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Wyniki wyszukiwania dla: EQUIVALENT CIRCUIT MODELLING
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Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Invariant measures for interval translations and some other piecewise continuous maps
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Efficient parallel implementation of crowd simulation using a hybrid CPU+GPU high performance computing system
PublikacjaIn the paper we present a modern efficient parallel OpenMP+CUDA implementation of crowd simulation for hybrid CPU+GPU systems and demonstrate its higher performance over CPU-only and GPU-only implementations for several problem sizes including 10 000, 50 000, 100 000, 500 000 and 1 000 000 agents. We show how performance varies for various tile sizes and what CPU–GPU load balancing settings shall be preferred for various domain...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublikacjaDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublikacjaThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublikacjaIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Simplified AutoDock force field for hydrated binding sites
Publikacjahas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Robust design in delta domain for SISO plants: PI and PID controllers
PublikacjaW pracy przedstawiono zunifikowaną metodę numerycznie odpornej syntezy sterowników (regulatorów) działających w dyskretnym czasie w układach sterowania skalarnymi obiektami czasu ciągłego. Wykorzystano dyskretnoczasowe modele takich obiektów, oparte na tak zwanym operatorze delta, charakteryzującym się korzystnymi odpornościowymi cechami w przypadku stosowania dostatecznie małych wartości okresu próbkowania przetwarzanych sygnałów....
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Conceptual system development in a concurrent environment
PublikacjaW artykule omówiono możliwości wspomagania jednego z najważniejszych obszarów projektowania, a mianowicie projektowania koncepcyjnego. Rozważania te odniesiono do otoczenia inżynierii wspozadaniowej, co dodatkowo skomplikowano problemy decyzyjne podejmowane na tym etapie projektowania. Zaproponowano szereg elementów wspomagania projektowania koncepcyjnego ze szczególnym uwzględnieniem możliwości praktycznej implementacji takiego...
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The methods of design reliable distributed networks
PublikacjaOpisano dwie metody projektowania niezawodnych sieci rozległych. W pierwszej metodzie przyjęto, że koszt konstrukcji każdego połączenia jest jednakowy, w drugiej koszty opisuje zadana macierz kosztów. Jako parametr niezawodnościowy przyjęto liczbę niezależnych dróg pomiędzy węzłami sieci. Pierwsza z metod jest metodą dokładną, druga heurystyczną. Zdefiniowano i oceniono błąd metody heurystycznej. Opublikowano wyniki otrzymane...
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Non-regular, incomplete and singular dynamical systems: impasse points indynamical systems
PublikacjaRozważono nieregularne, niezupełne i osobliwe różniczkowe systemy dynamicznez zastosowaniem metod geometrii różniczkowej.
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Qualitative and quantitative mechanisms in managing IT projects in concur-rent engineering environment
PublikacjaW artykule przedstawiono wprowadzenie do twardych i miękkich moetod modelowania. Nastepnie wprowadzono czytelnika do obszaru inżynierii równoległej (współzadaniowej). Całość zaproponowano jakośrodowisko wspomagania decyzji w procesach zarządzania złożonymi międzynarodowymi projektami badawczymi w obszaru Information Technology.
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I-lossless factorisations for robust H-inf-control in delta-domain
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Robust pole placement in delta domain for SISO plans
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Role patterns in IT projects teams - design of a selection module using fuzzy logic techniques
PublikacjaPresented paper introduces an approach based on usage of role patterns and modelling by the use of fuzzy logic tool for selection process with limitation to the area of IT projects environment. The article shows a concept of role patterns structures and their further usage in process of forming a fuzzy model dedicated to candidate assessment process support
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Existence and uniqueness of solutions for single-population McKendrick-von Foerster models with renewal
PublikacjaWe study a McKendrick-von Foerster type equation with renewal. This model is represented by a single equation which describes one species which produces young individuals. The renewal condition is linear but takes into account some history of the population. This model addresses nonlocal interactions between individuals structured by age. The vast majority of size-structured models are also treatable. Our model generalizes a number...
