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Mutually polarizable QM/MM model with in situ optimized localized basis functions
PublikacjaWe extend our recently developed quantum-mechanical/molecular mechanics (QM/MM) approach [Dziedzic et al., J. Chem. Phys. 145, 124106 (2016)] to enable in situ optimization of the localized orbitals. The quantum subsystem is described with ONETEP linear-scaling density functional theory and the classical subsystem – with the AMOEBA polarizable force field. The two subsystems interact via multipolar electrostatics and are fully...
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Destruction of shell structures under the dynamic load on the human skull trauma basis
PublikacjaThe main aim of this work is to investigate patterns of potential orbital bone fractures due to mechanical injuries. The solution of the main problem is followed by analysis of several testing examples having straight correlation with civil engineering structures, in which materials of wide range of stiffness are applied. To solve the main problem, the three-dimensional finite element method (FEM) model of the orbital region has...
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Scale effect in the self-propulsion prediction for Ultra Large Container Ship with contra-rotating propellers
PublikacjaThis article addresses the problem of the scale effect for an Ultra Large Container Ship (ULCS) with a novel twin-crp-pod propulsion system. Twin-crp-pod steering-propulsion arrangement is an innovative solution that gains from three well-known systems: twin-propeller, contra-rotating propellers and pod propulsors. It is expected that applying the twin-crp-pod system to the analysed Ultra Large Container Ship will increase propulsion...
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Improved-Efficacy EM-Driven Optimization of Antenna Structures Using Adaptive Design Specifications and Variable-Resolution Models
PublikacjaOptimization-driven parameter tuning is an essential step in the design of antenna systems. Although in many cases it is still conducted through parametric studies, rigorous numerical methods become a necessity if truly optimum designs are sought for, and the problem intricacies (number of variables, multiple goals, constraints) make the interactive approaches insufficient. The two practical considerations of electromagnetic (EM)-driven...
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Cost-Efficient EM-Driven Size Reduction of Antenna Structures by Multi-Fidelity Simulation Models
PublikacjaDesign of antenna systems for emerging application areas such as the Internet of Things (IoT), fifth generation wireless communications (5G), or remote sensing, is a challenging endeavor. In addition to meeting stringent performance specifications concerning electrical and field properties, the structure has to maintain small physical dimensions. The latter normally requires searching for trade-off solutions because miniaturization...
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Uncertainty Quantification of Additive Manufacturing Post-Fabrication Tuning of Resonator-Based Microwave Sensors
PublikacjaReconfigurability, especially in terms of the ability of adjusting the operating frequency, has become an important prerequisite in the design of modern microwave components and systems. It is also pertinent to microwave sensors developed for a variety of applications such as characterization of material properties of solids or liquids. This paper discusses uncertainty quantification of additive-manufacturing-based post-fabrication...
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A Novel Versatile Decoupling Structure and Expedited Inverse-Model-Based Re-Design Procedure for Compact Single-and Dual-Band MIMO Antennas
PublikacjaMultiple-input multiple-output (MIMO) antennas are considered to be the key components of fifth generation (5G) mobile communications. One of the challenges pertinent to the design of highly integrated MIMO structures is to minimize the mutual coupling among the antenna elements. The latter arises from two sources, the coupling in the free space and the coupling currents propagating on a ground plane. In this paper, an array of...
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Computer-Aided Diagnosis of COVID-19 from Chest X-ray Images Using Hybrid-Features and Random Forest Classifier
PublikacjaIn recent years, a lot of attention has been paid to using radiology imaging to automatically find COVID-19. (1) Background: There are now a number of computer-aided diagnostic schemes that help radiologists and doctors perform diagnostic COVID-19 tests quickly, accurately, and consistently. (2) Methods: Using chest X-ray images, this study proposed a cutting-edge scheme for the automatic recognition of COVID-19 and pneumonia....
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublikacjaCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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On the well posedness of static boundary value problem within the linear dilatational strain gradient elasticity
PublikacjaIn this paper, it is proven an existence and uniqueness theorem for weak solutions of the equilibrium problem for linear isotropic dilatational strain gradient elasticity. Considered elastic bodies have as deformation energy the classical one due to Lamé but augmented with an additive term that depends on the norm of the gradient of dilatation: only one extra second gradient elastic coefficient is introduced. The studied class...
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Design of High-Performance Scattering Metasurfaces through Optimization-Based Explicit RCS Reduction
PublikacjaThe recent advances in the development of coding metasurfaces created new opportunities in realization of radar cross section (RCS) reduction. Metasurfaces, composed of optimized geometries of meta-atoms arranged as periodic lattices, are devised to obtain desired electromagnetic (EM) scattering characteristics. Despite potential benefits, their rigorous design methodologies are still lacking, especially in the context of controlling...
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Architektura a dekonstrukcja. Przypadek Petera Eisenmana i Bernarda Tschumiego
PublikacjaArchitecture and Deconstruction Case of Peter Eisenman and Bernard Tschumi Introduction Towards deconstruction in architecture Intensive relations between philosophical deconstruction and architecture, which were present in the late 1980s and early 1990s, belong to the past and therefore may be described from a greater than...