bluuebunny/crossref_metadata_2025_split huggingface dataset:
Using a modified genetic algorithm to find feasible regions of a desirability function
Authors: Wan Wen , Birch Jeffrey B. 
Published: May 2011

AbstractThe multi‐response optimization (MRO) problem in response surface methodology is quite common in applications. Most of the MRO techniques such as the desirability function method by Derringer and Suich are utilized to find one or several optimal solutions. However, in fact, practitioners usually prefer to identify all of the near‐optimal solutions, or all feasible regions, because some feasible regions may be more desirable than others based on practical considerations. In this paper, with benefits from the stochastic property of a genetic algorithm (GA), we present an innovative procedure using a modified GA (MGA), a computational efficient GA with a local directional search incorporated into the GA process, to approximately generate all feasible regions for the desirability function without the limitation of the number of factors in the design space. The procedure is illustrated through a case study. The MGA is also compared with other commonly used methods for determining the set of feasible regions. Using Monte Carlo simulations with two benchmark functions and a case study, it is shown that the MGA can more efficiently determine the set of feasible regions than the GA, grid methods, and the Nelder–Mead simplex algorithm. Copyright © 2011 John Wiley & Sons, Ltd.
Assessment of binary inspection with a hybrid measurand
Authors: Erdmann Tashi P. , de Mast Jeroen 
Published: May 2011

AbstractThis paper addresses issues that arise in measurement system analysis of a binary measurement system if the measurand is a hybrid between a dichotomy and a continuum. A case study is presented, which illustrates methods to assess the error rates of binary measurements with such a hybrid measurand. The case study concerns pass/fail inspection of laptop screens for scratches, where the measurand is the presence or absence of scratches. If a scratch is present, the measurand corresponds with a continuum of scratch sizes, but if no scratch is present, the measurand corresponds with a point. It is argued that if the measurand is a hybrid, a standard logistic regression model is not suitable to estimate the characteristic curve relating the reject probability with the measurand. Several alternative specifications for the characteristic curve are introduced and compared. We conclude that many of the methods currently used for assessment of a binary measurement system with a hybrid measurand are unsuited. This is a remarkable conclusion, given the frequent occurrence in industry of leak tests, inspections for defects, and other binary measurement systems with a hybrid measurand. Copyright © 2011 John Wiley & Sons, Ltd.
Direct ab initio dynamics study of the reaction of C2(A3Πu) with CH4
Authors: Huo Rui‐Ping , Huang Xu‐Ri , Li Ji‐Lai , Zhang Xiang , Li Na , Sun Chia‐Chung 
Published: May 2011

AbstractThe reaction of C2(A3Πu) with CH4 has been investigated over a wide temperature range 200–3,000 K by direct ab initio dynamics method at the BMC‐CCSD//BB1K/6‐311+G(2d,2p) level of theory. The optimized geometries and frequencies of the stationary points are calculated at the BB1K/6‐311+G(2d,2p) level, and then the energy profiles of the reactions are refined using the BMC‐CCSD method. The activation barrier height for H‐abstraction reaction was calculated to be 4.44 kcal/mol in temperature range (337–605 K), and the electron transfer behavior was also analyzed by quasi‐restricted molecular orbital method in detail. The canonical variational transition‐state theory (CVT) with the small curvature tunneling (SCT) correction method is used to calculate the rate constants over a wide temperature range 200–3,000 K. The theoretical results shows that variational effect is to some extent large in lower temperature range, and small curvature and tunneling effect play important roles to the H‐atom abstraction only at lower temperatures. The CVT/SCT rate constants are in good agreement with the available experimental results. Our theoretical study is expected to provide a direct insight into the reaction mechanism and may be useful for estimating the kinetics of the title reaction over a wide temperature range where no experimental data are available so far. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Reactions of 1S, 1D, and 3P carbon atoms with water. Oxygen abstraction and intermolecular formaldehyde generation mechanisms; An MCSCF study
Authors: Ozkan Ilker , Dede Yavuz 
Published: May 2011