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New polish catalogue of typical flexible and semi-rigid pavements
PublikacjaThe paper covers the following topics important for the development of the new Polish Catalogue of typical flexible and semi-rigid pavements: reasons for preparing the new issue of the Catalogue of typical flexible and semi-rigid pavements, items introduced in the new issue, organise the terminology related to pavements, design traffic calculations and new equivalent axle load factors,...
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Role of surface recombination in perovskite solar cells at the interface of HTL/CH3NH3PbI3
PublikacjaIn order to achieve the highest performance of organometal trihalide perovskite solar cells, it is required to recognize the dominant mechanisms which play a key role in a perovskite material. In the following studies, we have focused on the interfacial recombination between the hole transporting layer (HTL) and the perovskite CH3NH3PbI3 in solar cell devices with p–i–n architecture. It has been shown that Cu:NiOx : used as HTL...
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Accurate modeling of layout parasitic to forecast EMI emitted from a DC-DC converter.
PublikacjaThis paper illustrates how to account for all parasitic due to the layout of a power converter (inductive and capacitive), in order to forecast electromagnetic interferences (EMI). The method is generic, and is validated here in the simple example of a DC-DC converter, realized on different technologies: insulated metal substrate (IMS), printed circuit board (PCB). In addition, several layouts aspects will be investigated. Conclusions...
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Wrażliwość probabilistyczna stanów granicznych konstrukcji - metoda Monte Carlo
PublikacjaPraca ukazuje zastosowanie metody symulacyjnej Monte Carlo w analizie losowej konstrukcji inżynierskich. Systematyka metod losowych obejmuje ich trzy poziomy, z zaznaczeniem poziomu trzeciego, o dowolnych typach zmiennych losowych – zmiennych podstawowych problemu. Ukazano przykład modelowana losowego obciążenia wiatrem na podstawie 10-letnich pomiarów prędkości wiatru, wykazując zgodność zbioru danych z rozkładem ekstremów Gumbela....
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Selected aspects of customization of cognitive dimensions for evaluation of visual modeling languages.
PublikacjaFor the successful application of diagrams in software engineering, high quality visual modelling languages (VML) are required. There is a need for new effective methodologies of VML evaluation. This paper discusses selected aspects of applying cognitive dimensions as a basis of the evaluation. Then, it briefly presents CD-VML methodology which integrates the cognitive dimensions with a theory of visual modelling languages. Finally,...
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Technical and economic conditions of supplying residential consumers with heat from nuclear power plant
PublikacjaThe reduction of CO2 emission requires technological shift towards carbon-free options. Cogeneration of electricity and heat based on coal and natural gas will experience generation cost increase, if the costs of emissions are imposed on the plant operators. Therefore, nuclear and renewable options should be considered. In this paper, we present the concept of electricity and heat supply system with nuclear condensing turbine adapted...
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Expedited EM-Driven Design of Miniaturized Microwave Hybrid Couplers Using Surrogate-Based Optimization
PublikacjaMiniaturization of microwave hybrid couplers is important for contemporary wireless communication engineering. Using standard computer-aided design methods for development of compact structures is extremely challenging due to a general lack of computationally efficient and accurate simulation models. Poor accuracy of available equivalent circuits results from neglecting parasitic cross-couplings that greatly affect the performance...
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A CMRC-based compact rat-race coupler with harmonic suppression
PublikacjaIn this paper, an eective miniaturization technique exploiting compact microstrip resonant cells has been discussed and experimentally validated on the basis of a 3-dB microstrip rat-race coupler. The application of the method proposed has resulted in 91 % circuit area reduction in comparison to a conventional rat-race coupler. Experimental results show good agreement with theoretical characteristics, as well as an additional eect,...
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A method of self-testing of analog circuits based on fully differential op-amps with theTCBF classifier
PublikacjaA new approach of self-testing of analog circuits based on fully differential op-amps of mixed-signal systems controlled by microcontrollers is presented. It consists of a measurement procedure and a fault diagnosis procedure. We measure voltage samples of a time response of a tested circuit on a stimulation of a unit step function given at the common-mode reference voltage input of the op-amp. The fault detection and fault localization...
