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Wyniki wyszukiwania dla: predicting the breakout force
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Extension of the Force Matching Method to Anisotropic Coarse-Grained Transferable Force Fields: Application to the Unres Model of Proteins
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Relieving the Measuring System of the Trailer for Tyre/Road Rolling Resistance Measurements from the Inertia Force
PublikacjaIn the article the principle of measuring of tyre/road rolling resistance tyres in road conditions applied in a special measuring trailer is presented. This trailer was built in Faculty of Mechanical Engineering at Gdansk University of Technology. The construction of two special devices used in this trailer was discussed. These devices eliminate the influence of some chosen confounding measurements factors such as: the inertia...
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A measurement system for nonlinear surface spectroscopy with an atomic force microscope during corrosion process monitoring
PublikacjaIn addition to traditional imaging the surface, atomic force microscopy (AFM) enables wide variety of additional measurements. One of them is higher harmonic imaging. In tapping mode the nonlinear contact between tip and specimen results in higher frequency vibrations. More information available from the higher harmonics analysis proves to be helpful for more detailed imaging. Such visualization is espe-cially useful for heterogeneous...
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Predicting Value of Binding Constants of Organic Ligands to Beta-Cyclodextrin: Application of MARSplines and Descriptors Encoded in SMILES String
PublikacjaThe quantitative structure–activity relationship (QSPR) model was formulated to quantify values of the binding constant (lnK) of a series of ligands to beta–cyclodextrin (β-CD). For this purpose, the multivariate adaptive regression splines (MARSplines) methodology was adopted with molecular descriptors derived from the simplified molecular input line entry specification (SMILES) strings. This approach allows discovery of regression...
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A Computationally Efficient Model for Predicting Successful Memory Encoding Using Machine-Learning-based EEG Channel Selection
PublikacjaComputational cost is an important consideration for memory encoding prediction models that use data from dozens of implanted electrodes. We propose a method to reduce computational expense by selecting a subset of all the electrodes to build the prediction model. The electrodes were selected based on their likelihood of measuring brain activity useful for predicting memory encoding better than chance (in terms of AUC). A logistic...
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Predicting the seismic collapse capacity of adjacent structures prone to pounding
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Serum levels of stem cell factor for predicting embryo quality
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An efficient and robust method for predicting asphalt concrete dynamic modulus
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Deep convolutional neural network for predicting kidney tumour malignancy
PublikacjaPurpose: According to the statistics, up to 15-20% of removed solid kidney tumors turn out to be benign in postoperative histopathological examination, despite having been identified as malignant by a radiologist. The aim of the research was to limit the number of unnecessary nephrectomies of benign tumors. Methods or Background: We propose a machine-aided diagnostic system for kidney...
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Towards Rational Biosurfactant Design—Predicting Solubilization in Rhamnolipid Solutions
PublikacjaThe efficiency of micellar solubilization is dictated inter alia by the properties of the solubilizate, the type of surfactant, and environmental conditions of the process. We, therefore, hypothesized that using the descriptors of the aforementioned features we can predict the solubilization efficiency, expressed as molar solubilization ratio (MSR). In other words, we aimed at creating a model to find the optimal surfactant and...
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Predicting the seismic collapse capacity of adjacent structures prone to pounding
PublikacjaIn crowded cities, many structures are often constructed in a very close vicinity; therefore, during severe earthquakes, pounding phenomenon occurs due to out-of-phase vibrations of adjacent structures. In this study, pounding of adjacent structures is investigated up to the occurrence of total collapse. The novelty of this study is performing incremental dynamic analyses to compute the seismic collapse capacities of both pounding...
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An evaluation of effectiveness of fuzzy logic model in predicting the business bankruptcy
PublikacjaW artykule sprawdzono skuteczność pojedynczego modelu logiki rozmytej w prognozowaniu ryzyka upadłości przedsiębiorstw w Polsce. W badaniach wykorzystano wartości 14 wskaźników finansowych oraz ich dynamikę zmiany między pierwszym a drugim, drugim a trzecim oraz trzecim a czwartym rokiem objętymi analizą. We wnioskach omówiono różnicę w skutecznościach modelu uzyskanego na wartościach statycznych oraz dynamicznych wskaźników finansowych....
