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Wyniki wyszukiwania dla: computation
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Quasi-solutions for generalized second order differential equations with deviating arguments
PublikacjaThis paper deal with boundary value problems for generalized second order differential equations with deviating arguments. Existence of quasi-solutions and solutions are proved by monotone iterative method. Examples with numerical results are added.
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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
PublikacjaAccording 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 Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublikacjaAccording 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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Mechanical Properties of Single-Walled Carbon Nanotubes with AIREBO Force-Filed
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Measurements and Simulations of Engineered Ultrasound Loudspeakers
PublikacjaSimulation and measurement results of the sound emitted from an ultrasound custom-made system with high spatial directivity are presented. The proposed system is using modulated ultrasound waves which demodulate in nonlinear medium resulting in audible sound. The system is aimed at enhancing the users’ personal audio space, therefore the measurements are performed using the Head and Torso Simulator which provides realistic reproduction...
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On root finding algorithms for complex functions with branch cuts
PublikacjaA simple and versatile method is presented, which enhances the complex root finding process by eliminating branch cuts and branch points in the analyzed domain. For any complex function defined by a finite number of Riemann sheets, a pointwise product of all the surfaces can be obtained. Such single-valued function is free of discontinuity caused by branch cuts and branch points. The roots of the new function are the same as the...
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Explicit and implicit difefrence methods for quasilinear first order partial functional differential equations.
PublikacjaInitial boundary value problems of the Dirichlet type for quasilinear functional differential equations are considered. Explicit difference schemes of the Euler type and implicit difference methods are investigated. Suffcient conditions for the convergence of approximate solutions are given and comparisons of the methods are presented. It is proved that assumptions on the regularity of given functions are the same for both classes...
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublikacjaCathepsin 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
PublikacjaBased 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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Cost-Effective and Sufficiently Precise Integration Method Adapted to the FEM Calculations of Bone Tissue
PublikacjaThe technique of Young’s modulus variation in the finite element is not spread in biomechanics. Our future goal is to adapt this technique to bone tissue strength calculations. The aim of this paper is to present the necessary studies of the element’s integration method that takes into account changes in material properties. For research purposes, a virtual sample with the size and distribution of mechanical properties similar...
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Numerical solution of threshold problems in epidemics and population dynamics
PublikacjaA 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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Letter to the Editor: Discussion on the Paper “State-of-the-Art of Research on Seismic Pounding Between Buildings with Aligned Slabs”
PublikacjaThe 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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Structure of Small Platinum Clusters Revised
PublikacjaW pracy opisano wyniki obliczeń metodą DFT struktury 2-15 atomowych klastrów platyny.
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publikacjaw 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
PublikacjaOgólne 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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THE PERFORMANCE OF SELECTED AB INITIO METHODS IN ESTIMATING ELECTRON BINDING ENERGIES OF SUPERHALOGEN ANIONS
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From the Dynamic Lattice Liquid Algorithm to the Dedicated Parallel Computer – mDLL Machine
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Application of Structural Control Systems for the Cables of Cable-Stayed Bridges: State-of-the-Art and State-of-the-Practice
PublikacjaStay cables are one of the key elements of cable-stayed bridges and are characterized by lightweight, low inherent damping, and high flexibility. They are continuously subjected to small-to large-amplitude vibrations due to various types of dynamic loads that may, in the long term, cause fatigue and fracture problems for the cable system, and may eventually compromise the safety of cable-stayed bridges. Thus, several countermeasures...
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Initializing the EM Algorithm for Univariate Gaussian, Multi-Component, Heteroscedastic Mixture Models by Dynamic Programming Partitions
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MOLECULAR SIMULATIONS OF NEOCARZINOSTATIN CHROMOPHORE RELEASE MECHANISM
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Digital Humanities – Challenges for Humanities in the Digital Society Era – Foreword
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Applications of water molecules for analysis of macromolecule properties
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Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
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Resolving the role of podoplanin in the motility of papillary thyroid carcinoma-derived cells using RNA sequencing
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CALCULATOR FOR FINDING COMPOSITION OF (Me1)x1(Me2)x2(CcHhNnOo)x3(NO3)x4(H2O)x5(Cl)x6 TYPE COMPLEX FROM ELEMENTAL ANALYSIS DATA
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Basic Hand Gestures Classification Based on Surface Electromyography
PublikacjaThis paper presents an innovative classification system for hand gestures using 2-channel surface electromyography analysis. The system developed uses the Support Vector Machine classifier, for which the kernel function and parameter optimisation are conducted additionally by the Cuckoo Search swarm algorithm. The system developed is compared with standard Support Vector Machine classifiers with various kernel functions. The average...
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Review of Segmentation Methods for Coastline Detection in SAR Images
PublikacjaSynthetic 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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Buckling Analysis of a Micro Composite Plate with Nano Coating Based on the Modified Couple Stress Theory
PublikacjaThe 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
PublikacjaIn 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
PublikacjaIn 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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Fractional Spectral and Fractional Finite Element Methods: A Comprehensive Review and Future Prospects
PublikacjaIn this article, we will discuss the applications of the Spectral element method (SEM) and Finite element Method (FEM) for fractional calculusThe so-called fractional Spectral element method (f-SEM) and fractional Finite element method (f-FEM) are crucial in various branches of science and play a significant role. In this review, we discuss the advantages and adaptability of FEM and SEM, which provide the simulations of fractional...
