Search
Filters
total: 5867
displaying 1000 best results Help
Search results for: molecular dynamic simulation
-
Seafloor backscattering: numerical simulation vs. filter theory approach.
PublicationPrzedstawiono model opisujący rozpraszanie sygnału akustycznego na nierównomiernej, regularnie sfalowanej powierzchni dna morskiego jako filtr liniowy z odpowiedzią impulsową o zmieniającej się w czasie chwilowej dominującej częstotliwości. Porównano przewidywania modelu z wynikami otrzymanymi w wyniku złożonych obliczeniowo symulacji numerycznych opartych na fizycznym modelu zjawiska wykorzystującym aproksymację Kirchhoffa. Wstępnie...
-
An application of simulation investigations in design procedures of shippower system automation
PublicationPrzedstawiono wyniki prac dotyczące zastosowania badań symulacyjnych systemów energetycznych statków w środowisku programowym systemu ekspertowego. Wyniki badań symulacyjnych są źródłem głębokiej wiedzy dla systemu ekspertowego dotyczącej oceny spełnienia kryteriów towarzystw klasyfikacyjnych statków. Wybrane sesje symulacyjne podsystemu napędu głównego statku zostały przedstawione i omówione.
-
Simulation of solid state ionic conductors I-V characteristics
PublicationW pracy przedstawiono sumulacje charakterystyk prądowo-napięciowych czujników elktrokatalitycznych. Zastosowano metode różnić skończonych.
-
The numerical simulation of two-dimensional vertical incompressible viscous flow
PublicationW artykule przedstawiono numeryczne symulacje płaskiego pionowego przepływu nieściśliwej cieczy lepkiej ze swobodną powierzchnią. Zastosowano model bazujący na rozwiązaniu równań Naviera-Stokesa metodą "ciśnień" (SIMPLE). Przy takim podejściu otrzymano dywergencję równań Naviera-Stokesa oraz równanie Poissona na ciśnienie. W rozwiązaniu zastosowano schemat Laxa-Wendroffa z przesuniętą siatką Eulera. Takie podejście zapewnia dokładność...
-
Design framework and simulation investigation of cellular parts manufacturing applications
PublicationPrzedstawiono koncepcję projektowania przebiegów grupowego wytwarzania asortymentu przedmiotów w systemach typu przepływowego, z wykorzystaniem algorytmu analizy podobieństwa ciągów znakowych, reprezentujących marszruty procesów, i jego oceny wg kryterium odległości Levenshteina, zgodnie z paradygmatem oszczędnej produkcji. Efektywność proponowanej metodyki weryfikowano symulacyjnie wg określonych scenariuszy, opisujących wariantowe...
-
Numerical Simulation of Operating Parameters of the Ground Source Heat Pump
Publication -
Mechanical model of fascia-implant structure. Finite element simulation.
PublicationPraca dotyczy modelowania i symulacji syntetycznych implantów chirurgicznych stosowanych w leczeniu przepulin brzusznych metodą laparoskowpową. Prponowane są modele matematyczne a ich prawidłowość weryfikowana jest na podstawie badań doświadczalnych zachowania się modeli fizycznych wszczepionych implantów pod wpływem obciążeń wynikających z fizjologii człowieka. Nakreślona jest metodologia oceny trwałości połączenia siatki chirurgicznej...
-
Long-Distance FRET Analysis: A Monte Carlo Simulation Study
PublicationZaproponowano nową metodę na rozszerzenie zakresu stosowalności rezonansowego transferu energii (FRET) przetestowaną przy pomocy metody Monte Carlo. Otrzymane rezultaty dowodzą, że wydajność procesu FRET może być znacząco zwiększona w porównaniu z wydajnością pojedynczego akceptora, gdy dla ustalonej od donora umieścimy układ blisko siebie położonych akceptorów na makromolekule. Z drugiej strony metoda ta umożliwia zwiększenie...
-
Simulation-driven design of compact ultra-wideband antenna structures
PublicationPurpose–The purpose of this paper is to investigate strategies and algorithms for expedited designoptimization and explicit size reduction of compact ultra-wideband (UWB) antennas.Design/methodology/approach–Formulation of the compact antenna design problem aiming atexplicit size reduction while maintaining acceptable electrical performance is presented. Algorithmicframeworks are described suitable for handling various design situations...
-
Monitoring of concrete curing in extradosed bridge supported by numerical simulation
PublicationThe paper describes a mathematical model of concrete curing taking into account kinetics of setting reactions. The numerical model is implemented in the author’s program that was used to monitor thermal effects recorded in the concrete bottom plate of the extradosed bridge. Numerical approach was verified by experimental measurements and used for assessment of the current compressive strength due to degree of hydration of fresh...
