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Wyniki wyszukiwania dla: SIMULATION, NS2
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublikacjaResearch on inhibition of tyrosinase enzyme has attained significant value, because tyrosinase inhibitors have potential applications in medicine, cosmetics (as whitening agents) and in agriculture (as bioinsecticides). Determination and elucidation of new tyrosinase inhibitors are not only beneficial for medical purposes, but their promising applications in improving food quality and nutritional...
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A study on microcrack monitoring in concrete: discrete element method simulations of acoustic emission for non-destructive diagnostics
PublikacjaThe research is focused on the monitoring of fracture evolution in concrete beams under three-point bending using the acoustic emission technique and the discrete element method. The main objective of the study was to numerically and experimentally investigate the mechanism behind the generation of elastic waves during acoustic emission events and their interaction with micro- and macro-cracking in concrete beams under monotonic...
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UNRES-GPU for Physics-Based Coarse-Grained Simulations of Protein Systems at Biological Time- and Size-Scales
PublikacjaThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Prediction of cast-in-place concrete strength of the extradosed bridge deck based on temperature monitoring and numerical simulations
PublikacjaThe work is devoted to the implementation of a monitoring system for high performance concrete embedded in the span of an extradosed bridge deck using a modified maturity method augmented by numerical simulations conducted by the authors’ FEM code. The paper presents all research stages of bridge construction and considers the conclusions drawn from the results of laboratory tests, field measurements, and numerical calculations....
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublikacjaBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
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Reduced-Cost Microwave Design Closure by Multi-Resolution EM Simulations and Knowledge-Based Model Management
PublikacjaParameter adjustment through numerical optimization has become a commonplace of contemporary microwave engineering. Although circuit theory methods are ubiquitous in the development of microwave components, the initial designs obtained with such tools have to be further tuned to improve the system performance. This is particularly pertinent to miniaturized structures, where the cross-coupling effects cannot be adequately accounted...
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Expedited Gradient-Based Design Closure of Antennas Using Variable-Resolution Simulations and Sparse Sensitivity Updates
PublikacjaNumerical optimization has been playing an increasingly important role in the design of contemporary antenna systems. Due to the shortage of design-ready theoretical models, optimization is mainly based on electromagnetic (EM) analysis, which tends to be costly. Numerous techniques have evolved to abate this cost, including surrogate-assisted frameworks for global optimization, or sparse sensitivity updates for speeding up local...
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Chip suction system in circular sawing machine: empirical research and computational fluid dynamics numerical simulations
PublikacjaThe experimental analysis of the wood chip removing system during its redesigning in the existing sliding table circular saw and computational fluid dynamic (CFD) numerical simulations of the air flow process is presented in the paper. The attention was focused on the extraction hood and the bottom shelter of the actual existing system. The main aim was to perform experimental research on the pressure distribution inside the...
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Molecular dynamics simulations of the affinity of chitin and chitosan for collagen: the effect of pH and the presence of sodium and calcium cations
PublikacjaChitosan and chitin are promising biopolymers used in many areas including biomedical applications, such as tissue engineering and viscosupplementation. Chitosan shares similar properties with hyaluronan, a natural component of synovial fluid, making it a good candidate for joint disease treatment. The structural and energetic consequences of intermolecular interactions are crucial for understanding the biolubrication phenomenon...
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Broadening the scope of measurement and analysis of vibrations of an organ pipe employing intensity probe, simulations, and highspeed camera
PublikacjaThis paper shows an integrated approach to measure, analyze, and model phenomena occurring in an organ pipe driven by pressurized air. The aim of this paper is two-fold, i.e., to measure the pressure signal and the intensity field around the mouth by means of an intensity probe and to visualize and observe the motion of the air jet, which represents the excitation mechanism of the system. This is realized through two techniques,...
