Effects Of Subgrid-Scale Modeling On Lagrangian Statistics In Large-Eddy Simulation

The application of large-eddy simulation (LES) to turbulent transport processes requires accurate prediction of the Lagrangian statistics of flow fields. However, in most existing SGS models, no explicit consideration is given to Lagrangian statistics. In this paper, we focus on the effects of SGS modeling on Lagrangian statistics in LES ranging from statistics determining single-particle dispersion to those of pair dispersion and multiparticle dispersion. Lagrangian statistics in homogeneous isotropic turbulence are extracted from direct numerical simulation (DNS) and the LES with a spectral eddy-viscosity model. For the case of longtime single-particle dispersion, it is shown that, compared to DNS, LES overpredicts the time scale of the Lagrangian velocity correlation but underpredicts the Lagrangian velocity fluctuation. These two effects tend to cancel one another leading to an accurate prediction of the longtime turbulent dispersion coefficient. Unlike the single-particle dispersion, LES tends to underestimate significantly the rate of relative dispersion of particle pairs and multiple-particles, when initial separation distances are less than the minimum resolved scale due to the lack of subgrid fluctuations. The overprediction of LES on the time scale of the Lagrangian velocity correlation is further confirmed by a theoretical analysis using a turbulence closure theory.

二维槽道湍流的标度律分析

对不同Reynolds数的二维不可压槽道湍流（即二维槽道流动的扰动饱和态）进行了标度律分析。指出二维槽道湍流中存在明显的标度律及扩展自相似性；分析了标度数随着流动Reynolds数的变化，指出随着Reynolds数的增长，标度指数的奇异性并没有减小的趋势；由此推测充分发展的二维槽道湍流的标度指数也是奇异的。将所得计算值和佘振苏等人的SL标度律预测值相比较，认为佘等人的SL标度律公式能很好描述二维湍流。

槽道湍流的直接数值模拟

通过直接数值模拟(DNS)研究槽道湍流的性质和机理。包含五个部分：1）湍流直接数值模拟的差分方法研究。2）求解不可压N－S方程的高效算法和不可压槽道湍流的直接数值模拟。3）可压缩槽道湍流的直接数值模拟和压缩性机理分析。4）“二维湍流”的机理分析。5）槽道湍流的标度律分析。1．针对壁湍流计算网格变化剧烈的特点，构造了基于非等距网格的的迎风紧致格式。该方法直接针对计算网格构造格式中的系数，克服了传统方法采用 Jacobian 变换因网格变化剧烈而带来的误差。针对湍流场的多尺度特性分析了差分格式的精度、网格尺度与数值模拟能分辨的最小尺度的关系，给出不同差分格式对计算网格步长的限制。同时分析了计算中混淆误差的来源和控制方法，指出了迎风型紧致格式能很好地控制混淆误差。2．将上述格式与三阶精度的Adams半隐格式相结合，构造了不可压槽道湍流直接数值模拟的高效算法。该算法利用基于交错网格的离散形式的压力Poisson方程求解压力项，避免了压力边界条件处理的困难。利用FFT对方程中的隐式部分进行解耦，解耦后的方程采用追赶法（LU分解法）求解，大大减少了计算量。为了检验该方法，进行了三维不可压槽道湍流的直接数值模拟，得到了Re＝2800的充分发展不可压槽道湍流，并对该湍流场进行了统计分析。包括脉动速度偏斜因子在内的各阶统计量与实验结果及Kim等人的计算结果吻合十分理想，说明本方法是行之有效的。3．进行了三维充分发展的可压缩槽道湍流的直接数值模拟。得到了 Re=3300，Ma=0.8的充分发展可压槽道湍流的数据库。流场的统计特征（如等效平均速度分布，“半局部”尺度无量纲化的脉动速度均方根）和他人的数值计算结果吻合。得到了可压槽道湍流的各阶统计量，其中脉动速度的偏斜因子和平坦因子等高阶统计量尚未见其他文献报道。同时还分析了压缩性效应对壁湍流影响的机理，指出近壁处的压力－膨胀项将部分湍流脉动的动能转换成内能，使得可压湍流近壁速度条带结构更加平整。4．模拟了二维不可压槽道流动的饱和态（所谓“二维湍流”），分析了“二维槽道湍流”的非线性行为特征。分析了流场中的上抛－下扫和间歇现象，研究了“二维湍流”与三维湍流的区别。指出“二维湍流”反映了三维湍流的部分特征，同时指出了展向扰动对于湍流核心区发展的重要性。5．首次对可压缩槽道湍流及“二维槽道湍流”标度律进行了分析，得出了以下结论：a）槽道湍流中，在槽道中心线附近较宽的区域，存在标度律。b）该区域流场存在扩展自相似性（ESS）。c）在Mach数不是很高时，压缩性对标度指数影响不大。本文结果同SL标度律的理论值吻合较好，有效支持了该理论。对“二维槽道湍流”也有相似的结论，但与三维湍流不同的是，“二维槽道湍流”存在标度律的区域更宽，近壁处的标度指数比中心处有所升高。

