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Search results for: computational science
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Numerical solution of threshold problems in epidemics and population dynamics
PublicationA new algorithm is proposed for the numerical solution of threshold problems in epidemics and population dynamics. These problems are modeled by the delay-differential equations, where the delay function is unknown and has to be determined from the threshold conditions. The new algorithm is based on embedded pair of continuous Runge–Kutta method of order p = 4 and discrete Runge–Kutta method of order q = 3 which is used for the...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublicationCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublicationBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublicationAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Solving boundary value problems for delay differential equations by a fixed-point method
PublicationOgólne liniowe zagadnienie brzegowe dla nieliniowego układu równań różniczkowych z opóźnieniem jest redukowane do zagadnienia o punkcie stałym odpowiedniego operatora a następnie poszukiwany punkt stały tego operatora jest przybliżany funkcją kawałkami liniową zdefiniowaną poprzez jej wartości w węzłach. Przy odpowiednich założeniach istnienie tego punktu stałego jest równoważne istnieniu tzw. epsilon przybliżonych punktów stałych...
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Toward Mechanosynthesis of Diamondoid Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublicationAccording to K. E. Drexler, advanced mechanosynthesis will employ advanced nanomachines, but advanced nanomachines will themselves be product of advanced mechanosynthesis. This circular relationship must be broken in SPM technology development. In the article, the possibility of use easy available commercial CNT tips to assembly silicon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target class...
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On the Buckling Response of Axially Pressurized Nanotubes Based on a Novel Nonlocal Beam Theory
PublicationIn the present study, the buckling analysis of single-walled carbon nanotubes (SWCNT) on the basis of a new refined beam theory is analyzed. The SWCNT is modeled as an elastic beam subjected to unidirectional compressive loads. To achieve this aim, the new proposed beam theory has only one unknown variable which leads to one equation similar to Euler beam theory and is also free from any shear correction factors. The equilibrium...
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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublicationThe present study investigates the buckling of a thick sandwich plate under the biaxial non-uniform compression using the modified couple stress theory with various boundary conditions. For this purpose, the top and bottom faces are orthotropic graphene sheets and for the central core the isotropic soft materials are investigated. The simplified first order shear deformation theory (S-FSDT) is employed and the governing differential...
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Differential Quadrature Method for Dynamic Buckling of Graphene Sheet Coupled by a Viscoelastic Medium Using Neperian Frequency Based on Nonlocal Elasticity Theory
PublicationIn the present study, the dynamic buckling of the graphene sheet coupled by a viscoelastic matrix was studied. In light of the simplicity of Eringen's non-local continuum theory to considering the nanoscale influences, this theory was employed. Equations of motion and boundary conditions were obtained using Mindlin plate theory by taking nonlinear strains of von Kármán and Hamilton's principle into account. On the other hand, a...
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Analytical predictions for the buckling of a nanoplate subjected to non-uniform compression based on the four-variable plate theory
PublicationIn the present study, the buckling analysis of the rectangular nanoplate under biaxial non-uniform compression using the modified couple stress continuum theory with various boundary conditions has been considered. The simplified first order shear deformation theory (S-FSDT) has been employed and the governing differential equations have been obtained using the Hamilton’s principle. An analytical approach has been applied to obtain...
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Machine-Learning Methods for Estimating Performance of Structural Concrete Members Reinforced with Fiber-Reinforced Polymers
PublicationIn recent years, fiber-reinforced polymers (FRP) in reinforced concrete (RC) members have gained significant attention due to their exceptional properties, including lightweight construction, high specific strength, and stiffness. These attributes have found application in structures, infrastructures, wind power equipment, and various advanced civil products. However, the production process and the extensive testing required for...
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A Review: Structural Shape and Stress Control Techniques and their Applications
PublicationThis review article presents prior studies on controlling shape and stress in flexible structures. The study offers a comprehensive survey of literature concerning the adjustment and regulation of shape, stress, or both in structures and emphasizes such control’s importance. The control of systems is classified into three primary classes: nodal movement control, axial force control, and controlling the two classes concurrently....
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Review of Segmentation Methods for Coastline Detection in SAR Images
PublicationSynthetic aperture radar (SAR) images acquired by airborne sensors or remote sensing satellites contain the necessary information that can be used to investigate various objects of interest on the surface of the Earth, including coastlines. The coastal zone is of great economic importance and is also very densely populated. The intensive and increasing use of coasts and changes of coastlines motivate researchers to try to assess...
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A Review: Applications of the Spectral Finite Element Method
PublicationThe Spectral Finite Element Technique (SFEM) has Several Applications in the Sciences, Engineering, and Mathematics, which will be Covered in this Review Article. The Spectral Finite Element Method (SFEM) is a Variant of the Traditional Finite Element Method FEM that Makes use of Higher Order Basis Functions (FEM). One of the most Fundamental Numerical Techniques Employed in the Numerical Simulation is the SFEM, which Outperforms...