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Impulse Impedance Measurements of Lightning Protection Earthings
PublikacjaLightning protection earthing systems should be tested at currents with time parameters similar to those of lightnings. A method and definition of a measured value of impulse impedance are introduced. The impulse impedance was determined by a quotient of voltage drop on the tested earthing to a value of current in measure circuit. The usefulness of the impulse method for lightning protection evaluation is tested on radio base stations...
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On Non-holonomic Boundary Conditions within the Nonlinear Cosserat Continuum
PublikacjaWithin the framework of the nonlinear micropolar elastic continuum we discuss non-holonomic kinematic boundary conditions. By non-holonomic boundary conditions we mean linear relations between virtual displacements and virtual rotations given on the boundary. Such boundary conditions can be used for modelling of complex material interactions in the vicinity of the boundaries and interfaces.
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High-precision bearing estimation for active sonar with cylindrical array performed by interpolated array transformation
PublikacjaThe article presents a method for improving the accuracy of bearing in multibeam sonar with a cylindrical array. The antenna’s non-linear shape and the resulting non-uniform sampling of the signal in space, mean that known methods of high-resolution spectral analysis cannot be used. In order to apply an algorithm from this group, a linear virtual antenna must be produced. The paper presents a technique of mapping a cylindrical...
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All Nonclassical Correlations Can Be Activated into Distillable Entanglement
PublikacjaWe devise a protocol in which general nonclassical multipartite correlations produce a physically relevant effect, leading to the creation of bipartite entanglement. In particular, we show that the relative entropy of quantumness, which measures all nonclassical correlations among subsystems of a quantum system, is equivalent to and can be operationally interpreted as the minimum distillable entanglement generated between the system...
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A novel sandwich footbridge - Practical application of laminated composites in bridge design and in situ measurements of static response
PublikacjaA novel sandwich composite footbridge is presented in the paper, as an example of practical application of laminated composites in civil engineering. The in situ static load tests of the footbridge before its acceptation for exploitation are shown and discussed. The results are compared with the corresponding ones from a numerical equivalent single layer model of the sandwich structure created within the framework of finite element...
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Discrete Green's function approach to disjoint domain simulations in 3D FDTD method
PublikacjaA discrete Green’s function (DGF) approach to couple 3D FDTD subdomains is developed. The total-field/scattered-field subdomains are simulated using the explicit FDTD method whilst interaction between them is computed as a convolution of the DGF with equivalent current sources measured over Huygens surfaces. In the developed method, the DGF waveforms are truncated using the Hann’s window. The error varies in the range -65 to -40...
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Modal properties identification of a novel sandwich footbridge – Comparison of measured dynamic response and FEA
PublikacjaA modern sandwich composite footbridge made of high-tech materials, being an example of practical application of laminated composites in civil engineering, is presented. The in situ non-destructive testing of the footbridge, aiming to identify modal properties and pedestrian comfort, is described. The measured eigenmodes and eigenfrequencies are compared with numerically estimated values. Finite element analyses of the footbridge...
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FEM simulation of laminate failure in the three point bending
PublikacjaThe paper presents a FEM simulation of failure of laminate subjected to the three point bending. The numeri-cal model is based on the equivalent single layer approach with 6-paramater non-linear shell theory kinematics. It is implemented in the non-commercial FEM code. The failure initiation is detected with the use of Tsai-Wu criterion. After the failure onset the progressive failure process is modelled through the appropriate...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublikacjaOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Secure access control and information protection mechanisms in radio system for monitoring and acquisition of data from traffic enforcement cameras
PublikacjaThe study presents the architecture of the Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras (in short: RSMAD), particularly concerning access control and protection of confidential data. RSMAD security structure will be discussed in relation to network security issues. Additionally, the paper presents the results of the work associated with the modelling of potential threats to system security.
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Computational algorithm for the analysis of mechatronic systems with distributed parameter elements
PublikacjaThe paper presents a systematic computational package for analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The algorithm is based on the transfer function method (DTFM). With this algorithm, a bond graph technique for the modelling is developed to simplify computations. Analysis of different systems requires only changing the inputs data in the form of the bond graph diagram
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Fast EM-Driven Parameter Tuning of Microwave Circuits with Sparse Sensitivity Updates via Principal Directions
PublikacjaNumerical optimization has become more important than ever in the design of microwave components and systems, primarily as a consequence of increasing performance demands and growing complexity of the circuits. As the parameter tuning is more and more often executed using full-wave electromagnetic (EM) models, the CPU cost of the overall process tends to be excessive even for local optimization. Some ways of alleviating these issues...