Hydroelectric Voltage Generation Based On Water-Filled Single-Walled Carbon Nanotubes

A DFT/MD mutual iterative method was employed to give insights into the mechanism of voltage generation based on water-fitted single-walled carbon nanotubes (SWCNTs). Our calculations showed that a constant voltage difference of several mV would generate between the two ends of a carbon nanotube, due to interactions between the water dipole chains and charge carriers in the tube. Our work validates this structure of a water-fitted SWCNT as a promising candidate for a synthetic nanoscale power cell, as well as a practical nanopower harvesting device at the atomic level. 

Transport Properties And Induced Voltage In The Structure Of Water-Filled Single-Walled Boron-Nitrogen Nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orientation, and the density distribution, and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore, this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

Transport properties and induced voltage in the structure of water-filled single-walled boron-nitrogen nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration the diffusion coefficient the dipole orientation and the density distribution and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

Pharmacology and pore-forming domains of the cystic fibrosis transmembrane conductance regulator

The cystic fibrosis transmembrane conductance regulator (CFTR) is a chloride channel member of the ATP-binding cassette (ABC) superfamily of membrane proteins. CFTR has two homologous halves, each consisting of six transmembrane spanning domains (TM) followed by a nucleotide binding fold, connected by a regulatory (R) domain. This thesis addresses the question of which domains are responsible for Cl^- selectivity, i.e., which domains line the channel pore.

To address this question, novel blockers of CFTR were characterized. CFTR was heterologously expressed in Xenopus oocytes to study the mechanism of block by two closely related arylaminobenzoates, diphenylamine-2-carboxylic acid (DPC) and flufenamic acid (FFA). Block by both is voltage-dependent, with a binding site ≈ 40% through the electric field of the membrane. DPC and FFA can both reach their binding site from either side of the membrane to produce a flickering block of CFTR single channels. In addition, DPC block is influenced by Cl^- concentration, and DPC blocks with a bimolecular forward binding rate and a unimolecular dissociation rate. Therefore, DPC and FFA are open-channel blockers of CFTR, and a residue of CFTR whose mutation affects their binding must line the pore.

Screening of site-directed mutants for altered DPC binding affinity reveals that TM-6 and TM-12 line the pore. Mutation of residue 5341 in TM-6 abolishes most DPC block, greatly reduces single-channel conductance, and alters the direction of current rectification. Additional residues are found in TM-6 (K335) and TM-12 (T1134) whose mutations weaken or strengthen DPC block; other mutations move the DPC binding site from TM-6 to TM-12. The strengthened block and lower conductance due to mutation T1134F is quantitated at the single-channel level. The geometry of DPC and of the residues mutated suggest α-helical structures for TM-6 and TM-12. Evidence is presented that the effects of the mutations are due to direct side-chain interaction, and not to allosteric effects propagated through the protein. Mutations are also made in TM-11, including mutation S1118F, which gives voltage-dependent current relaxations. The results may guide future studies on permeation through ABC transporters and through other Cl^- channels.

Investigation of competitive antagonist binding to the nicotinic acetylcholine receptor using voltage-jump and light-flash techniques

1. The effect of 2,2’-bis-[α-(trimethylammonium)methyl]azobenzene (2BQ), a photoisomerizable competitive antagonist, was studied at the nicotinic acetycholine receptor of Electrophorus electroplaques using voltage-jump and light-flash techniques.

2. 2BQ, at concentrations below 3 μΜ, reduced the amplitude of voltage-jump relaxations but had little effect on the voltage-jump relaxation time constants under all experimental conditions. At higher concentrations and voltages more negative than -150 mV, 2BQ caused significant open channel blockade.

3. Dose-ratio studies showed that the cis and trans isomers of 2BQ have equilibrium binding constants (K _ᵢ) of .33 and 1.0 μΜ, respectively. The binding constants determined for both isomers are independent of temperature, voltage, agonist concentration, and the nature of the agonist.

4. In a solution of predominantly cis-2BQ, visible-light flashes led to a net cis→trans isomerization and caused an increase in the agonist-induced current. This increase had at least two exponential components; the larger amplitude component had the same time constant as a subsequent voltage-jump relaxation; the smaller amplitude component was investigated using ultraviolet light flashes.

