A Computational Study of N–H…O Hydrogen Bonding to Investigate Cooperative Effects

In this study, nuclear magnetic resonance spectroscopy and nuclear quadrupole resonance spectroscopy parameters of 14N (Nitrogen in imidazole ring) in N–H…O hydrogen bonding for Histidine hydrochloride monohydrate were calculated via density functional theory. We considered a five-molecule model system of Histidine hydrochloride monohydrate. Also we examined the trends of environmental effect on hydrogen bonds as well as cooperativity. The functional used in this research is M06-2X which is a good functional and the obtained results has shown good agreement with experimental data. This functional was applied to calculate the NMR and NQR parameters. Some correlations among NBO parameters, NMR and NQR parameters have been studied which have shown the existence of strong correlations among them. Furthermore, the geometry optimization has been performed using M062X/6-31++G(d,p) method. In addition, in order to study cooperativity and changes in structural parameters, along with increase in cluster size, natural bond orbitals have been employed.

Operations Research Applications in Audit Planning and Scheduling

This paper presents a state-of-the-art survey of the operations research models developed for internal audit planning. Two alternative approaches have been followed in the literature for audit planning: (1) identifying the optimal audit frequency; and (2) determining the optimal audit resource allocation. The first approach identifies the elapsed time between two successive audits, which can be presented as the optimal number of audits in a given planning horizon, or the optimal number of transactions after which an audit should be performed. It also includes the optimal audit schedule. The second approach determines the optimal allocation of audit frequency among all auditable units in the firm. In our review, we discuss both the deterministic and probabilistic models developed for audit planning. In addition, game theory models are reviewed to find the optimal auditing strategy based on the interactions between the auditors and the clients.

Simulink Library for Reference Current Generation in Active DC Traction Substations

This paper is focused on the reference current calculation in the compensation mode of the active DC traction substations. The so-called p-q theory of the instantaneous reactive power is used as theoretical foundation. The compensation goal of total compensation is taken into consideration for the operation under both sinusoidal and nonsinusoidal voltage conditions, through the two objectives of unity power factor and perfect harmonic cancelation. Four blocks of reference current generation implement the conceived algorithms and they are included in a specific Simulink library, which is useful in a DSP dSPACE-based platform working under Matlab/Simulink. The simulation results validate the correctness of the implementation and fulfillment of the compensation tasks.

Researches Concerning Photons as Corpuscles with Mass and Negative Electrostatic Charge

Let us consider that the entire universe is composed of a single hydrogen atom within which the electron is moving around the proton. In this case, according to classical theories of physics, radiation, photons respectively, should be absorbed by the electron. Depending on the number of photons absorbed, the electron radius of rotation around the proton is established. Until now, the principle of photons absorption by electrons and the electron transition to a new energy level, namely to a higher radius of rotation around the proton, is not clarified in physics. This paper aims to demonstrate that radiation, photons respectively, have mass and negative electrostatic charge similar to electrons but infinitely smaller. The experiments which demonstrate this theory are simple: thermal expansion, photoelectric effect and thermonuclear reaction.

Spatial Abilities, Memory and Intellect of Drivers with Different Level of Professional Experience

The aim of this research was to reveal the link between mental variables, such as spatial abilities, memory, intellect and professional experience of drivers. Participants were allocated to four groups: no experience, inexperienced, skilled and professionals (total 85 participants). The level of ability for spatial navigation and indicator of nonverbal memory grow along the process of accumulation of driving experience. At high levels of driving experience, this tendency is especially noticeable. The professionals having personal achievements in driving (racing) differ from skilled drivers in better feeling of direction, which is specific for them not just in a short-term situation of an experimental task, but also in life-size perspective. The level of ability of mental rotation does not grow with the growth of driving experience, which confirms the multiple intelligence theory according to which spatial abilities represent specific, other than logical intelligence type of intellect. The link between spatial abilities, memory, intellect and professional experience of drivers seems to be different relating spatial navigation or mental rotation as different kinds of spatial abilities.

Vendor Selection and Supply Quotas Determination by using Revised Weighting Method and Multi-Objective Programming Methods

In this paper a new methodology for vendor selection and supply quotas determination (VSSQD) is proposed. The problem of VSSQD is solved by the model that combines revised weighting method for determining the objective function coefficients, and a multiple objective linear programming (MOLP) method based on the cooperative game theory for VSSQD. The criteria used for VSSQD are: (1) purchase costs and (2) product quality supplied by individual vendors. The proposed methodology has been tested on the example of flour purchase for a bakery with two decision makers.