-
Simulation and experiment of radiating slot in a ground-plane of microstrip junction
PublicationW pracy przedstawiono badania numeryczne oraz eksperymentalne szczeliny promieniującej umieszczonej w płaszczyźnie masy złącza mikropaskowego. Złącze mikropaskowe składa się z linii mikropaskowej oraz rozwartego na końcu sęka. Szczelina umieszczona jest równolegle do linii mikropaskowej.
-
Numerical Simulation of Open Channel Flow between Bridge Piers
PublicationPrzedstawiono dwuwymiarowy model przepływu wody płytkiej, który wykorzystano do symulacji przepływu wody w kanale otwartym w rejonie przekroju mostowego. Równania przepływu rozwiązano metodą objętości skończonych. Wyniki symulacji ruchu wody pomiędzy filarami mostowymi porównano z pomiarami laboratoryjnymi przeprowadzonymi w Laboratorium Hydrauliki i Inżynierii Środowiska politechniki Gdańskiej. Zgodność uzyskanych wyników obliczeń...
-
Business process modelling and simulation using formal experience record
PublicationZaproponowano modelowanie procesow biznesowych w oparciu o formalny zapis doswiadzcen. Przedtswiono softwerowa implementacje zaproponowego modelu.
-
Using GPUs for Parallel Stencil Computations in Relativistic Hydrodynamic Simulation
PublicationThis paper explores the possibilities of using a GPU for complex 3D finite difference computation. We propose a new approach to this topic using surface memory and compare it with 3D stencil computations carried out via shared memory, which is currently considered to be the best approach. The case study was performed for the extensive computation of collisions between heavy nuclei in terms of relativistic hydrodynamics.
-
Finite element simulation of cross shaped window panel supports
PublicationThe aim of the work is to verify suitability of cross-shaped window panel supports for mullion-transom wall systems. The Finite Element Method (FEM) is chosen to determine the behaviour of stainless steel elements under loading. The advanced non-linear numerical simulations are carried out using an implicit FEM software package MSC.Marc. This study is proposed to initiate the comprehensive investigation of mechanical properties...
-
Dynamic Electrochemical Impedance Spectroscopy (DEIS) as a Tool for Analyzing Surface Oxidation Processes on Boron-Doped Diamond Electrodes
PublicationSurface oxidation processes play a key role in understanding electrochemical properties of boron-doped diamond (BDD) electrodes. The type of surface termination groups, which create the potential window of electrolytic water stability or hydrophobicity, influences such properties. In this study the kinetics of oxidation process under anodic polarization were studied in situ by means of Dynamic Electrochemical Impedance Spectroscopy...
-
EXHAUST GAS TEMPERATURE MEASUREMENTS IN DIAGNOSTICS OF TURBOCHARGED MARINE INTERNAL COMBUSTION ENGINES PART II DYNAMIC MEASUREMENTS
PublicationThe second part of the article describes the technology of marine engine diagnostics making use of dynamic measurements of the exhaust gas temperature. Little-known achievements of Prof. S. Rutkowski of the Naval College in Gdynia (now: Polish Naval Academy) in this area are presented. A novel approach is proposed which consists in the use of the measured exhaust gas temperature dynamics for qualitative and quantitative assessment...
-
Simulation of ship turning circle test for ballast and full load conditions
Open Research DataThe data show the results of the turning circle spiral test for the simplified ship model, taking into account two states of loading: ballast and full load. During the circulation test, the manoeuvrability of the vessel is tested.
-
Dynamic GPU power capping with online performance tracing for energy efficient GPU computing using DEPO tool
PublicationGPU accelerators have become essential to the recent advance in computational power of high- performance computing (HPC) systems. Current HPC systems’ reaching an approximately 20–30 mega-watt power demand has resulted in increasing CO2 emissions, energy costs and necessitate increasingly complex cooling systems. This is a very real challenge. To address this, new mechanisms of software power control could be employed. In this...
-
Silver and Silver/Sodium Bisphosphonate Salts: Rare Examples of Molecular Solid Solutions and Their Biological Activity as Dual-Action Compounds
PublicationBisphosphonates (BPs) are an important treatment for osteoporosis and bone metastases due to their low toxicity, high thermostability, and the ability to inhibit bone resorption. Notably, BPs like alendronate, which contain a primary amine group, exhibit potent antiresorptive and antiangiogenic properties. Recent studies have focused on enhancing the BP properties by incorporating bioactive metals to increase their therapeutic...