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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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Letter to the Editor: Discussion on the Paper “State-of-the-Art of Research on Seismic Pounding Between Buildings with Aligned Slabs”
PublicationThe paper “State-of-the-art of research on seismic pounding between buildings with aligned slabs” (by Kharazian and López-Almansa) has recently been published in the journal of Archives of Computational Methods in Engineering. It can be considered as a kind of continuation of previous ‘state-of-the-art’ publications, including two papers and a book. Unfortunately, the paper contains a number of misleading or wrong statements as...
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Seismic Pounding Between Bridge Segments: A State-of-the-Art Review
PublicationEarthquake-induced structural pounding in bridge structures has been observed in several previous seismic events. Collisions occur at the expansion joints provided between adjacent decks or between the deck and abutment. Pounding between the structural elements may lead to severe damages and even to the unseating of the bridge in certain cases. Several investigations have been performed to study pounding in bridges under uniform...
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Thermal Buckling Analysis of Circular Bilayer Graphene sheets Resting on an Elastic Matrix Based on Nonlocal Continuum Mechanics
PublicationIn this article, the thermal buckling behavior of orthotropic circular bilayer graphene sheets embedded in the Winkler–Pasternak elastic medium is scrutinized. Using the nonlocal elasticity theory, the bilayer graphene sheets are modeled as a nonlocal double–layered plate that contains small scale effects and van der Waals (vdW) interaction forces. The vdW interaction forces between the layers are simulated as a set of linear springs...
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause 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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Life after BEXUS: Stratospheric Balloon Activities at Gdańsk University of Technology
PublicationHow do you restart an academic stratospheric balloon programme after taking part in the REXUS/BEXUS programme? How to assemble a new team and share the passion for stratosphere with a new generation of students? In this paper we want to summarise the stratospheric balloon activities at Gdańsk University of Technology held by SimLE Science Club since 2022. We’ll outline the challenges of creating a new team as well as the technical...
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Project Management Cycle in the Construction Industry Augmented by Collaborative Innovation Network Software
PublicationProject management is a very broad concept that has in recent times is growing rapidly. Management is especially complex in the construction sector, among the other sectors, due to the high uncertainty of workmanship and complexity of construction projects. Proper project management skills are an important factor in the success of projects, leading to reduced costs and shorten the time of investment. Nevertheless, most of the projects...
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Polyurethane Nanocomposites Containing Reduced Graphene Oxide, FTIR, Raman, and XRD Studies
PublicationRecently, graphene and other graphene-based materials have become an essential part of composite science and technology. Their unique properties are not only restricted to graphene but also shared with derivative compounds like graphene oxide, reduced graphene oxide, functionalized graphene, and so forth. One of the most structurally important materials, graphene oxide (GO), is prepared by the oxidation of graphite. Though removal...
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Extra-curricular project-oriented education in optoelectronics in the Faculty of Electronics, Telecommunications and Informatics at Gdańsk University of Technology, Poland
PublicationProject-oriented education constitutes a key part of the curriculum in the Faculty of Electronics, Telecommunications and Informatics of Gdańsk University of Technology (Gdańsk Tech), Poland. Students on the Engineer and Master of Science level studies take part in several projects, both individually and in teams. In addition to compulsory activities, students have the opportunity to take part in the activities of student scientific...
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Rhodotorulic Acid and its Derivatives: Synthesis, Properties, and Applications
PublicationSiderophores are low molecular weight compounds produced by microorganisms to scavenge iron in iron-deficient environments. Rhodotorulic acid (RA), a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, RA exhibits a high affinity for ferric ions, enabling it to form stable complexes that facilitate iron uptake and transport within microorganisms....
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Mid-infrared spectroscopy for characterization of Baltic amber (succinite)
PublicationNatural Baltic amber (succinite) is the most appreciated fossil resin of the rich cultural traditions dating back to prehistoric times. Its unequivocal identification is extremely important in many branches of science and trades including archeology, paleontology, chemistry and finally mineralogical and gemological societies. Current methods of modification of natural succinite are more and more sophisticated making the identification...
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Upper Limb Bionic Orthoses: General Overview and Forecasting Changes
PublicationUsing robotics in modern medicine is slowly becoming a common practice. However, there are still important life science fields which are currently devoid of such advanced technology. A noteworthy example of a life sciences field which would benefit from process automation and advanced robotic technology is rehabilitation of the upper limb with the use of an orthosis. Here, we present the state-of-the-art and prospects for development...