AbstractReactions of singlet and triplet carbon atoms with water are explored theoretically using CASSCF–MCQDPT2, CCSD, and DFT methodologies. The 1S carbons are found to be unreactive. Depending on the carbon atom generation method and the reaction medium, gas‐phase C(3P) attacking water may generate CO and atomic hydrogen as the end products. Reaction paths of the C(1D) + H2O system are complicated due to the involvement of two reactive potential energy surfaces with branchings occurring along each. Modifications in product distributions for reactions taking place in condensed phases are elaborated. The decisive reaction conditions, under which the oxygen abstraction and intermolecular formaldehyde generation dominate, are suggested to clarify the discrepancy related with experimental CO observation. The findings are consistent with available experimental data on this system. Oxygen abstraction and intermolecular formaldehyde generation mechanisms suggested here are capable of serving as models for similar reactions of alcohols. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Characterization of intermolecular interactions in crystalline aspirin: A computational NQR study
Authors: Esrafili Mehdi D. , Alizadeh Vahideh 
Published: May 2011

AbstractA computational study at the level of density functional theory was carried out to characterize the17O and2H nuclear quadrupole resonance (NQR) spectroscopy parameters in crystalline aspirin. To include OH···O and CH···O hydrogen bonding effects in the calculations, the most probable interacting molecules with the target molecule in the crystalline phase were considered through a pentamer cluster. The NQR calculations were performed with BLYP, B3LYP, and M06 functionals employing 6‐311++G** and Jensen's polarization‐consistent pcJ‐1 basis sets. Linear correlations are observed between the calculated17O and2H NQR parameters and the hydrogen bond strengths, suggesting the possibility of estimating hydrogen bonding information from calculated NQR data. Different contributions of various nuclei to hydrogen bonding interactions and observed trends of calculated NQR parameters are well justified by atoms in molecules analyses at the BCPs of these interactions. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Effects of solvent on weak halogen bonds: Density functional theory calculations
Authors: Lu Yunxiang , Li Haiying , Zhu Xiang , Liu Honglai , Zhu Weiliang 
Published: May 2011

AbstractIn recent years, many applications of solution‐phase halogen bonding in anion recognition, catalysis, and pseudorotaxane formation have been reported. Moreover, a number of thermodynamic data of halogen bonding interactions in organic solution are now available. To obtain detailed information of the influence of the surrounding medium on weak halogen bonds, a series of dimeric complexes of halobenzene (PhX) with three electron donors (H2O, HCHO, and NH3) were investigated by means of DFT/PBE calculations in this work. The PCM implicit solvation approach was utilized to include the effects of three solvents (cyclohexane, chloroform, and water) as representatives for a wide range of dielectric constant. In some cases, halogen‐bond distances are shown to shorten in solution, accompanied by concomitant elongation of the CX bonds. For the remaining systems, the intermolecular distances tend to increase or remain almost unchanged under solvent effects. In general, the solvent has a slight destabilizing effect on weak halogen bonds; the strength order of halogen bonds observed in vacuum remains unchanged in liquid phases. Particularly, the interaction strength attenuates in the order I > Br > Cl in solution, consistent with the experimental measurements of weak halogen bond door abilities. The similarities between halogen and hydrogen bonding in solution were also elucidated. The results presented herein would be very useful in future applications of halogen bonding in molecular recognition and medicinal chemistry. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Comparison of Tabu/2‐opt heuristic and optimal tree search method for assignment problems
Authors: Jackson J. , Faied M. , Girard A. 
Published: May 2011

AbstractA nonlinear cooperative control problem involving several vehicles is detailed and solved. The vehicles must be assigned to perform many tasks such that they obey constraints on the order of task completion and minimize a nonlinear objective function, the total time to finish all tasks. This is an example of a combinatorial task assignment problem. A novel heuristic is introduced that represents a new combination of two combinatorial optimization tools. The quality of the solutions produced by this heuristic is demonstrated through comparison with a branch and bound search method. The branch and bound method is a well‐known procedure and finds optimal solutions to the constrained, nonlinear task assignment problem. Copyright © 2011 John Wiley & Sons, Ltd.
Model reference robust adaptive control for a class of uncertain switched linear systems
Authors: Wang Qing , Hou Yanze , Dong Chaoyang 
Published: May 2011