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Full-scale CFD simulations for the determination of ship resistance as a rational, alternative method to towing tank experiments
PublikacjaResults of ship resistance predictions obtained from towing tank experiments are affected by the method used to extrapolate from a model scale to a ship scale. Selection of method to determine a form factor is subjective and the extrapolation method is accurate for typical hull forms. For innovative hull forms the proper method for calculating the form factor is questionable. Moreover, the influence of the extrapolation method...
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INDUSTRIAL CLUSTERS AS A DEVICE OF STIMULATION OF COOPERATION AND INNOVATION OF SMALL AND MEDIUM-SIZED ENTERPRISES IN THE AREA OF BIO-ECONOMY
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3D DEM simulations of monotonic interface behaviour between cohesionless sand and rigid wall of different roughness
PublikacjaArtykuł omawia wyniki metodą elementów dyskretnych (DEM) dotyczace zachowania się strefy kontaktu między bezkohezyjnym piaskiem a sztywną scianą o różnej szorstkości. Obliczenia wykonano dla dla różnej wysokości, nachylenia i rozstawu rowków wzdłuż sciany, które symulowały jej szorstkość. W symulacjach zmieniano dodatkowo ciśnienie pionowe i początkowy wskaźnik porowatosci piasku. Nacisk położono na wpływ szorstkości na mobilizowany...
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Simulations of hydro-fracking in rock mass at meso-scale using fully coupled DEM/CFD approach
PublikacjaThe paper deals with two-dimensional (2D) numerical modelling of hydro-fracking (hydraulic fracturing) in rocks at the meso-scale. A numerical model was developed to characterize the properties of fluid-driven fractures in rocks by combining the discrete element method (DEM) with computational fluid dynamics (CFD). The mechanical behaviour of the rock matrix was simulated with DEM and the behaviour of the fracturing fluid flow...
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Simulating coherent light propagation in a random scattering materials using the perturbation expansion
PublikacjaMultiple scattering of a coherent light plays important role in the optical metrology. Probably the most important phenomenon caused by multiple scattering are the speckle patterns present in every optical imaging method based on coherent or partially coherent light illumination. In many cases the speckle patterns are considered as an undesired noise. However, they were found useful in various subsurface imaging methods such as...
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Performance of isotropic constitutive laws in simulating failure mechanisms in scaled RC beams
PublikacjaResults of numerical calculations of reinforced concrete (RC) beams are presented. Based on experimental results on longitudinally reinforced specimens of different sizes and shapes are investigated. Four different continuum constitutive laws with isotropic softening are used: one defined within continuum damage mechanics, an elasto-plastic with the Rankine criterion in tension and the Drucker-Prager criterion in compression, a...
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Chromatografia oddziaływań hydrofilowych HILIC/NH2 w rozdzielaniu mono i disacharydów oraz badaniu cukrowych frakcji eluatu z rozdzielania składników serwatki mleka
PublikacjaWysokosprawna chromatografia oddziaływań hydrofilowych - HILIC - HPLC, to alternatywne - w stosunku do warunków faz odwróconych RP - HPLC - warunki rozdzielania polarnych, rozpuszczalnych w wodzie składników mieszanin. Wykorzystywanie w warunkach HILIC jednocześnie kilku mechanizmów rozdzielenia, umożliwia rozdzielenie mieszanin polarnych składników, trudnych, albo niemożliwych do rozdzielania w warunkach RP, w...
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The effect of anthropogenic activity on BTEX, NO2, SO2, and CO concentrations in urban air of the spa city of Sopot and medium-industrialized city of Tczew located in North Poland
PublikacjaThe major goal of the present study is to compare the air quality of two urban locations situated in Northern Poland – the spa City of Sopot and the medium-industrialized city of Tczew using chemometric methods. As a criterion for the assessment of atmospheric air quality, measurements of benzene, toluene, ethylbenzene and total xylenes were used (collected from atmospheric air using diffusion-type passive samplers) as well as...