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Modeling energy consumption of parallel applications
PublicationThe paper presents modeling and simulation of energy consumption of two types of parallel applications: geometric Single Program Multiple Data (SPMD) and divide-and-conquer (DAC). Simulation is performed in a new MERPSYS environment. Model of an application uses the Java language with extension representing message exchange between processes working in parallel. Simulation is performed by running threads representing distinct process...
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Preface
PublicationThis special issue of Discussiones Mathematice Graph Theory (DMGT) is dedicated to selected papers presented at the 13th Workshop on Graph Theory: Colourings, Independence and Domination (CID) held on 18-23 September 2009 in Szklarska Poręba, Poland. It continues a series of international workshops: 1993-1997 in Lubiatów, 1998-2001 in Gronów, and 2003-2007 in Karpacz. The meeting was organized by the Faculty of Mathematics, Computer...
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Examination method of the effect of the incidence angle of laser beam on distance measurement accuracy to surfaces with different colour and roughness
PublicationInterest in the influence of the incidence angle of a laser beam to distance measurements can be seen in many areas of science and technology: geodesy, glaciology, archaeology, machine automation, and others. This paper presents results of measurements of the effect of the incidence angle of a laser beam to distance measurements to the surfaces of different colour and roughness by Topcon's electro-optical total station with an...
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ANALIZA BIBLIOMETRYCZNA BADAŃ NAD KONKURENCYJNOŚCIĄ MIĘDZYNARODOWĄ
PublicationCelem artykułu jest prezentacja wyników metaanalizy prac naukowych z zakresu międzynarodowej konkurencyjności, opublikowanych w ciągu ostatnich siedemdziesięciu lat w bazach ISI Web of Science oraz EconLit. W analizie wykorzystane zostały podstawowe metody bibliometryczne przy wsparciu oprogramowania HistCite. Przeprowadzona analiza umożliwiła ocenę w czasie rozwoju badań nad międzynarodową konkurencyjnością oraz identyfikację...
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On the hat problem, its variations, and their applications
PublicationThe topic of our paper is the hat problem in which each of n players is randomly fitted with a blue or red hat. Then everybody can try to guess simultaneously his own hat color by looking at the hat colors of the other players. The team wins if at least one player guesses his hat color correctly, and no one guesses his hat color wrong; otherwise the team loses. The aim is to maximize the probability of a win. There are known many...
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New satellite pumps
PublicationStosowanie Maszyn company from Katowice was initiator and originator of newest original high pressure satellite pumps series of types PSM. Construction solution, research and development of these pumps have been conducted by Team of Hydraulics and Pneumatics of Gdansk University of Technology in cooperation with this company within the confines of research project nr R0300103 (source of funds: Ministry of Science and Higher Education)....
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Polyisocyanates from Sustainable Resources
PublicationIsocyanates, next to polyols, constitute the major components essential for polyurethane (PU) production. They have a significant impact on physicochemical, mechanical, and thermal properties of PU materials. They also have an impact on those materials’ purposes, forms, textures, and other features. The available and used isocyanates are of a petrochemical origin. With the development of a trend toward green chemistry in the science...
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Wroclaw University of Technology Knowledge Repository - project objectives
PublicationKnowledge Repository is a project created in the Library and Scientific Information Centre of Wroclaw University of Technology (WrUT). Its main task will be collecting, sharing, and promoting scientific publications of researchers, postgraduates and students of WrUT. It will be also used for bibliometric analysis and reporting research output of WrUT scientific community.Knowledge Repository will closely cooperate with other databases...
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CMGNet: Context-aware middle-layer guidance network for salient object detection
PublicationSalient object detection (SOD) is a critical task in computer vision that involves accurately identifying and segmenting visually significant objects in an image. To address the challenges of gridding issues and feature...
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CROWDFUNDING OF RESEARCH PROJECTS IN POLAND
PublicationCrowdfunding recently became a very popular way of funding, which allows funding almost everything, from minor personal projects to expensive commercial ones, as long as we can find investors. It may also be a new opportunity for entrepreneurial researchers, who may attract capital investment in companies that are promised to own developed technologies. Social financing of science is well suited to reduce some of the biggest problems...
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Diverse roles, advantages and importance of deep eutectic solvents application in solid and liquid-phase microextraction techniques – A review
PublicationDeep eutectic solvents (DESs) are an emerging class of promising green solvents used as an alternative to traditional organic solvents in various scientific fields. The high biodegradability, biocompatibility, eco-friendliness, tunable properties, and presence of active groups in DESs make them the preferred solvent in a variety of solid- and liquid-phase microextraction techniques. Aside from these benefits, the use of DESs in...
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Some kind of joints in composite polymer bridges
PublicationContemporary, polymer composites bridge structures are of two types: truss or arch structures(with many joints along the length) and beam structures with limited number of joints. Both of them have special types of composite polymer decks. An ideal solution is to join advantages of two types of structuresdescribed below and create long span FRP beam bridge structure system using joints along the length. Theproblem is to find the...