First Principles Study of Structural and Elastic Properties of BaWO4 Scheelite Phase Structure under Pressure

In this paper, we investigated the athermal pressure behavior of the structural and elastic properties of scheelite BaWO4 phase up to 7 GPa using the ab initio pseudo-potential method. The calculated lattice parameters pressure relation have been compared with the experimental values and found to be in good agreement with these results. Moreover, we present for the first time the investigation of the elastic properties of this compound using the density functional perturbation theory (DFPT). It is shown that this phase is mechanically stable up to 7 GPa after analyzing the calculated elastic constants. Other relevant quantities such as bulk modulus, pressure derivative of bulk modulus, shear modulus; Young’s modulus, Poisson’s ratio, anisotropy factors, Debye temperature and sound velocity have been calculated. The obtained results, which are reported for the first time to the best of the author’s knowledge, can facilitate assessment of possible applications of the title material.

Experiments of a Free Surface Flow in a Hydraulic Channel over an Uneven Bottom

The present study is concerned with the problem of determining the shape of the free surface flow in a hydraulic channel which has an uneven bottom. For the mathematical formulation of the problem, the fluid of the two-dimensional irrotational steady flow in water is assumed inviscid and incompressible. The solutions of the nonlinear problem are obtained by using the usual conformal mapping theory and Hilbert’s technique. An experimental study, for comparing the obtained results, has been conducted in a hydraulic channel (subcritical regime and supercritical regime). 

Development of an Automated Quality Management System to Control District Heating

To solve these problems, we investigated the management system of heating enterprise, including strategic planning based on the balanced scorecard (BSC), quality management in accordance with the standards of the Quality Management System (QMS) ISO 9001 and analysis of the system based on expert judgment using fuzzy inference. To carry out our work we used the theory of fuzzy sets, the QMS in accordance with ISO 9001, BSC, method of construction of business processes according to the notation IDEF0, theory of modeling using Matlab software simulation tools and graphical programming LabVIEW. The results of the work are as follows: We determined possibilities of improving the management of heat-supply plant-based on QMS; after the justification and adaptation of software tool it has been used to automate a series of functions for the management and reduction of resources and for the maintenance of the system up to date; an application for the analysis of the QMS based on fuzzy inference has been created with novel organization of communication software with the application enabling the analysis of relevant data of enterprise management system. 

Inverse Matrix in the Theory of Dynamic Systems

In dynamic system theory a mathematical model is often used to describe their properties. In order to find a transfer matrix of a dynamic system we need to calculate an inverse matrix. The paper contains the fusion of the classical theory and the procedures used in the theory of automated control for calculating the inverse matrix. The final part of the paper models the given problem by the Matlab.

Novel Approach to Design of a Class-EJ Power Amplifier Using High Power Technology

This article proposes a new method for application in communication circuit systems that increase efficiency, PAE, output power and gain in the circuit. The proposed method is based on a combination of switching class-E and class-J and has been termed class-EJ. This method was investigated using both theory and simulation to confirm ∼72% PAE and output power of >39dBm. The combination and design of the proposed power amplifier accrues gain of over 15dB in the 2.9 to 3.5GHz frequency bandwidth. This circuit was designed using MOSFET and high power transistors. The loadand source-pull method achieved the best input and output networks using lumped elements. The proposed technique was investigated for fundamental and second harmonics having desirable amplitudes for the output signal.

The Change in Management Accounting from an Institutional and Contingency Perspective: A Case Study for a Romanian Company

The objective of this paper is to present the process of change in management accounting in Romania, a former communist country from Eastern Europe. In order to explain this process, we used the contingency and institutional theories. We focused on the following directions: the presentation of the scientific context and motivation of this research and the case study. We presented the state of the art in the process of change in the management accounting from the international and national perspective. We also described the evolution of management accounting in Romania in the context of economic and political changes. An important moment was the fall of communism in 1989. This represents a starting point for a new economic environment and for new management accounting. Accordingly, we developed a case study which presented this evolution. The conclusion of our research was that the changes in the management accounting system of the company analysed occurred in the same time with the institutionalisation of some elements (e.g. degree of competition, training and competencies in management accounting). The management accounting system was modelled by the contingencies specific to this company (e.g. environment, industry, strategy).

Simulink Model of Reference Frame Theory Based Three Phase Shunt Active Filter

Among various active filters, shunt active filter is a viable solution for reactive power and harmonics compensation. In this paper, the SRF plan is used to generate current reference for compensation and conventional PI controllers were used as the controller to compensate the reactive power. The design of the closed loop controllers is reserved simple by modeling them as first order systems. Computationally uncomplicated and efficient SVM system is used in the present work for better utilization of dc bus voltage. The rating of shunt active filter has been finalized based on the reactive power demand of the selected reactive load. The proposed control and SVM technique are validated by simulating in MATLAB software.