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Evaluating Security and Resilience of Critical Networked Infrastructures after Stuxnet
PublikacjaThe chapter presents the current configuration of the simulation environment for the evaluations of the security and resilience of critical networked infrastructures, which enables simulations of Stuxnet-like attacks. The configuration includes new features added to the MAlSim - Mobile Agent Malware Simulator after the advent of Stuxnet in reference to the experiments aiming at the security evaluation of a power plant which we...
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Jaroslaw Spychala dr
OsobyOprócz bardzo dobrego wykształcenia osoba posiada również wieloletnie doświadczenie zawodowe, które jest poświadczeniem tego, że potrafi wykorzystać swoją wiedzę teoretyczną w praktycznych działaniach. Doświadczenie zawodowe jest bardzo bogate i rozbudowane. Ze względu na nabyte całkiem nowe umiejętności zwiększa się atrakcyjność doświadczonego pracownika. Są to między innymi kreatywne myślenie, zorientowanie na cel, odporność...
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Early stages of condensation from the gaseous phase in a H2O-N2 system: a molecular dynamics study.
PublikacjaW pracy przedstawiono wyniki symulacji wczesnych etapów kondensacji z fazy gazowej w układzie xH2O (1-x)N2. Przeanalizowano całkowitą liczbę klastrów, średni rozmiar klastra i rozmiar klastra maksymalnego w funkcji czasu.
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Krzysztof Jan Kaliński prof. dr hab. inż.
OsobyUkończył studia magisterskie na Wydziale Mechanicznym Technologicznym (MT) PG (1980, dyplom z wyróżnieniem). Stopień doktora otrzymał na Wydziale Budowy Maszyn PG (1988, praca wyróżniona), stopień doktora habilitowanego na Wydziale Mechanicznym (WM) PG (2002, praca wyróżniona), a tytuł profesora nauk technicznych – w 2013 r. Od 2015 r. jest profesorem zwyczajnym, a od 2019 r. - profesorem. Obszar jego badań naukowych obejmuje:...
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Advanced Monte Carlo simulator of the polarization-sensitive optical coherence tomography systems
PublikacjaSimulations of the optical coherence tomography (OCT) systems using the Monte Carlo method is a widely explored research area. However, there are several difficulties that need to be overcome in order to properly model the OCT imaging with the Monte Carlo algorithm. First of all, the temporal and the spatial coherence of the scattered light need to be considered, since OCT is based on the interference phenomenon. For the same reason,...
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Evaluation of Open Source SIEM for Situation Awareness Platform in the Smart Grid Environment
PublikacjaThe smart grid as a large-scale system of systems has an exceptionally large surface exposed to cyber-attacks, including highly evolved and sophisticated threats such as Advanced Persistent Threats (APT) or Botnets. When addressing this situation the usual cyber security technologies are prerequisite, but not sufficient. The smart grid requires developing and deploying an extensive ICT infrastructure that supports significantly...
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A system of visualization of operational situation on digital maps for mobile units of the Border Guards
PublikacjaBorder guards have to be equipped with technology enabling a communication, an acquisition, an exchange, and a visualization of data in different operational situations. This also applies to the staff, which is located on mobile units such as ground vehicles, aircrafts and vessels. Within the project realized for the Polish Border Guard and financed by The National Centre for Research and Development, a system was designed and...
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THE SITUATION OF WOMEN IN THE POLISH LABOUR MARKET IN THE LIGHT OF CHANGES IN THE PENSION SECURITY SYSTEM
PublikacjaThe aim of the study is to examine the opinion of a group of women on their economic activity and decisions related to retirement. The first part of the article reviews previous research related to the economic activity of older people with a special focus on women. In the empirical part of the article, women’s opinions on issues related to retirement were analyzed. The research was carried out in 2016 on a sample of 45 women,...