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The Progress in Electron Microscopy Studies of Particulate Matters to Be Used as a Standard Monitoring Method for Air Dust Pollution
PublicationThe present article reviews studies on air solid particles carried out with the use of electron microscopy. Particle analysis combining scanning and transmission electron microscopy (SEM and TEM) can be used to derive size-resolved information of the composition, mixing state, morphology, and complex refractive index of atmospheric aerosol particles. It seems that electron microscopy is more widely used in atmospheric particulate...
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Devices for the production of reference gas mixtures
PublicationFor many years there has been growing demand for gaseous reference materials, which is connected with development in many fields of science and technology. As a result, new methodological and instrumental solutions appear that can be used for this purpose. Appropriate quality assurance/quality control (QA/QC) must be used to make sure that measurement data are a reliable source of information. Reference materials are a significant...
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Selected biotrends in development of epoxy resins and their composites
PublicationEpoxy resins and their fibre or particulate composites are widely used in various industries, including building, naval, aircraft, automotive and aerospace. Modern polymer science and technology focus on the development of green polymers and composites. There are two major areas of interest in the case of epoxy resins: the development of bio-based resins and the production of composites with natural fibers. One of the most interesting...
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What is in a name: Defining “high entropy” oxides
PublicationABSTRACT High entropy oxides are emerging as an exciting new avenue to design highly tailored functional behaviors that have no traditional counterparts. Study and application of these materials are bringing together scientists and engineers from physics, chemistry, and materials science. The diversity of each of these disciplines comes with perspectives and jargon that may be confusing to those outside of the individual fields,...
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INFORMATION SOCIETY DEVELOPMENT TRENDS, FROM DATA THROUGH KNOWLEDGE TO WISDOM
PublicationThe paper investigates both the causes and effects of the rapid increase in the data volume(BigData)andtheirimpactonhumancognition.TheroleoftheInternetindistributing and exchanging of such data, and their impact on the growth of the Information Society are emphasized. As a result, Wisdom Science – a new kind of research – emerges which has the potential to facilitate more advanced solutions in the digital world. In consequence,...
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UAV IN TODAYS PHOTOGRAMMETRY – APPLICATION AREAS AND CHALLENGES
PublicationThere a few important factors, that nowadays, unmanned aerial vehicles (UAV) are used by wider community, and for cases and applications, that cannot be performed never before. Small UAVs, as a photogrammetry measurement tool provide flexibility, reliability, are safe and easy to use, can be deployed in minutes, initial measurement can be delivered yet on the field, and final accurate measurements are calculated in a very short...
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Methodology for hospital design in architectural education
PublicationThe architecture of a hospital should be a response to strong user requirements. Recommendations on how to shape the environment of such facilities are highly complex, integrating guidelines from many fields of science. If contradictions between them exist, the designer is required to set priorities for spatial activities. This issue is particularly important during architectural education. The learning process should include projects...
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Experimentally feasible semi-device-independent certification of four-outcome positive-operator-valued measurements
PublicationRecently the quantum information science community devoted a lot of attention to the theoretical and practical aspects of generalized measurements, the formalism of all possible quantum operations leading to acquisition of classical information. On the other hand, due to imperfections present in quantum devices, and limited thrust to them, a trend of formulating quantum information tasks in a semi-device-independent manner emerged....
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Sensors and Sensor’s Fusion in Autonomous Vehicles
PublicationAutonomous vehicle navigation has been at the center of several major developments, both in civilian and defense applications. New technologies such as multisensory data fusion, big data processing, and deep learning are changing the quality of areas of applications, improving the sensors and systems used. New ideas such as 3D radar, 3D sonar, LiDAR, and others are based on autonomous vehicle revolutionary development. The Special...
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Selected Stability Problems of Thin-Walled Columns and Beams
PublicationThe article reviews a number of papers in the light of buckling analy- sis of thin-walled columns and beams. Stability of thin-walled columns and beams are considered a vital engineering science issue in both historical and present-day approaches. The paper refers to the recent authors’ works of the 2012–2019 period, published in leading journals. Similar review of stability problems of thin-walled structures developed at Gdansk...
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Supercomputing Grid-Based Services for Hearing Protection and Acoustical Urban Planning, Research and Education
PublicationSpecific computational environments, so-called domain grids, are developed within the PLGrid Plus project in order to prepare specialized IT solutions, i.e., dedicated software implementations and hardware (infrastructure adaptation), suited for particular research group demands. One of the PLGrid Plus domain grids, presented in this paper, is Acoustics. The article describes in detail two kinds of the acoustic domain services....