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Molecular properties with dual basis set methods
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublikacjaWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Trim Optimisation - Theory and Practice
PublikacjaForce Technology has been working intensively with trim optimisation tests for almost last 10 years. Focus has primarily been put on the possible power savings and exhaust gases reduction. This paper describes the trim optimisation process for a large cargo vessel. The physics behind changed propulsive power is described and the analyses in order to elaborate the optimum trimmed conditions are presented. Different methods for prediction...
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Kamila Kokot-Kanikuła mgr
OsobyKamila Kokot-Kanikuła pracuje w Bibliotece Politechniki Gdańskiej w Sekcji Budowy Zbiorów Cyfrowych i Multimedialnych na stanowisku starszego bibliotekarza. Jest absolwentką Instytutu Historycznego oraz Informacji Naukowej i Bibliotekoznawstwa na Uniwersytecie Wrocławskim. Główne kierunki zainteresowań to starodruki, biblioteki cyfrowe, repozytoria instytucjonalne, Otwarte Zasoby Edukacyjne, Open Access i Open Data. W bibliotece...
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Rapid multi-objective design optimisation of compact microwave couplers by means of physics-based surrogates
PublikacjaThe authors introduce a methodology for fast multi-objective design optimisation of miniaturised microwave couplers. The approach exploits the surrogate-based optimisation paradigm with an underlying low-fidelity model constructed from an equivalent circuit of the structure under consideration, corrected through implicit and frequency space mapping. A fast prediction tool obtained this way is subsequently optimised by a multi-objective...
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Two-criteria optimisation problem for ventral hernia repair
PublikacjaTwo-criteria optimisation problem related to laparoscopic ventral hernia repair is formulated in this paper. An optimal implant from a given set and its orientation is sought. The implant is subjected to kinematic extortions due to a patient’s body movement and intra-abdominal pressure. The first criterion of the optimisation problem deals with the reaction force in the implant fastener, while the deflection of the implant constitutes...
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Domain segmentation for low-cost surrogate-assisted multi-objective design optimisation of antennas
PublikacjaAbstract: Information regarding the best possible design trade-offs of an antenna structure can be obtained through multiobjective optimisation (MO). Unfortunately, MO is extremely challenging if full-wave electromagnetic (EM) simulation models are used for performance evaluation. Yet, for the majority of contemporary antennas, EM analysis is the only tool that ensures reliability. This study introduces a procedure for accelerated...
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Reduced-cost electromagnetic-driven optimisation of antenna structures by means of trust-region gradient-search with sparse Jacobian updates
PublikacjaNumerical optimisation plays more and more important role in the antenna design. Because of lack of design-ready theoretical models, electromagnetic (EM)-simulation-driven adjustment of geometry parameters is a necessary step of the design process. At the same time, traditional parameter sweeping cannot handle complex topologies and large number of design variables. On the other hand, high computational cost of the conventional...
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Low-fidelity model considerations for simulation-based optimisation of miniaturised wideband antennas
PublikacjaHere, variable-fidelity electromagnetic (EM)-based design optimisation of miniaturised antennas is discussed. The authors focus on an appropriate selection of discretisation density of the low-fidelity EM model, which results in good performance of the optimisation algorithm in terms of its computational complexity and reliability. Trust-region gradient search with low-fidelity model corrected by means of non-linear frequency scaling...
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Framework of an Evolutionary Multi-Objective Optimisation Method for Planning a Safe Trajectory for a Marine Autonomous Surface Ship
PublikacjaThis paper represents the first stage of research into a multi-objective method of planning safe trajectories for marine autonomous surface ships (MASSs) involved in encounter situations. Our method applies an evolutionary multi-objective optimisation (EMO) approach to pursue three objectives: minimisation of the risk of collision, minimisation of fuel consumption due to collision avoidance manoeuvres, and minimisation of the extra...
