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Search results for: COMPUTATIONAL MODELING
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Development of a spray-ejector condenser for the use in a negative CO2 emission gas power plant
PublicationOne promising solution for developing low-emission power technologies is using gaseous fuel combustion in pure oxygen when the exhaust gas mixture is composed of H2O and CO2, and where CO2 is separated after steam condensation. The paper presents the results of computational analyses providing to the Spray-Ejector Condenser (SEC) development, which is one of the crucial components of the negative CO2 gas power plant (nCO2PP) cycle...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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CFD-based evaluation of current-carrying capacity of power cables installed in free air
PublicationEvaluation of current-carrying capacity of power cables and selection of cross-sectional area of their conductors are mainly performed in accordance with requirements of EN, IEC or IEEE standards. However, these standards do not provide all methods of cables installation and location which occur in practice. Thus, in some cases, performance of advanced modeling of various thermal phenomena, affecting power cables current-carrying...
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A Perspective on Fast-SPICE Simulation Technology
PublicationThis chapter presents an introduction to the area of accelerated transistor-level (‘fast-SPICE’) simulation for automated verification and characterization of integrated circuits (ICs) from technologist’s perspective. It starts with outlining goals, expectations and typical usage models for fast-SPICE simulators, stressing how they differ from regular SPICE tools. It continues with presenting and classifying core technologies typically...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublicationBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Expedited EM-Driven Design of Miniaturized Microwave Hybrid Couplers Using Surrogate-Based Optimization
PublicationMiniaturization 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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Simulation-driven design of compact ultra-wideband antenna structures
PublicationPurpose–The purpose of this paper is to investigate strategies and algorithms for expedited designoptimization and explicit size reduction of compact ultra-wideband (UWB) antennas.Design/methodology/approach–Formulation of the compact antenna design problem aiming atexplicit size reduction while maintaining acceptable electrical performance is presented. Algorithmicframeworks are described suitable for handling various design situations...
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Hydrodynamic reanalysis of currents in the Baltic Sea using the PM3D model
Open Research DataThe dataset contains the results of numerical modeling of currents in the Baltic Sea since 1998. A long-term reanalysis was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997).
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SIMPLIFIED MODELING OF STRESS AND DEFLECTION LIMIT STATES OF UNDERGROUND TANKS
PublicationFuel tanks are designed with regard to standard actions and operating conditions. The work analyses the impact of corrosion and other means to variation of stresses and deformation of a horizontal underground tank shell. The computations are preliminary. Due to the long computational time of the entire tank the analysis is restricted to its part only. The full analysis is bound to assess structural reliability, further allowing...
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Reliable Multi-Stage Optimization of Antennas for Multiple Performance Figures in Highly-Dimensional Parameter Spaces
PublicationDesign of modern antenna structures needs to account for multiple performance figures and geometrical constraints. Fulfillment of these calls for the development of complex topologies described by a large number of parameters. EM-driven tuning of such designs is mandatory yet immensely challenging. In this letter, a new framework for multi-stage design optimization of multi-dimensional antennas with respect to several performance...
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Flow Process Models for Pipeline Diagnosis
PublicationThis chapter examines the problem of modeling and parameterization of the transmission pipeline flow process. First, the base model for discrete time is presented, which is a reference for other developed models. Then, the diagonal approximation (AMDA) method is proposed, in which the tridiagonal sub-matrices of the recombination matrix are approximated by their diagonal counterparts, which allows for a simple determination of...
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The efficiency of turbomachinery in the zero-and three-dimensional approaches
PublicationEfficiency of turbomachinery is usually defined using an isentropic process. This approach provides a reliable reference point only when pressure and temperature measurements are available, e.g. at the casing inlet and outlet. In the case of a single stage internal efficiency determination the reference point is difficult. Computational fluid dynamics allows for an exact calculation of values of losses occurring in a turbine...
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Identification of ship’s hull mathematical model with numerical methods
PublicationThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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Application of PL-Grid Platform for Modeling of the Selected Acoustic Phenomena
PublicationDomain grids are specific computational environments, developed within the PLGrid Plus project. For the Acoustic domain grid two supercomputer grid based services were prepared. Dedicated software consists of the outdoor sound propagation module and psychoacoustical noise dosimeter. The results are presented in a form of maps of sound level and Temporary Threshold Shift (TTS) values, therefore the services may play an informative...