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DOOCS server and client application for FPGA-based TESLA cavity controller and simulator
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Current epidemiological situation in the context of inclusion body hepatitis in poultry flocks in Poland
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The impact of emigration of Polish employees to other countries of the EU on the situation of employers in Poland
PublikacjaW opracowaniu próbowano przedstawić skutki migracji młodych ludzi po wejściu Polski do UE na polski rynek pracy. Wskazywano też jakie kroki należałoby podejmować, aby pomniejszyć te negatywne skutki.
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ANALYZING TITLES OF ECONOMY NEWS TO UNDERSTAND IMPACT OF COVID-19 ON ECONOMICAL SITUATION
PublikacjaCovid-19 affected the whole world in a short time, causing serious panic and uncertainty in society. Because it was an unprecedented disease, the medical community has worked hard to find out how to deal with it, and it continues to do so. The rapid spread of the disease, the shortage of hospital capacity and the increase in deaths drove the whole world to a closure, so to speak. In this time period, life in the world came to a...
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Project and Prototype of Mobile Application for Monitoring the Global COVID-19 Epidemiological Situation
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Income situation of rural households in Poland between 2007 and 2014 and its effects
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Autonomous Control of the Underwater Remotely Operated Vehicle in Collision Situation with Stationary Obstacle
PublikacjaThe article considers the problem of autonomous control of the underwater remotely operated vehicle mini Remotely Operated Vehicle (ROV) in a collision situation with a stationary obstacle. The control of the collision avoidance process is presented as a synthesis of fuzzy proportional-differential controllers for the control of distance and orientation concerning the detected stationary obstacle. The control of the submergence...
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The flow of nitrogen into the euphotic zone of the Baltic Proper as a result of the vertical migration of phytoplankton: An analysis of the long-term observations and ecohydrodynamic model simulation
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Impact of cross-section centers estimation on the accuracy of the point cloud spatial expansion using robust M-estimation and Monte Carlo simulation
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Simulation-Based Approach to a More Efficient Handling Strategy for a Container Terminal Storage Yard: Case Study of the Baltic Hub Container Terminal
PublikacjaThe primary objective of this research was to implement a more efficient handling strategy in the container terminal storage yard at the Baltic Hub Container Terminal (BHCT). Following an analysis of the current logistics system associated with starboard-side mooring, an attempt was made to shift the mooring to the port side. Two routing strategies corresponding to the analysed mooring operations were tested using a developed...
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Behawioralne modelowanie i symulacja tranzystorów IGBT w układach energoelektronicznych = Behavioural modeling and simulation of IGBT transistors in power electronics systems
PublikacjaW referacie przedstawiono rezultaty prac nad modelem tranzystora bipolarnego z izolowaną bramką (IGBT), przydatnym w symulacjach układów energoelektronicznych wymagających odwzorowania zarówno stanów ustalonych jak i dynamicznych przy przełączaniu. Rozważono behawioralny model IGBT o reprezentacji za pomocą równań stanu przy wykorzystaniu katalogowych charakterystyk statycznych oraz nieliniowych aproksymacji pojemności pasożytniczych....
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Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
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Symulacja pracy komunalnego ujęcia infiltracyjnego w warunkach dopuszczalnej eksploatacji = Municipal infiltration intake work simulation under the admissible exploatation
PublikacjaW dolinie rzeki Brdy realizowane jest, jako jedno z pierwszych w Polsce, sztuczne ujęcie infiltracyjne. Dopuszczalna eksploatacja ujęcia wynosi 100 000 m3/24 godz. W pracy przedstawiono wyniki obliczeń modelowych pracy ujecia infiltracyjnego przy wykorzystaniu programu Modflow. W wyniku obliczeń otrzymano rzędne swobodnej powierzchni wytworzonej warstwy wodonośnej oraz opracowano bilans wodny krążenia wód podziemnych w rejonie...
