08-0,79), e a combinação haplotípica p16 500C-540T 500C-540T (OR = 0,27, IC 95% = 0,088-0,827) exibiram papel protetor contra o desenvolvimento de lesões mais severas. As análises de interação entre os polimorfismos de p16INK4a e a expressão de p16 ou a infecção pelo HPV foram comprometidas pelo número reduzido de amostras analisadas. Não se observou qualquer interação entre os polimorfismos estudados e os fatores de risco clássicos para o câncer de colo uterino. Nossos resultados apontam para a importância dos polimorfismos do gene p16INK4a como marcadores de severidade da neoplasia cervical.

沉积温度对电子束蒸发HfO2薄膜残余应力的影响

采用电子束蒸发沉积方法在BK7玻璃基底和熔融石英基底上沉积了HfO2薄膜，研究了不同沉积温度下的应力变化规律。利用ZYGO干涉仪测量了基片镀膜前后曲率半径的变化，计算了薄膜应力。结果发现在所考察的实验条件下HfO2薄膜的残余应力均为张应力，应力值随沉积温度的升高先增大后减小。两种基底上薄膜的残余应力的主要产生机制不同。对于BK7玻璃基底HfO2薄膜的残余应力起决定作用的是内应力，熔融石英基底上HfO2薄膜的残余应力在较低沉积温度下制备的薄膜起决定作用的是热应力，在沉积温度进一步升高后内应力开始起决定作用。

反射型导模共振滤波器设计

导模共振滤波器由于其高峰值反射率,低旁带反射,窄带以及带宽可控等优良特性引起了人们极大的关注,采用亚波长光栅的导模共振效应可以实现传统基于高低折射率介质的多层膜滤波器所无法实现的特殊功能,在弱调制模式下,其共振带宽可以被压缩到零点几纳米,但是由于介质表面和空气层的菲涅耳反射,使得偏离或者远离共振区时的反射率偏高,根据等效介质理论,亚波长光栅在远离共振区可以被看为均匀的薄膜,本文通过对导模共振光栅进行单层、双层以及三层抗反射设计,有效的降低了导模共振光栅的旁带反射率,从而在可见光波段获得了性能优良的共振滤波器.

Trawling Operations and South African (Cape) Fur Seals, Arctocephalus pusillus pusillus

South African (Cape) fur seals, Arctocephalus pusillus pusillus, interact with the South African trawl fisheries-offshore demersal, inshore demersal, and midwater fisheries. These interactions take thef ollowing forms: Seals take or damage netted fish, on particular vessels they become caught in the propeller, seals drown in the nets, live seals come aboard and may be killed. Except in specific cases of seals damaging particular trawler propellers, interactions result in little cost to the offshore and midwater trawl fisheries. For the inshore fishery, seals damage fish in the net at an estimated cost in excess of R69, 728 (US$18,827) per year, but this is negligible (0.3%) in terms ofthe value of the fishery. Seal mortality is mainly caused by drowning in trawl nets and ranges from 2,524 to 3,636 seals of both sexes per year. Between 312 and 567 seals are deliberately killed annually, but this most likely takes place only when caught and they enter the area below deck, where they are difficult to remove, and pose a potential threat to crew safety. Overall, seal mortality during trawling operations is negligible (0.4-0.6%) in terms of the feeding population of seals in South Africa.