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Quality Modeling in Grid and Volunteer-Computing Systems
PublicationA model of computational quality in large-scale computing systems was presented in the previous chapter of this book. This model describes three quality attributes: performance, reliability and energy efficiency. We assumed that all processes in the system are incessantly ready to perform calculations and that communication between the processes occurs immediately. These assumptions are not true for grid and volunteer computing...
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Low-Cost Yield-Driven Design of Antenna Structures Using Response-Variability Essential Directions and Parameter Space Reduction
PublicationQuantifying the effects of fabrication tolerances and uncertainties of other types is fundamental to improve antenna design immunity to limited accuracy of manufacturing procedures and technological spread of material parameters. This is of paramount importance especially for antenna design in the industrial context. Degradation of electrical and field properties due to geometry parameter deviations often manifests itself as, e.g.,...
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Rapid Yield Optimization of Miniaturized Microwave Passives by Response Features and Variable-Fidelity EM Simulations
PublicationThe operation of high-frequency devices, including microwave passive components, can be impaired by fabrication tolerances but also incomplete knowledge concerning operating conditions (temperature, input power levels) and material parameters (e.g., substrate permittivity). Although the accuracy of manufacturing processes is always limited, the effects of parameter deviations can be accounted for in advance at the design phase...
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Constrained multi-objective optimization of compact microwave circuits by design triangulation and pareto front interpolation
PublicationDevelopment of microwave components is an inherently multi-objective task. This is especially pertinent to the design closure stage, i.e., final adjustment of geometry and/or material parameters carried out to improve the electrical performance of the system. The design goals are often conflicting so that the improvement of one normally leads to a degradation of others. Compact microwave passives constitute a representative case:...
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Expedited Metaheuristic-Based Antenna Optimization Using EM Model Resolution Management
PublicationDesign of modern antenna systems heavily relies on numerical opti-mization methods. Their primary purpose is performance improvement by tun-ing of geometry and material parameters of the antenna under study. For relia-bility, the process has to be conducted using full-wave electromagnetic (EM) simulation models, which are associated with sizable computational expendi-tures. The problem is aggravated in the case of global optimization,...
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Globalized Parametric Optimization of Microwave Passive Components Using Simplex-Based Surrogates
PublicationOptimization-based parameter adjustment involving full-wave electromagnetic (EM) simulation models is a crucial stage of present-day microwave design process. In fact, rigorous optimization is the only reliable mean permitting to simultaneously handle multiple geometry/material parameters, objectives, and constraints. Unfortunately, EM-driven design is a computationally intensive endeavor. While local tuning is usually manageable,...
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High-Efficacy Global Optimization of Antenna Structures by Means of Simplex-Based Predictors
PublicationDesign of modern antenna systems has become highly dependent on computational tools, especially full-wave electromagnetic (EM) simulation models. EM analysis is capable of yielding accurate representation of antenna characteristics at the expense of considerable evaluation time. Consequently, execution of simulation-driven design procedures (optimization, statistical analysis, multi-criterial design) is severely hindered by the...
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Long-term hindcast simulation of sea ice in the Baltic Sea
Open Research DataThe data set contains the results of numerical modeling of sea ice over a period of 50 years (1958-2007) in the Baltic Sea. A long-term hindcast simulation was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). A numerical dynamic-thermodynamic model...
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Hydrodynamic reanalysis of ice conditions in the Baltic Sea using the PM3D model
Open Research DataThe dataset contains the results of numerical modeling of sea ice in the Baltic Sea since 1998. A long-term reanalysis was performed using the three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997). A numerical dynamic-thermodynamic model of sea ice (Herman et al. 2011)...
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Performance Modeling and Prediction of Real Application Workload in a Volunteer-based System
PublicationThe goal of this paper is to present a model that predicts the real workload placed on a volunteer based system by an application, with incorporation of not only performance but also availability of volunteers. The application consists of multiple data packets that need to be processed. Knowing the computational workload demand of a single data packet we show how to estimate the application workload in a volunteer based system. Furthermore,...
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Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
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Experiments and numerical modeling of meat and bone meal pyrolysis in a rotary kiln
PublicationThe paper presents aspects of modelling the pyrolysis of meat and bone meal (MBM) in a rotary kiln. The pyrolysis of MBM produces a solid fraction which can be used as a fuel, a liquid fraction with potential chemical applications and a low heating value gas. The meat and bone meal pyrolysis was carried out at the temperature of 900 oC. Main features of experiments and numerical model of the pyrolysis were described. The model...