-
Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublicationSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
-
Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
-
Increased inspiratory resistance affects the dynamic relationship between blood pressure changes and subarachnoid space width oscillations
PublicationBackground and objective Respiration is known to affect cerebrospinal fluid (CSF) movement. We hypothesised that increased inspiratory resistance would affect the dynamic relationship between blood pressure (BP) changes and subarachnoid space width (SAS) oscillations. Methods Experiments were performed in a group of 20 healthy volunteers undergoing controlled intermittent Mueller Manoeuvres (the key characteristic of the procedure...
-
Molecular dynamics study of 4-OH-phenylacetyl- D -Y(Me)FQNRPR-NH 2 selectivity to V1a receptor
Publication -
Scalability of surrogate-assisted multi-objective optimization of antenna structures exploiting variable-fidelity electromagnetic simulation models
PublicationMulti-objective optimization of antenna structures is a challenging task due to high-computational cost of evaluating the design objectives as well as large number of adjustable parameters. Design speedup can be achieved by means of surrogate-based optimization techniques. In particular, a combination of variable-fidelity electromagnetic (EM) simulations, design space reduction techniques, response surface approximation (RSA) models,...
-
Pin Angle Thermal Effects on Friction Stir Welding of AA5058 Aluminum Alloy: CFD Simulation and Experimental Validation
PublicationThe friction stir welding (FSW) of tool pin geometry plays a critical role in the final properties of the produced joint. The tool pin geometry directly affects the generation of heat and the flow of internal materials during the FSW process. The effects of the FSW tool pin angle on heat generation and internal flow have not been quantitatively investigated in detail. In this manuscript, a validated Computational Fluid Dynamic...
-
CREATING A RANKING OF DIAGNOSTIC PARAMETERS FOR THE DYNAMIC PROCESS OF A MARINE COMBUSTION ENGINE IN THE ASPECT OF MULTI-CRITERIA EVALUATIONS
PublicationThe change of some of the engine’s structural parameters affects the change of toxic compound emission in exhaust gases. It mainly applies to the damage sustained by the charge exchange system as well as the fuel system and the engine supercharging system. These changes are definitely higher during dynamic states and the related transient states. As such, it is possible to speak of a diverse sensitivity of the diagnostic parameters...
-
Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System—Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking
PublicationHerein, we present the synthesis and crystal structures determination of five 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives containing halogen atoms, 6a–e, which may be used as an excellent mimic of steroids in the drug development process. Good quality crystals obtained for all of the synthesized compounds allowed the analysis of their molecular structures. Subsequently, the determined crystal structures were used to calculate...
-
Effects of Segment Length and Crosslinking via POSS on the Calorimetric and Dynamic Glass Transition of Polyurethanes with Aliphatic Hard Segments
Publication -
Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublicationThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
-
Effect of Compounding Conditions on Static and Dynamic Mechanical Properties of High Density Polyethylene/Ground Tire Rubber Blends
PublicationSearching for new and cost-effective methods of waste rubber recycling is a subject of research in many scientific centers in the world. In this paper there are presented results of the research of the extrusion process of cheap and environmentally friendly thermoplastic compositions containing 50 % wt. of masses of ground tire rubber (GTR). The aim of this study was to determine the relationship between the mixing conditions and...
-
Understanding ion–ion and ion–solvent interactions in aqueous solutions of morpholinium ionic liquids with N-acetyl-L-alaninate anion through partial molar properties and molecular dynamics simulations
PublicationAmino acid ionic liquids (AAILs) provide a low toxicity, biodegradable alternative to conventional ionic liquids, while also maintaining solubility in water. Densities and sound velocities of aqueous solutions of four amino acid ionic liquids (AAILs), based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 6, 8) cation and N-acetyl-L-alaninate ([N-Ac-L-Ala]) anion were measured at T = (293.15–313.15) K and at atmospheric...
-
Bending analysis of functionally graded nanoplates based on a higher-order shear deformation theory using dynamic relaxation method
PublicationIn this paper, bending analysis of rectangular functionally graded (FG) nanoplates under a uniform transverse load has been considered based on the modified couple stress theory. Using Hamilton’s principle, governing equations are derived based on a higher-order shear deformation theory (HSDT). The set of coupled equations are solved using the dynamic relaxation (DR) method combined with finite difference (FD) discretization technique...
-
Finite element modeling of plastic hinges based on ductility demand-capacity method using nonlinear material for dynamic analysis
PublicationThe article discusses modeling plastic hinges in reinforced concrete interme-diate supports using finite elements methods. The ductility demand-capacitymethod was used to determine the geometrical parameters of cross-section plas-ticization zones, their ability to move and rotate, as well as their ductility. Dueto the varied geometry and stiffness of the supports and their nonlinear behav-ior under dynamic load, this method was...