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Computer Simulation in Predicting Biochemical Processes and Energy Balance at WWTPs
PublikacjaNowadays, the use of mathematical models and computer simulation allow analysis of many different technological solutions as well as testing various scenarios in a short time and at low financial budget in order to simulate the scenario under typical conditions for the real system and help to find the best solution in design or operation process. The aim of the study was to evaluate different concepts of biochemical processes and...
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Evaluating and predicting the performance of organic coatings using impedance spectroscopy
PublikacjaPrzedstawiono wyniki badań cyklicznych, sinusoidalnych zmian temperatury na powłokowe systemy ochronne o skrajnie różnych właściwościach antykorozyjnych. Porównano zachowanie nowej powłoki poliestrowej typu "coil-coating" na ocynkowanej stali uprzednio eksponowanej w warunkach atmosferycznych alkidowej powłoki malarskiej na podłożu stalowym. Badania przeprowadzono przy zastosowaniu techniki spektroskopii impedancyjnej. Stwierdzono...
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Data-driven Models for Predicting Compressive Strength of 3D-printed Fiber-Reinforced Concrete using Interpretable Machine Learning Algorithms
Publikacja3D printing technology is growing swiftly in the construction sector due to its numerous benefits, such as intricate designs, quicker construction, waste reduction, environmental friendliness, cost savings, and enhanced safety. Nevertheless, optimizing the concrete mix for 3D printing is a challenging task due to the numerous factors involved, requiring extensive experimentation. Therefore, this study used three machine learning...
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A Maximum-Likelihood Approach to Force-Field Calibration
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A newly-developed model for predicting cutting power during wood sawing with circular saw blades
PublikacjaIn the classical approach, cutting forces and cutting power in sawing processes of orthotropic materials such as wood are generally calculated on the basis of the specific cutting resistance kc (cutting force per unit area of cut). For every type of sawing kinematics (frame saws, band saws and circular sawing machines) different empirical values of specific cutting resistance kc have to be applied. It should be emphasised that...
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Analysis of the image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells
PublikacjaWe consider the influence of image force effects on the recombination at the donor-acceptor interface in organic bulk heterojunction solar cells. The conclusion is that the charge carriers of one sign located in the material with lower permittivity recombine at the boundary between donor and acceptor phases. This process competes with the recombination of opposite sign charge carriers, leading to the reduction of the Langevin-type...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Simple Computational Methods in Predicting Limit Load of High-Strength Cold-Formed Sections due to Local Buckling: A Case Study
PublikacjaCold-formed thin-walled sections are prone to local buckling caused by residual stresses, geometrical imperfections and inconsistency of material properties. We present a real case of buckling failure and conduct a numerical and experimental study aimed to identify methods capable of predicting such failures. It is important because designers of structures are getting more FEA-oriented and tend to avoid lengthy procedures of cold-formed...
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Force transfer and stress distribution in short cantilever deep beams loaded throughout the depth with a various reinforcement
PublikacjaDeep beams used as the main reinforced concrete structural elements which taking over the load and stiffening construction are often found in high-rise buildings. The architecture of these buildings is sometimes sophisticated and varied, arouse the admiration of the majority of recipients, and thus causing an engineering challenge to correctly design the structural system and force transfer. In such structures is important to shape...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Active learning on stacked machine learning techniques for predicting compressive strength of alkali-activated ultra-high-performance concrete
PublikacjaConventional ultra-high performance concrete (UHPC) has excellent development potential. However, a significant quantity of CO2 is produced throughout the cement-making process, which is in contrary to the current worldwide trend of lowering emissions and conserving energy, thus restricting the further advancement of UHPC. Considering climate change and sustainability concerns, cementless, eco-friendly, alkali-activated UHPC (AA-UHPC)...
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ECONOMIC GROWTH AND FEMALE LABOR FORCE PARTICIPATION – VERIFYING THE U-FEMINIZATION HYPOTHESIS. NEW EVIDENCE FOR 162 COUNTRIES OVER THE PERIOD 1990-2012.
PublikacjaThe paper contributes by providing new insights into relationship between female labor force and economic growth in 162 world countries over the period 1990-2012. It is anticipated uncovering U-shaped relationship between female labor force participation and economic growth. The analysis is run in two different perspectives – first the relationship is examined for sample encompassing 162 countries; and second – the evidence is...