5. In a solution of predominantly trans-2BQ, UV-light flashes led to a net trans→cis isomerization and caused a net decrease in the agonist-induced current. This effect had at least two exponential components. The smaller and faster component was an increase in agonist-induced current and had a similar time constant to the voltage-jump relaxation. The larger component was a slow decrease in the agonist-induced current with rate constant approximately an order of magnitude less than that of the voltage-jump relaxation. This slow component provided a measure of the rate constant for dissociation of cis-2BQ (k_ = 60/s at 20°C). Simple modelling of the slope of the dose-rate curves yields an association rate constant of 1.6 x 10⁸/M/s. This agrees with the association rate constant of 1.8 x 10⁸/M/s estimated from the binding constant (K_i). The Q₁₀ of the dissociation rate constant of cis-2BQ was 3.3 between 6° and 20°C. The rate constants for association and dissociation of cis-28Q at receptors are independent of voltage, agonist concentration, and the nature of the agonist.

6. We have measured the molecular rate constants of a competitive antagonist which has roughly the same K _ᵢ as d-tubocurarine but interacts more slowly with the receptor. This leads to the conclusion that curare itself has an association rate constant of 4 x 10⁹/M/s or roughly as fast as possible for an encounter-limited reaction.

Entre mapas e moças do tempo: informação e entretenimento na meteorologia do Jornal Nacional e do Rural Notícias

Este trabalho é um estudo sobre a mistura que se estabelece entre informação meteorológica e entretenimento nos quadros da previsão do tempo de dois telejornais nacionais das Organizações Globo: Jornal Nacional JN (canal aberto Rede Globo) e Rural Notícias RN (canal fechado Canal Rural). A recepção dos programas sobre o tempo é analisada a partir de entrevistas abertas, com 40 espectadores de ambos os noticiários, habitantes da cidade e do campo. Também por meio de entrevistas, são avaliadas as representações da produção, privilegiando as denominadas moças do tempo, Flávia Freire (JN) e Lilian Lima (RN). Auxiliam na identificação do entretenimento, nos espaços da meteorologia, a observação do surgimento do consumidor moderno, a extensão do consumo ao lazer, o divertimento pela televisão, o tempo como assunto para conversa, as representações do corpo na cultura brasileira e traços da educação na transmissão meteorológica no Telejornalismo do país. Assim, são analisados os formatos dos quadros do tempo, suas funções aparentes, formatações, imagem corporal construída de suas apresentadoras e o público-alvo de cada telejornal. Esses principais pontos são relacionados com o pensamento de autores que estudam comunicação, tempo, hedonismo, utilitarismo, consumo, representações sociais, corpo, educação e pedagogia. A previsão da meteorologia aparece com várias funções, sendo dominantes a ênfase no cotidiano, em ambos os jornais; o foco no lazer, sobretudo no Jornal Nacional; e o destaque para o vínculo com a produção rural em sentido amplo, no caso do Rural Notícias.

Conselhos Comunitários de Segurança: a violência em diálogo políticas governamentais e suas práticas

Os conselhos comunitários de segurança pública do Rio de Janeiro representam uma mudança institucional na área das políticas públicas de segurança. Trata-se de um canal de abertura que permite a participação no plano local, caracterizado pela busca da instauração de diferentes padrões de interação entre governo e sociedade em torno do tema segurança. Baseado nas recentes análises acerca da sociedade civil, em que esta vem sendo tratada cada vez mais como instância aproximada da esfera governamental. O trabalho propõe expor uma análise político-social do conselho comunitário do bairro Méier e suas adjacências, localizados na Zona Norte do Rio de Janeiro. Esta região é conhecida pelos contrastes sociais e elevados índices de violência, por concentrar, de uma só vez, um comércio próspero, grande número de habitantes e diversas comunidades carentes dominadas pelo tráfico de drogas e de armas. A experiência deste conselho permite conhecer que a consolidação desta arena depende não só da presença de organizações e representantes sociais aptos a reivindicar múltiplos interesses, mas também do comprometimento do governo em reconhecer essas arenas como canais privilegiados na relação entre poder público e sociedade. O conselho caracteriza-se como uma ferramenta inovadora à medida que trata de um tema conflituoso como a segurança pública. Esta arena permite a aproximação entre comunidade e instituições historicamente fechadas como as polícias militar e civil. O exercício dos conselhos comunitários de segurança pública pode colaborar para o aprofundamento de uma democracia brasileira mais participativa e de um Estado mais poroso, na medida em que aposta no envolvimento de uma sociedade civil mais organizada e atuante, de um Poder Executivo e órgãos governamentais mais dispostos ao diálogo.