SUMMARYIn this paper, we proposed a model reference robust adaptive control approach for a class of uncertain switched linear systems, in which subsystems of the switched linear system are in control canonical form. The control architecture is composed of a switched reference system (SRS) and a switched adaptive controller (SAC). The SRS specifies the desired dynamics of the uncertain switched linear system, while the SAC makes the uncertain switched linear system dynamics track the SRS dynamics. By multiple Lyapunov functions method, we prove that the closed‐loop switched system is uniformly bounded under arbitrary switching laws, provided that a linear matrix inequality (LMI)‐based sufficient condition is satisfied. We apply the proposed approach to a typical servo‐hydraulic positioning system. The simulation results show that the proposed approach is fairly insensitive to disturbances, uncertainties and non‐smoothly varying dynamics, and performs better than a proportional‐derivative controller or a minimal controller synthesis controller. Copyright © 2011 John Wiley & Sons, Ltd.
An implicit Lyapunov control for finite‐dimensional closed quantum systems
Authors: Zhao Shouwei , Lin Hai , Sun Jitao , Xue Zhengui 
Published: May 2011

SUMMARYIn this paper, the state convergence problem for closed quantum systems is investigated. We consider two degenerate cases, where the internal Hamiltonian of the system is not strongly regular or the linearized system around the target state is not controllable. Both the cases are closely related to practical systems such as one‐dimensional oscillators and coupled two spin systems. An implicit Lyapunov‐based control strategy is adopted for the convergence analysis. In particular, two kinds of Lyapunov functions are defined by implicit functions and their existences are guaranteed by a fixed point theorem. The convergence analysis is investigated by the LaSalle invariance principle for both cases. Moreover, the two Lyapunov functions are unified in a general form, and the characterization of the largest invariant set is presented. Finally, simulation studies are included to show the effectiveness and advantage of the proposed methods. Copyright © 2011 John Wiley & Sons, Ltd.
Constraint‐admissible sets for systems with soft constraints and their application in model predictive control
Authors: Wang Chen , Ong Chong‐Jin 
Published: May 2011

SUMMARYConstraint‐admissible sets have been widely used in the study of control systems with hard constraints. This paper proposes a generalization of the maximal constraint‐admissible set for constrained linear discrete‐time systems to the case where soft or probabilistic constraints are present. Defined in the most obvious way, the maximal probabilistic constraint‐admissible set is not invariant. An inner approximation of it is proposed which is invariant and has other nice properties. The application of this approximate set in a model predictive control framework with probabilistic constraints is discussed, including the feasibility and stability of the resulting closed‐loop system. The effectiveness of the proposed approach is illustrated via numerical examples. Copyright © 2011 John Wiley & Sons, Ltd.
Label‐free discrimination of normal and fibroadenomal breast tissues using second harmonic generation imaging
Authors: Zheng Liqin , Zhuo Shuangmu , Chen Gang , Zhu Xiaoqin , Jiang Xingshan , Yan Jun , Chen Jianxin , Xie Shusen 
Published: May 2011

AbstractEarly detection of fibroadenoma (FA) is critical for preventing subsequent breast cancer. In this work, we show that label‐free second harmonic generation (SHG) imaging is feasible and effective in quantitatively differentiating the fibroadenomal tissue from normal breast tissue. With the advent of the clinical portability of miniature SHG microscopy, we believe that the technique has great potential in offering a noninvasive in vivo imaging tool for early detection of FA and monitoring the treatment responses of FA in clinics. SCANNING 33: 208–210, 2011. © 2011 Wiley Periodicals, Inc.
Analysis of spontaneous adverse drug reaction (ADR) reports using supplementary information
Authors: Ghosh Palash , Dewanji Anup 
Published: May 2011