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On Nature-Inspired Design Optimization of Antenna Structures Using Variable-Resolution EM Models
PublicationNumerical optimization has been ubiquitous in antenna design for over a decade or so. It is indispensable in handling of multiple geometry/material parameters, performance goals, and constraints. It is also challenging as it incurs significant CPU expenses, especially when the underlying computational model involves full-wave electromagnetic (EM) analysis. In most practical cases, the latter is imperative to ensure evaluation reliability....
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A Novel Approach to Fully Nonlinear Mathematical Modeling of Tectonic Plates
PublicationThe motion of the Earth's layers due to internal pressures is simulated in this research with an efficient mathematical model. The Earth, which revolves around its axis of rotation and is under internal pressure, will change the shape and displacement of the internal layers and tectonic plates. Applied mathematical models are based on a new approach to shell theory involving both two and three-dimensional approaches. It is the...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublicationThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Hydrodynamic reanalysis of sea level in the Baltic Sea using the PM3D model
Open Research DataThe data set contains the results of numerical modelling of sea level fluctuations in the Baltic Sea in the Baltic Sea since 1998. A long-term reanalysis was performed using a three-dimensional hydrodynamic model PM3D (Kowalewski and Kowalewska-Kalkowska, 2017), a new version of the M3D model (Kowalewski, 1997).
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A review on application of artificial neural network (ANN) for performance and emission characteristics of diesel engine fueled with biodiesel-based fuels
PublicationBiodiesel has been emerging as a potential and promising biofuel for the strategy of reducing toxic emissions and improving engine performance. Computational methods aiming to offer numerical solutions were inevitable as a study methodology which was sometimes considered the only practical method. Artificial neural networks (ANN) were data-processing systems, which were used to tackle many issues in engineering and science, especially...
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublicationThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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Design centering of compact microwave components using response features and trust regions
PublicationFabrication tolerances, as well as uncertainties of other kinds, e.g., concerning material parameters or operating conditions, are detrimental to the performance of microwave circuits. Mitigating their impact requires accounting for possible parameter deviations already at the design stage. This involves optimization of appropriately defined statistical figures of merit such as yield. Alt-hough important, robust (or tolerance-aware)...
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Creating dynamic maps of noise threat using pl-grid infrastructure; materiały konferencyjne
PublicationThis paper presents functionality and operation results of the system for creating dynamic maps of noise thread with the use of the PL-Grid infrastructure integrated with distributed sensors network for measuring, modeling and rendering noise level distribution. The work presented provides a demonstration of the services being prepared within the PLGrid Plus project. Specific computational environments, so called domain grids,...
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Modeling the debonding process of osseointegrated implants due to coupled adhesion and friction
PublicationCementless implants have become widely used for total hip replacement surgery. The long-term stability of these implants is achieved by bone growing around and into the rough surface of the implant, a process called osseointegration. However, debonding of the bone–implant interface can still occur due to aseptic implant loosening and insufficient osseointegration, which may have dramatic consequences. The aim of this work is to...
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Data-Driven Modeling of Mechanical Properties of Fiber-Reinforced Concrete: A Critical Review
PublicationFiber-reinforced concrete (FRC) is extensively used in diverse structural engineering applications, and its mechanical properties are crucial for designing and evaluating its performance. The compressive, flexural, splitting tensile, and shear strengths of FRCs are among the most important attributes, which have been discussed more extensively than other properties. The accurate prediction of these properties, which are required...
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Inverse Modeling and Optimization of CSRR-based Microwave Sensors for Industrial Applications
PublicationDesign optimization of multivariable resonators is a challenging topic in the area of microwave sensors for industrial applications. This paper proposes a novel methodology for rapid re-design and parameter tuning of complementary split-ring resonators (CSRRs). Our approach involves inverse surrogate models established using pre-optimized resonator data as well as analytical correction techniques to enable rapid adjustment of geometry...
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Impact of trajectory simplification methods on modeling carbon dioxide emissions from ships
PublicationModels of ship fuel consumption and emissions play an essential role in estimating global shipping’s greenhouse gas emissions. They are also widely used for verification of reported CO2 emissions for systems like EU MRV (Monitoring, Reporting and Verification) or IMO DCS (Data Collection System). Such models achieve high accuracy using historical spatiotemporal information about each ship from AIS data. However, this approach requires substantial...
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Ireneusz Kreja dr hab. inż.