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Impact of cross-section centers estimation on the accuracy of the Point cloud spatial expansion using robust M-estimation and Monte Carlo simulation
PublikacjaThe point cloud spatial expansion (PCSE) method creates an alternative form of representing the shape of symmetrical objects and introduces additional descriptive geometric parameters. An important element of the procedure is determining the course of the axis of symmetry of cylindrical objects based on cross-sections of point clouds. Outliers occurring in laser measurements are of great importance in this case. In this study,...
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Derecho Evolving from a Mesocyclone—A Study of 11 August 2017 Severe Weather Outbreak in Poland: Event Analysis and High-Resolution Simulation
PublikacjaThis study documents atmospheric conditions, development, and evolution of a severe weather outbreak that occurred on 11 August 2017 in Poland. The emphasis is on analyzing system morphology and highlighting the importance of a mesovortex in producing the most significant wind damages. A derecho-producing mesoscale convective system (MCS) had a remarkable intensity and was one of the most impactful convective storms in the history...
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Simulation of hybridized nanofluids flowing and heat transfer enhancement via 3-D vertical heated plate using finite element technique
PublikacjaThe present study probed the creation of heat energy and concentrating into Newtonian liquids across vertical 3D-heated plates. The role of the Soret and Dufour theories in concentrating and energy formulas is discussed. The role of hybrid nanoparticles is introduced to illustrate particle efciency in terms of solute and thermal energy. It is removed a viscous dissipation process and a changing magnetic feld. The proposed approach...
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Using Deep Neural Network Methods for Forecasting Energy Productivity Based on Comparison of Simulation and DNN Results for Central Poland—Swietokrzyskie Voivodeship
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Using Deep Neural Network Methods for Forecasting Energy Productivity Based on Comparison of Simulation and DNN Results for Central Poland – Swietokrzyskie Voivodeship
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Evaluation of the influence of the opening pressure of a marine Diesel engine injector on the results of numerical simulation of the working cycle and their comparison with the results of the laboratory experiment
PublikacjaThe article presents the results of a numerical simulation of the working process carried out in a diesel engine. In the applied utility program DIESEL-RK, the laboratory engine Farymann Diesel type D10 was implemented. A selected inoperability of its functional fuel supply system - reduced opening pressure of the injector pinj - was introduced. The values of adequate diagnostic parameters were determined: working gas temperature...
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The CON−H…+NH2 Blue-Shifting H-Bond Stabilizing Effect on Z Secondary Amides and Cyclic System Conformational Rearrangement through an Alkylamine-Chain Migration Pathway
PublikacjaThe paper is focusing on the amide linkage exceptional properties and usage of chemistry (conformational rearrangement, geometrical stereoisomers, spectroscopic blue shift phenomenon, protonation and deprotonation reactions, synthetic scope, and mechanistic implications). Hydrogen-bond-stabilized acylation reactions of a diamine with thioamides or nitriles reveal how substituents influence both the outcome of stereoselectivity...
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Maxillary sinus aeration analysis using computational fluid dynamics
PublikacjaThe maxillary sinus aeration using the computational fluid dynamics (CFD) method based on individual adult patients’ computed tomography (CT) scans were analyzed. The analysis was based on CT images of 4 patients: one with normal nose anatomy and three with nasal septal deviation (NSD) and concha bullosa (CB). The CFD simulation was performed using the Reynolds-Average Simulation approach and turbulence closure based on linear...
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Molecular Simulations Using Boltzmann’s Thermally Activated Diffusion - Implementation on ARUZ – Massively-parallel FPGA-based Machine
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Multi-fidelity EM simulations and constrained surrogate modelling for low-cost multi-objective design optimisation of antennas
PublikacjaIn this study, a technique for low-cost multi-objective design optimisation of antenna structures has been proposed. The proposed approach is an enhancement of a recently reported surrogate-assisted technique exploiting variable-fidelity electromagnetic (EM) simulations and auxiliary kriging interpolation surrogate, the latter utilised to produce the initial approximation of the Pareto set. A bottleneck of the procedure for higher-dimensional...