Deposition of small particles from turbulent flows

This paper deals with particle deposition onto solid walls from turbulent flows. The aim of the study is to model particle deposition in industrial flows, such as the one in gas turbines. The numerical study has been carried out with a two fluid approach. The possible contribution to the deposition from Brownian diffusion, turbulent diffusion and shear-induced lift force are considered in the study. Three types of turbulent two-phase flows have been studied: turbulent channel flow, turbulent flow in a bent duct and turbulent flow in a turbine blade cascade. In the turbulent channel flow case, the numerical results from a two-dimensional code show good agreement with numerical and experimental results from other resources. Deposition problem in a bent duct flow is introduced to study the effect of curvature. Finally, the deposition of small particles on a cascade of turbine blades is simulated. The results show that the current two fluid models are capable of predicting particle deposition rates in complex industrial flows.

Mixed nonlinear LES for DES suitable flows

It is shown that a new mixed nonlinear/eddy viscosity LES model reproduces profiles better than a number of competing nonlinear and mixed models for plane channel flow. The objective is an LES method that produces a fully resolved turbulent boundary layer and could be applied to a variety of aerospace problems that are currently studied with RANS, RANS-LES, or DES methods that lack a true turbulent boundary layer. There are two components to the new model. One an eddy viscosity based upon the advected subgrid scale energy and a relatively small coefficient. Second, filtered nonlinear terms based upon the Leray regularization. Coefficients for the eddy viscosity and nonlinear terms come from LES tests in decaying, isotropic turbulence. Using these coefficients, the velocity profile matches measurements data at Reτ ≈ 1000 exactly. Profiles of the components of kinetic energy have the same shape as in the experiment, but the magnitudes differ by about 25%. None of the competing LES gets the shape correct. This method does not require extra operations at the transition between the boundary layer and the interior flow.

Differential equation based length scales to improve DES and RANS simulations

Surprisingly expensive to compute wall distances are still used in a range of key turbulence and peripheral physics models. Potentially economical, accuracy improving differential equation based distance algorithms are considered. These involve elliptic Poisson and hyperbolic natured Eikonal equation approaches. Numerical issues relating to non-orthogonal curvilinear grid solution of the latter are addressed. Eikonal extension to a Hamilton-Jacobi (HJ) equation is discussed. Use of this extension to improve turbulence model accuracy and, along with the Eikonal, enhance Detached Eddy Simulation (DES) techniques is considered. Application of the distance approaches is studied for various geometries. These include a plane channel flow with a wire at the centre, a wing-flap system, a jet with co-flow and a supersonic double-delta configuration. Although less accurate than the Eikonal, Poisson method based flow solutions are extremely close to those using a search procedure. For a moving grid case the Poisson method is found especially efficient. Results show the Eikonal equation can be solved on highly stretched, non-orthogonal, curvilinear grids. A key accuracy aspect is that metrics must be upwinded in the propagating front direction. The HJ equation is found to have qualitative turbulence model improving properties. © 2003 by P. G. Tucker.

Scaling of velocity fluctuations in off-wall boundary conditions for turbulent flows

A model for off-wall boundary conditions for turbulent flow is investigated. The objective of such a model is to circumvent the need to resolve the buffer layer near the wall, by providing conditions in the logarithmic layer for the overlying flow. The model is based on the self-similarity of the flow at different heights in the logarithmic layer. It was first proposed by Mizuno and Jiménez (2013), imposing at the boundary plane a velocity field obtained on-the-fly from an overlying region. The key feature of the model was that the lengthscales of the field were rescaled to account for the self-similarity law. The model was successful at sustaining a turbulent logarithmic layer, but resulted in some disagreements in the flow statistics, compared to fully-resolved flows. These disagreements needed to be addressed for the model to be of practical application. In the present paper, a more refined, wavelength-dependent rescaling law is proposed, based on the wavelength-dependent dynamics in fully-resolved flows. Results for channel flow show that the new model eliminates the large artificial pressure fluctuations found in the previous one, and a better agreement is obtained in the bulk properties, the flow fluctuations, and their spectral distribution across the whole domain. © Published under licence by IOP Publishing Ltd.

Shop scheduling problems under precedence constraints

The paper considers a scheduling model that generalizes the well-known open shop, flow shop, and job shop models. For that model, called the super shop, we study the complexity of finding a time-optimal schedule in both preemptive and non-preemptive cases assuming that precedence constraints are imposed over the set of jobs. Two types of precedence rela-tions are considered. Most of the arising problems are proved to be NP-hard, while for some of them polynomial-time algorithms are presented.