PeopleGraduated from the mathematical class at the Nicolaus Copernicus High School in Gdańsk (1974). Master of Sciences in Civil Engineering after studies at Gdansk University of Technology (GUT), Poland (1974-1979). Since 1979 became an employee of the GUT. In 1989 earned a Ph.D. degree in Civil Engineering (with grade "Summa cum Laude") from the GUT. In 2008 obtained a D. Sc. (Habilitation) degree in Civil Engineering (with grade...
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Performance-driven yield optimization of high-frequency structures by kriging surrogates
PublicationUncertainty quantification is an important aspect of engineering design, as manufacturing toler-ances may affect the characteristics of the structure. Therefore, quantification of these effects is in-dispensable for adequate assessment of the design quality. Toward this end, statistical analysis is performed, for reliability reasons, using full-wave electromagnetic (EM) simulations. Still, the computational expenditures associated...
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Creating Dynamic Maps of Noise Threat Using PL-Grid Infrastructure
PublicationThe paper presents functionality and operation results of a system for creating dynamic maps of acoustic noise employing the PL-Grid infrastructure extended with a distributed sensor network. The work presented provides a demonstration of the services being prepared within the PLGrid Plus project for measuring, modeling and rendering data related to noise level distribution in city agglomerations. Specific computational environments,...
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Low-Cost Surrogate Modeling of Miniaturized Microwave Components Using Nested Kriging
PublicationIn the paper, a recently reported nested kriging methodology is employed for modeling of miniaturized microwave components. The approach is based on identifying the parameter space region that contains high-quality designs, and, subsequently, rendering the surrogate in this subset. The results obtained for a miniaturized unequal-power-split rat-race coupler and a compact three-section impedance transformer demonstrate reliability...
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Iterative Global Sensitivity Analysis Algorithm with Neural Network Surrogate Modeling
PublicationGlobal sensitivity analysis (GSA) is a method to quantify the effect of the input parameters on outputs of physics-based systems. Performing GSA can be challenging due to the combined effect of the high computational cost of each individual physics-based model, a large number of input parameters, and the need to perform repetitive model evaluations. To reduce this cost, neural networks (NNs) are used to replace the expensive physics-based...
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Modeling of Passive and Forced Convection Heat Transfer in Channels with Rib Turbulators
PublicationThe main goal of the research presented in this paper was the experimental and numerical analysis of heat enhancement and aerodynamic phenomena during air flow in a channel equipped with flow turbulators in the form of properly configured ribs. The use of ribs intensifies the heat transfer and at the same time increases not only the flow resistance but also the energy costs. Therefore, designing modern heat exchangers with optimal...
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Tolerance Optimization of Antenna Structures by Means of Response Feature Surrogates
PublicationFabrication tolerances and other types of uncertainties, e.g., the lack of precise knowledge of material parameters, have detrimental effects on electrical and field performance of antenna systems. In the case of input characteristics these are particularly noticeable for narrow- and multi-band antennas where deviations of geometry parameters from their nominal values lead to frequency shifts of the operating frequency bands. Improving...
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Preparation and characterization of dummy-template molecularly imprinted polymers as potential sorbents for the recognition of selected polybrominated diphenyl ethers
PublicationThe main aim of this work was to conduct the preliminary/basic research concerning the preparation process of a new dummy molecularly imprinted polymer (DMIP) materials. Developed DMIPs were proposed as a sorption material in solid-phase extraction (SPE) technique for recognition of selected low mass polybrominated diphenyl ethers (PBDEs) e PBDE-47 and PBDE-99. Four new DMIPs were synthesized employing bulky polymerization technique...
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Improved-Efficacy EM-Based Antenna Miniaturization by Multi-Fidelity Simulations and Objective Function Adaptation
PublicationThe growing demands for integration of surface mount design (SMD) antennas into miniatur-ized electronic devices have been continuously imposing limitations on the structure dimen-sions. Examples include embedded antennas in applications such as on-board devices, picosatel-lites, 5G communications, or implantable and wearable devices. The demands for size reduction while ensuring a satisfactory level of the electrical and field...
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Numerical Methods
e-Learning CoursesNumerical Methods: for Electronics and Telecommunications students, Master's level, semester 1 Instructor: Michał Rewieński, Piotr Sypek Course description: This course provides an introduction to computational techniques for the simulation and modeling of a broad range of engineering and physical systems. Concepts and methods discussed are widely illustrated by various applications including modeling of integrated circuits,...
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IFIP WG8.1 Working Conference on the Practice of Enterprise Modeling
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