AbstractAssessment of safety of newly marketed drugs is an important public health issue. Once the drug is in the market, clinicians and/or health professionals are responsible for recognizing and reporting suspected side effects known as adverse drug reaction (ADR). Such reports are collected in a so‐called spontaneous reporting (SR) system. The primary purpose of spontaneous ADR reporting is to provide early warnings or suspicions, which have not been recognized prior to marketing of a drug because of limitations of clinical trials. We shall discuss the existing work to analyze the SR database and their drawbacks and also suggest methodologies to tackle these drawbacks by defining a source population and considering the problem of under‐reporting, with the help of supplementary data. Unbiased estimate of population odds‐ratio has been obtained and the corresponding asymptotic results are derived. Copyright © 2011 John Wiley & Sons, Ltd.
Instandsetzung der Druckrohrleitung des Kraftwerks Cleuson‐Dixence, Schweiz — Eine Herausforderung an den Stahlbau
Authors: Riesinger Robert 
Published: May 2011

AbstractDas Kraftwerk Cleuson‐Dixence in der Schweiz mit 1269 MW Nennleistung zählt zu den eindrucksvollsten Wasserkraftanlagen Europas. Die technischen Leistungen vereinigen einige Weltrekorde: Die größte Leistung pro Pelton‐Turbine mit 423 MW, die größte Pol‐Leistung je Wechselstromgenerator und die größte Fallhöhe von 1883 m — aus welcher eine Druckrohrleitung mit dem bisher höchsten Innendruck von 2070 m Wasserhöhe resultiert.Ein Schadensfall an der bestehenden Druckrohrleitung im Jahre 2000 setzte das gesamte Krafthaus Bieudron für fast ein Jahrzehnt außer Betrieb. Der Schaden wurde offenbar durch einen Kaltriss in einer mangelhaft geschweißten Werksschweißnaht ausgelöst, welcher auch bei der original durchgeführten zerstörungsfreien Werkstoffprüfung nicht ausreichend detektiert werden konnte. Basierend auf den Ergebnissen der eingehenden Untersuchungen wurde beschlossen, dass der gesamte Druckschacht mit einer Länge von über 4 km erneuert werden musste. Diese Rehabilitation sah vor, dass in dem bestehenden Druckschacht eine zusätzliche Stahlpanzerung (= Druckrohrleitung) eingebaut werden muss. Der Nominal‐Ringraum zwischen der bestehenden und der neuen Stahlpanzerung wurde so klein wie möglich mit 130 mm definiert. Dieser Ringraum muss nach der Montage sukzessive mit Beton hinterfüllt werden.Dieses Konzept war Grundlage für die Auftragserteilung im Jahre 2006. Die Auswahl der Fertigungs‐ und Montageverfahren stellte aufgrund der Geschichte dieses Superlativ‐Projektes eine Herausforderung dar.Rehabilitation of the penstock of the power plant Cleuson‐Dixence, Swiss — Challenges for the steel constructor. The power plant Cleuson‐Dixence in Swiss with its 1269 MW nominal capacity is one of the most impressive hydroelectric power plants all over Europe. Three world records are held of this plant: the highest output per Pelton‐turbine with 423 MW, the highest pole‐output of each AC generator and the highest head of 1883 m — resulting in a penstock of a designed internal pressure of 2070 m water column.An accident on the existing penstock in the year 2000 has led to a stop of operations for almost a decade. The damage was apparently caused by a cold crack in a shop weld seam, which couldn’t be detected properly during the originally performed NDT. Based on the results of detailed investigations it had been decided, that the entire penstock over its more than 4 km length had to be renewed completely. The concept of the rehabilitation was the construction of an additional penstock, inserted in the existing one. The nominal gap between the existing and the new penstock should be as small as possible and was defined with 130 mm. The gap shall be backfilled with concrete continuously after installation.This concept was the basis for the award of the construction contract in the year 2006. The selection of the most proper fabrication‐ and installation procedures was a challenge in this project of superlatives.
Einfluss imperfekter Ringflanschverbindungen auf die Ermüdungsfestigkeit von kreiszylindrischen Stützen
Authors: Lener G. , Schweigkofler Hermann 
Published: May 2011