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Bandwidth-size design trade-offs for compact spline-parameterised patch couplers by means of electromagnetic-driven multi-objective optimisation
PublikacjaBroad bandwidth and small size are the key performance figures for contemporary microwave couplers. These requirements are conflicting, i.e. improvement of one generally leads to degradation of the other assuming fixed topology of the circuit at hand. From a designer's perspective, the knowledge about available design trade-offs is indispensable as it permits for tailoring the circuit for particular applications as well as comparing...
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The Discrete-Continuous, Global Optimisation of an Axial Flow Blood Pump
PublikacjaThis paper presents the results of the discrete-continuous optimisation of an axial flow blood pump. Differential evolution (DE) is used as a global optimisation method in order to localise the optimal solution in a relatively short time. The whole optimisation process is fully automated. This also applies to geometry modelling. Numerical simulations of the flow inside the pump are performed by means of the Reynolds-Average Navier-Stokes...
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OPTIMISING RIG DESIGN FOR SAILING YACHTS WITH EVOLUTIONARY MULTIOBJECTIVE ALGORITHM
PublikacjaThe paper presents a framework for optimising a sailing yacht rig using Multi-objective Evolutionary Algorithms and for filtering obtained solutions by means of a Multi-criteria Decision Making method. A Bermuda sloop with discontinuous rig is taken under consideration as a model rig configuration. It has been decomposed into its elements and described by a set of control parameters to form a responsive model which can be used...
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Shape Optimisation of Kaplan Turbine Blades Using Genetic Algorithms
PublikacjaThis monograph is a comprehensive guide to a method of blade profile optimisation for Kaplan-type turbines. This method is based on modelling the interaction between rotor and stator blades. Additionally, the shape of the draft tube is investigated. The influence of the periodic boundary condition vs. full geometry is also discussed. Evolutionary algorithms (EA) are used as an optimisation method together with artificial neural...
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Rotor Blade Geometry Optimisation in Kaplan Turbine
PublikacjaThe paper presents the description of method and results of rotor blade shape optimisation. The rotor blading constitutes a part ofturbine flow path. Optimisation consists in selection of the shape that minimises ratio of polytrophic loss. Shape of the blade isdefined by the mean camber line and thickness of the airfoil. Thickness is distributed around the camber line based on the ratio ofdistribution. Global optimisation was done...
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Discrete-continuous optimisation of an axial flow blood pump
PublikacjaThis paper presents results of discrete-continuous optimisation of an axial flow blood pump. Evolution Strategies (ES) are used as a global optimisation method in order to localise the optimal solution in relatively short time. The whole optimisation process is fully automated. This also applies to geometry modelling. Numerical simulations of the flow inside the pump is performed by means of the Reynolds-Average Navier-Stokes...
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Computationally-efficient design optimisation of antennas by accelerated gradient search with sensitivity and design change monitoring
PublikacjaElectromagnetic (EM) simulation tools are of primary importance in the design of contemporary antennas. The necessity of accurate performance evaluation of complex structures is a reason why the final tuning of antenna dimensions, aimed at improvement of electrical and field characteristics, needs to be based on EM analysis. Design automation is highly desirable and can be achieved by coupling EM solvers with numerical optimisation...
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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...
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Local response surface approximations and variable-fidelity electromagnetic simulations for computationally efficient microwave design optimisation
PublikacjaIn this study, the authors propose a robust and computationally efficient algorithm for simulation-driven design optimisation of microwave structures. Our technique exploits variable-fidelity electromagnetic models of the structure under consideration. The low-fidelity model is optimised using its local response surface approximation surrogates. The high-fidelity model is refined by space mapping with polynomial interpolation of...
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Reliable low-cost surrogate modeling and design optimisation of antennas using implicit space mapping with substrate segmentation
PublikacjaAbstract: In this work, a reliable methodology for fast simulation-driven design optimisation of antenna structures is proposed. The authors’ approach exploits implicit space mapping (ISM) technology. To adopt it for handling antenna structures, they introduce substrate segmentation with separate dielectric permittivity value assigned for each segment as ISM preassigned parameters. At the same time, the coarse model for space mapping...