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The particle method for simulation of self-organization phenomena
PublikacjaThe aim of the work was to design, implement, and use, in a number of experiments, an abstract software environment (an artificial world)suitable for modelling systems consisting of many moving and interactingobjects distributed in space. The environment, named DigiHive, is directed towards modeling of complex systems manifested by processes of self-organization, self-reproduction and self modifications. The environment is mainly...
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Time domain model of the resonance-based electromagnetic pulses emission system
PublikacjaIn the literature, the emission properties of the electromagnetic field pulse systems based on high voltage antennas (HVR) have been widely described. In order to increase the emission efficiency by extending duration and increasing amplitude of the impulse it is possible to use a resonance system tuned to the parameters of the signal shaped in the pulse forming circuit. The synthesis of a time-domain simulation model of a complex...
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Cross-border transmission line configuration influence on the electrical power and energy billing process
PublikacjaIn 2015 a connection between the Polish and Lithuanian power systems become fully operational. The connection consists of a 400 kV double circuit transmission line and a back-to-back HVDC substation located on the Lithuanian side. A magnetic couplings between the circuits of the transmission line cause that during power transmission a different values of active power losses are observed in both circuits. This situation may cause...
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Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublikacjaInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
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The new investing effectiveness evaluation multi-criteria method in modern supply systems
PublikacjaThe important problem in the processes of modelling and programming the development of sustainable energy sector is the multi-criteria manner of assessing the effectiveness of investments. The goal of this paper is to show how to take into account the impact of investments in multidimensional modelling decision-making processes. This goal can be achieved through the development, presentation, and use of a new multi-criteria method...
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Influence of Added Water Mass on Ship Structure Vibration Parameters in Virtual and Real Conditions
PublikacjaModelling of ship structures in a virtual environment is now standard practice. Unfortunately, many engineers forget to consideri the influence of added water on the frequency values and the amplitude of natural vibrations. The article presents the effect of water damping on the frequency values of the individual natural vibration modes. The tests were carried out in two stages. First, the mentioned values were determined using...
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Experimental and computational study on mechanical behaviour of carpentry corner log joints
PublikacjaThis work concerns experimental and numerical research on carpentry joints used in historic wooden buildings in southeastern Poland and western Ukraine. These structures are mainly sacred buildings, and the types of corner log joints characteristic of this region are primarily saddle-notch and dovetail joints; thus, these two types of joints were analysed in this study. The modelling of historic timber structures is a complex...
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Comparative Analysis of Salient and Non-Salient Pole Brushless Synchronous Generator for Application in Autonomous Electric Power System
PublikacjaThis paper presents a comparative study of two types of brushless synchronous generator for application in autonomous electric power systems (e.g. airplane power grid). Commercially used salient pole and a prototype non-salient pole high speed multi-pole brushless synchronous generator (BSG) have been presented. Comparative analysis of both types of the generator has been performed. Chosen simulation (using FEM and circuit models)...
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Synthesis and Testing of BCZY/LNZ Mixed Proton–electron Conducting Composites for Fuel Cell Applications
PublikacjaA composite of BaCe0.6Zr0.2Y0.2O3–δ and Li2O:NiO:ZnO was investigated for fuel cell applications. The composite was successfully synthesized and its phase stability was confirmed at temperatures up to 900 °C. The influence of sintering and pressing aids on density was also investigated. Electrical properties were measured. DC electrical conductivity was about 8•10-4 S/m at 845 K. Open circuit voltage measurements in wet hydrogen...
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Development of beltless respiration and heartbeat sensor based on flexible piezoelectric film
PublikacjaThe main goal of this work is to report initial development on a respiration and heartbeat measurement sensor that can be used in continuous monitoring conditions at a minimal impact on the patient. General description of the sensor, consisting of a PVDF film and the bonding layer, is given. Open-circuit voltage generated by the sensor is estimated by analytical and numerical calculations. Analog and digital interface used to extract...