AbstractBei Seilbahnen, Windenergieanlagen, Kaminen etc. werden oft turmartige Stahlkonstruktionen aus kreiszylindrischen oder konischen Rohrabschnitten verwendet, welche mittels L‐förmiger Flanschverbindungen verschraubt sind. Auf Grund von Imperfektionen zufolge Schweißverzug und hohen dynamischen Beanspruchungen werden häufig die Grenzen der Beanspruchbarkeit der Flanschverbindungen erreicht. In vielen Fällen ist nicht der Nachweis der Traglast (ULS) von Bedeutung, vielmehr ist der Grenzzustand der Ermüdung (FLS) maßgebend für die Dimensionierung.Der vorliegende Beitrag beinhaltet die Untersuchung imperfekter Ringflanschverbindungen von kreisförmigen Seilbahnstützen auf Ermüdung. An einem Bauteilversuch im Maßstab 1 : 1 wurde die Ermüdungsfestigkeit der gesamten Flanschverbindung (Schrauben, Schweißnaht, Rohrmantel) untersucht. Parallel durchgeführte FE‐Berechnungen dienen als Vergleich zu den Laborergebnissen. Zum Abschluss wird eine Möglichkeit der Berücksichtigung der Flanschimperfektionen für die praktische Bemessung aufgezeigt.Effects of imperfect ring flange connections on the fatigue resistance of cylindrical columns. For cableway installations, wind turbines, chimneys etc. often tower‐like steel constructions from cylindrical or conical tubing sections are used, which are bolted by means of L‐shaped flange connections. Due to imperfections from welding distortion and high dynamic loads the resistance of the flange connections will be frequently achieved. In many cases the ultimate load (ULS) proof becomes less important and the fatigue assessment (FLS) is determining the dimensions.This contribution contains investigations of imperfect flange connections of circular cable car towers on fatigue. A large scale test was performed to prove the fatigue strength of the entire flange connection (bolts, welding seam, tube section). Parallel accomplished FE‐computations serve as comparison to the laboratory test results. As conclusion a possible procedure to consider flange imperfections for the practical dimensioning is pointed out.
Entwicklung einer neuartigen Verbundfahrbahnplatte für Eisenbahnbrücken
Authors: Fink Josef , Herrmann Paul , Juen Lukas 
Published: May 2011

AbstractEisenbahnbrücken älterer Bauart nähern sich mit zunehmender Anzahl dem Ende ihrer planmäßigen Lebensdauer. Im Gegensatz zur früher üblichen offenen Fahrbahn beinhalten moderne Brücken aus Gründen des Lärmschutzes in der Regel jedoch ein Schotterbett oder eine feste Fahrbahn. Daraus resultiert zwangsläufig ein Anstieg der erforderlichen Bauhöhe. Bei Brückenerneuerungen ist das Gleichbleiben der Höhendifferenz zwischen Konstruktionsunterkante und Schienenoberkante (Bauhöhe) aber oft eine wesentliche Randbedingung. Aus diesem Grund wurde eine neuartige, extrem schlanke Verbundfahrbahnplatte entwickelt.Im Zuge der bisherigen Forschungsarbeit wurden vier Versuchskörper im statischen Versuch getestet und numerische sowie analytische Modelle zur Beschreibung des Tragverhaltens abgeleitet. Im Folgenden werden das Konstruktionsprinzip, das Herstellungsverfahren und die grundlegenden Tragmechanismen vorgestellt. Zusätzlich werden entwickelte globale und lokale Berechnungsmodelle beschrieben und deren Ergebnisse mit den Messdaten der Versuchsserie verglichen.Development of an innovative composite deck slab for railway bridges. In the past railway bridges were often built without a ballast bed. More and more of these bridges are reaching their calculated end of life. Modern deck slabs of railway bridges usually have to contain a ballast bed, for example for noise protection. This results in an increase of the required construction height for the superstructure. By the replacement of old railway bridges it is often a decisive constraint that the height between rail level and the lowest line of the structure remains equal. In order to fulfil this criterion an innovative and extremely slender composite deck slab was developed.In the course of research four composite plate specimens were tested experimentally in order to derive analytical and numerical models for the description of the load‐bearing behaviour. The principles of construction and fabrication as well as the basic load‐bearing mechanism will be presented in the following. Furthermore, the derived models will be described and the calculated results will be compared with the measurement data. Additionally to strains and deflections, crack patterns are evaluated.