Realization of Soliton Phase Characteristics in 10 Gbps, Single Channel, Uncompensated Telecommunication System

In this paper, the dependence of soliton pulses with respect to phase in a 10Gbps, single channel, dispersion uncompensated telecommunication system was studied. The characteristic feature of periodic soliton interaction was noted at the Interaction point (I=6202.5Km) in one collision length of L=12405.1 Km. The interaction point is located for 10Gbps system with an initial relative spacing (qo) of soliton as 5.28 using Perturbation theory. It is shown that, when two in-phase solitons are launched, they interact at the point I=6202.5 Km, but the interaction could be restricted with introduction of different phase initially. When the phase of the input solitons increases, the deviation of soliton pulses at the ‘I’ also increases. We have successfully demonstrated this effect in a telecommunication set-up in terms of Quality factor (Q), where the Q=0 for in-phase soliton. The Q was noted to be 125.9, 38.63, 47.53, 59.60, 161.37, and 78.04 for different phases such as 10o, 20o, 30o, 45o, 60o and 90o degrees respectively at Interaction point (I).

Two New Relative Efficiencies of Linear Weighted Regression

In statistics parameter theory, usually the parameter estimations have two kinds, one is the least-square estimation (LSE), and the other is the best linear unbiased estimation (BLUE). Due to the determining theorem of minimum variance unbiased estimator (MVUE), the parameter estimation of BLUE in linear model is most ideal. But since the calculations are complicated or the covariance is not given, people are hardly to get the solution. Therefore, people prefer to use LSE rather than BLUE. And this substitution will take some losses. To quantize the losses, many scholars have presented many kinds of different relative efficiencies in different views. For the linear weighted regression model, this paper discusses the relative efficiencies of LSE of β to BLUE of β. It also defines two new relative efficiencies and gives their lower bounds.

Lamb Waves in Plates Subjected to Uniaxial Stresses

On the basis of the theory of nonlinear elasticity, the effect of homogeneous stress on the propagation of Lamb waves in an initially isotropic hyperelastic plate is analysed. The equations governing the propagation of small amplitude waves in the prestressed plate are derived using the theory of small deformations superimposed on large deformations. By enforcing traction free boundary conditions at the upper and lower surfaces of the plate, acoustoelastic dispersion equations for Lamb wave propagation are obtained, which are solved numerically. Results are given for an aluminum plate subjected to a range of applied stresses.

Time/Temperature-Dependent Finite Element Model of Laminated Glass Beams

The polymer foil used for manufacturing of laminated glass members behaves in a viscoelastic manner with temperature dependance. This contribution aims at incorporating the time/temperature-dependent behavior of interlayer to our earlier elastic finite element model for laminated glass beams. The model is based on a refined beam theory: each layer behaves according to the finite-strain shear deformable formulation by Reissner and the adjacent layers are connected via the Lagrange multipliers ensuring the inter-layer compatibility of a laminated unit. The time/temperature-dependent behavior of the interlayer is accounted for by the generalized Maxwell model and by the time-temperature superposition principle due to the Williams, Landel, and Ferry. The resulting system is solved by the Newton method with consistent linearization and the viscoelastic response is determined incrementally by the exponential algorithm. By comparing the model predictions against available experimental data, we demonstrate that the proposed formulation is reliable and accurately reproduces the behavior of the laminated glass units.

Internet Shopping: A Study Based On Hedonic Value and Flow Theory

With the flourishing development of online shopping, an increasing number of customers see online shopping as an entertaining experience. Because the online consumer has a double identity as a shopper and an Internet user, online shopping should offer hedonic values of shopping and Internet usage. The purpose of this study is to investigate hedonic online shopping motivations from the perspectives of traditional hedonic value and flow theory. The study adopted a focus group interview method, including two online and two offline interviews. Four focus groups of shoppers consisted of online professionals, online college students, offline professionals and offline college students. The results of the study indicate that traditional hedonic values and dimensions of flow theory exist in the online shopping environment. The study indicated that online shoppers seem to appreciate being able to learn things and grow to become competitive achievers online. Comparisons of online hedonic motivations between groups are conducted. This study serves as a basis for the future growth of Internet marketing.

Development of Algorithms for the Study of the Image in Digital Form for Satellite Applications: Extraction of a Road Network and Its Nodes

In this paper we propose a novel methodology for extracting a road network and its nodes from satellite images of Algeria country. This developed technique is a progress of our previous research works. It is founded on the information theory and the mathematical morphology; the information theory and the mathematical morphology are combined together to extract and link the road segments to form a road network and its nodes. We therefore have to define objects as sets of pixels and to study the shape of these objects and the relations that exist between them. In this approach, geometric and radiometric features of roads are integrated by a cost function and a set of selected points of a crossing road. Its performances were tested on satellite images of Algeria country.

First-Principles Investigation of the Structural and Electronic Properties of Mg1-xBixO

We investigated the structure and electronic properties of the compound Mg1-xBixO with varying concentrations of 0, ¼, ½, and ¾ x bismuth in the the cesium chloride (CsCl), zinc-blende (ZnS), nickel arsenide (NiAs) NaCl (rock-salt) and WZ (wurtzite) phases. We calculated. The calculations were performed using the first-principles pseudo-potential method within the framework of spin density functional theory (DFT).