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Thermal Buckling Analysis of Circular Bilayer Graphene sheets Resting on an Elastic Matrix Based on Nonlocal Continuum Mechanics
PublikacjaIn 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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Seismic Pounding Between Bridge Segments: A State-of-the-Art Review
PublikacjaEarthquake-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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Improvements to the two-phase sandwich method for calculating the melting points of pure metals
PublikacjaThe thermophysical properties of metal alloys are often investigated via molecular dynamics (MD) simulations.An exact and reliable estimation of the thermophysical parameters from the MD data requires a properly and carefullyelaborated methodology. In this paper, an improved two-phase sandwich method for the determination of the metal meltingtemperature is proposed, based on the solid-liquid equilibrium theory. The new method was...
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A Novel Approach to Fully Nonlinear Mathematical Modeling of Tectonic Plates
PublikacjaThe 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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On the Buckling Response of Axially Pressurized Nanotubes Based on a Novel Nonlocal Beam Theory
PublikacjaIn 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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A Comparison between MD and EXAFS extracted Structural Data for TernaryRbBr(1-x)Ix.
PublikacjaStrukturę trójskładnikowych soli poddano analizie za pomocą metody EXAFS i symulacji M-D. Przedyskutowano przydatność używanego w symulacjach potencjału oddziaływań międzyatomowych.
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Monotone and numerical analytic- methods for differential equations.
PublikacjaPraca dotyczy problemu różniczkowo-całkowego (typu Fredholma) z ogólnym warunkiem początkowo-brzegowo-całkowym. W pierwszej części pracy, stosując metodę iteracji monotonicznych, sformułowano warunki dostateczne które gwarantują, że dyskutowany problem ma rozwiązanie ekstremalne w zbiorze generowanym przez dolne i górne rozwiązania. Rozważania teoretyczne poparto przykładem i dyskusją. W drugiej części pracy zastosowano metodę...
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Waveform relaxation methods for periodic differential-functional systems.
PublikacjaPrzedmiotem badań były układy różniczkowo-funkcyjne z warunkiem okresowym.Prawą stronę układu z argumentem funkcyjnym przedstawiono w nowej formie wygodnej do stosowania metody relaksacyjnej ''waveform''. Podano warunki dostateczne (dyskutowano dwa typy takich warunków) przy których wyjściowy problem ma rozwiązanie i odpowiednie ciągi relaksacyjne są do niego zbieżne. Dyskutowano w szczegółach przedstawiony problem numeryczny...
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Existence of solutions of boundary value problems for differential equations with delayed arguments.
PublikacjaPodane zostały warunki dostateczne na istnienie i jednoznaczność rozwiązań problemów brzegowych dla równań różniczkowych z odchylonymi argumentami.Problem istnienia ekstremalnych rozwiązań również był przedmiotem badań. Podano konstrukcję monotonicznych iteracji i pokazano, że iteracje te są zbieżne do szukanego rozwiązania. Praca zawiera przykłady które ilustrują ogólną teorię.
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A Review: Structural Shape and Stress Control Techniques and their Applications
PublikacjaThis 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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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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Machine-Learning Methods for Estimating Performance of Structural Concrete Members Reinforced with Fiber-Reinforced Polymers
PublikacjaIn 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 Comprehensive Review: Applications of the Kozeny–Carman Model in Engineering with Permeability Dynamics
PublikacjaIn this review article, we investigate the dynamic nature of the Kozeny–Carman Model concerning permeability and its application in engineering contexts. Providing insights into the changing dynamics of permeability within mining, petroleum, and geotechnical engineering, among other engineering applications. While some are complex and require additional modifcations to be applicable, others are simple and still function in specifc...
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Data-Driven Modeling of Mechanical Properties of Fiber-Reinforced Concrete: A Critical Review
PublikacjaFiber-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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Fuzzy Gaussian Decision Tree
PublikacjaThe Decision Tree algorithm is one of the first machine learning algorithms developed. It is used both as a standalone model and as an ensemble of many cooperating trees like Random Forest, AdaBoost, Gradient Boosted Trees, or XGBoost. In this work, a new version of the Decision Tree was developed for classifying real-world signals using Gaussian distribution functions and a fuzzy decision process. The research was carried out...
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A novel hardware implemented programmable controller adapted to cooperate with AI tuning algorithms in real time systems
PublikacjaA novel, transistor level PID (proportional–integrating–derivative) controller is proposed that may be easily coupled with various AI algorithms responsible for adjusting its main factors. In our work we focus on a discrete-time digital approach, as it facilities realization a flexible and programmable structure that can be quickly re-configured depending on varying environment conditions. One of the novelties of the proposed solution...
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A new deterministic PSO algorithm for real-time systems implemented on low-power devices
PublikacjaThe paper presents a novel, deterministic particle swarm optimization (PSO) algorithm, facilitating its implementation in low-power application specific integrated circuits (ASIC) realized in CMOS technology. The PSO algorithms are commonly used in a variety of optimization problems. They allow to search for a global extreme in a selected fitness function, which is used for numerical modeling of specific optimized problems. The...
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Differential equations with integral boundary conditions
PublikacjaStosuje się metodę iteracji monotonicznych opartą na dolnym i górnym rozwiązaniu. Przy jednostronnym warunku Lipschitza uzyskano pewne wyniki dotyczące rozwiązań zwyczajnych równań różniczkowych z całkowym warunkiem brzegowym. Sformułowano warunki dostateczne na istnienie jedynego rozwiązania (lub rozwiązań ekstremalnych) w pewnym segmencie. Podano przykłady ilustrujące przyjęte założenia.
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Conference on Computational Natural Language Learning (Conference on Natural Language Learning)
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