-
Non-linear circuit model of a single doubly-fed induction machine formulated in natural axes for drive systems simulation purposes
PublicationMathematical modelling and a circuit model formulated in natural axes of a single doubly-fed induction machine, with the account of magnetic circuit nonlinearity are presented in the paper. Derivation of the model differential equations was based on Lagrange's energy method. State functions of magnetic elements in the model are non-linear and depend on all currents flowing in the machine windings and on the angle of rotor position....
-
Simulation of the weight averaging of pulse frequency modulated sensor output signal
Open Research DataThe aim of the research is investigation of the efficiency of weight averaging of pulse frequency modulated signal. It was shown that from the point of view of the reduction of the sampling error the best are polynomial weighing functions, for which the maximum of this component error decreases proportionally to the appropriate power of the number of...
-
Investigation of sweet substances of different molecular structure by potentiometric taste sensor with all solid state electrodes
PublicationA five channel potentiometric taste sensor consisting of an array of All Solid State Electrodes (ASSESs) with different lipid-polymer membranes has been developed. The electrodes are constructed of glassy carbon discs with electrochemically deposited poly(3,4-ethylenedioxythiophene) (PEDOT) acting as ion to electron transducer. The outer layer of the electrode is lipid-polymer membrane. Lipid substances immobilized in PVC membranes...
-
A multiparameter simulation-driven analysis of ship response when turning concerning a required number of irregular wave realizations
PublicationThe growing implementation of Decision Support Systems on modern ships, digital-twin technology, and the introduction of autonomous vessels cause the marine industry to seek accurate modeling of vessel response. Despite the contemporary 6DOF models can be used to predict ship motions in irregular waves, the impact of their stochastic realization is usually neglected and remains under-investigated. Especially in the case of turning, differences...
-
Recent advances in rapid multiobjective optimization of expensive simulation models in microwave and antenna engineering by Pareto front exploration
PublicationPractical engineering design problems are inherently multiobjective, that is, require simultaneous control of several (and often conflicting) criteria. In many situations, genuine multiobjective optimization is required to acquire comprehensive information about the system of interest. The most popular solution techniques are populationbased metaheuristics, however, they are not practical for handling expensive electromagnetic...
-
DYNAMIC RESPONSE OF FORUM GDANSK STRUCTURE DUE TO RAIL TRAFFIC
PublicationThe paper presents the study of the impact of vibration induced by the movement of the railway rolling stock on the Forum Gdańsk structure. This object is currently under construction and is located over the railway tracks in the vicinity of the Gdańsk Główny and Gdańsk Śródmieście railway stations. The analysis covers the influence of vibrations on the structure itself and on the people within. The in situ measurements on existing...
-
Evaluation of pitting corrosion by means of dynamic electrochemical impedance spectroscopy
Publication -
Becoming a Learning Organization Through Dynamic Business Process Management
Publication -
Thermal and dynamic mechanical analysis of cross-linked poly(esterurethanes)
PublicationW pracy przedstawiono wyniki badań termograwimetrycznych oraz termomechanicznych usieciowanch za pomocą styrenu i metakrylanu metylu poli(estrouretanów). Uzyskane wyniki pozwoliły stwierdzić, że stabilność termiczna poli(estrouretanów) jest wystarczająca do wielu zastosowań technicznych. Przeprowadzone analizy wykazały również, iż polimery sieciowane styrenem wykazują separację fazową.
-
The dynamic analysis of a cracked Timoshenko beam by the spectral element method
Publication -
Computational modelling of concrete behaviour under static and dynamic conditions
Publication -
Dynamic response of the PEM fuel cell to step change load
PublicationPrzedstawiono charakterystyki dynamiczne ogniwa paliwowego typu PEM o mocy 2.5 kW obciążanego sygnałem skokowym o wartościach od 1 A do 50 A.
-
Dynamic response of the PEM fuel cell to variable load conditions
PublicationOpisano układ zasilania oparty na 2 ogniwach paliwowych typu PEM o mocy 1.2 kW każde. Omówiono problem ograniczenie ogniwa paliwowego przez drugą zasadę termodynamiki. Przedstawiono charakterystyki układu w zależności od sygnału obciążenia typu: skok jednostkowy, półsinusoidalny, trójkątny, prostokątny i trapezowy.
-
An efficient and robust method for predicting asphalt concrete dynamic modulus
Publication -
Towards probabilistic models for the prediction of a ship performance in dynamic ice
Publication -
Composite sandwich footbridge—measured dynamic response vs. FEA
Publication