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The predicting role of substance P in the neoplastic transformation of the hypoplastic bone marrow
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Towards a probabilistic model for predicting ship besetting in ice in Arctic waters
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublikacjaBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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Effects of dispersion on predicting longitudinal concentration profiles in activated sludge reactors
PublikacjaW pracy przedstawiono wpływ dyspersji na prognozowanie stężeń azotu amonowego w komorach osadu czynnego w oczyszczalni ścieków Gdańsk-Wschód. W tym celu wykorzystano jednowymiarowe równanie adwekcji-dyspersji z członem źródłowym (szybkością nitryfikacji). Współczynnik dyspersji został wyznaczony na podstawie pomiarów znacznika fluoroscencyjnego. Model został zweryfikowany w oparciu o pomiary stężeń azotu w 6 sekcjach komory tlenowej...
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A method for predicting main propulsion power for inland waterways push trains
PublikacjaPraca zawiera założenia teoretyczne i model matematyczny metody służącej do wyznaczania wstępnej, przybliżonej prognozy wielkości zapotrzebowanej mocy napędu głównego śródlądowego zestawu pchanego.
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Using Probabilistic Availability Measures for Predicting Targeted Attacks on Network Nodes
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TOPOLOGICAL CLUES FOR PREDICTING OUTCOMES OF MULTIPLAYER ONLINE BATTLE ARENA GAMES
PublikacjaWith 27 million people playing League of Legends every day, e-sports became more and more important part of our everyday life. Rise of its popularity builds a demand for better understanding e-sports mechanics on a deeper level. In the article, we test a hypothesis that it is possible to predict an outcome of Multiplayer Online Battle Arena game based on topological clues only (such as area of polygon where vertices are players...
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CAPABILITY OF IDENTIFYING AND PREDICTING THE TECHNICAL CONDITION OF PLATE HEAT EXCHANGERS IN OPERATION
PublikacjaThe paper presents a test stand for plate heat exchangers, allowing to identify the technical condition and to predict durability of the heat exchangers used aboard the sea-going ships: ”Oceanograf”, ”Władysław Orkan”and a passenger-car ferry, under the condition that they are of the same type and manufactured by the same company. In the first part three different installations with plate heat exchangers in the engine rooms...
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Electromotive Force Measurements in Liquid Li-Si Alloys
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Application of dynamic impedance spectroscopy to atomic force microscopy
PublikacjaMikroskopia sił atomowych jest uniwersalną techniką obrazowania powierzchni podczas gdy spektroskopia impedancyjna jest fundamentalną metodą charakteryzowania właściwości elektrycznych materiałów. Z powyższego względu użyteczne jest połączenie powyższych technik dla uzyskania przestrzennego rozkładu wektora impedancji. W pracy autorzy proponują nowe podejście polegające na połączeniu multiczęstotliwościowego pomiaru impedancyjnego...
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The protein folding problem: global optimization of force fields
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Application of dynamic impedance spectroscopy to atomic force microscopy
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Simulation of Force Spectroscopy Experiments on Galacturonic Acid Oligomers
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Visualization and characterization of prolamellar bodies with atomic force microscopy
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Pounding force response spectrum under earthquake excitation
PublikacjaW artykule przedstawiono możliwość wykorzystania spektrum siły zderzenia jako zaproponowanego przez autora narzędzia pomocnego przy projektowaniu budynków narażonych na zderzenia podczas trzęsień ziemi. Przedstawione wykresy spektrów pokazały, iż właściwy dobór parametrów budowli, takich jak szerokość przerwy pomiędzy budynkami, okres drgań własnych konstrukcji, liczba tłumienia, masa, współczynnik ciągliwości, czy też przesunięcie...
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Decomposition of the wall force acting on the single bubble motion.
PublikacjaW referacie skupiono uwagę na rozkładzie siły hydrodynamicznej działającej na kulę (uproszczony model pęcherzyka) na kierunku prostopadłym do ścianki kanału. Pokazano stanowisko badawcze, omówiono procedurę pomiarową oraz zamiszczono przykładowe wyniki badań eksperymentalnych i modelowania matematycznego.
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Extension of the force-matching method to coarse-grained models with axially symmetric sites to produce transferable force fields: Application to the UNRES model of proteins
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Productivity Enhancement by Prediction of Liquid Steel Breakout during Continuous Casting Process in Manufacturing of Steel Slabs in Steel Plant Using Artificial Neural Network with Backpropagation Algorithms
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Predicting Thrust Loss of Ship Propellers Due to Ventilation and Out-of-Water Effect
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Predicting the Botanical Origin of Honeys with Chemometric Analysis According to Their Antioxidant and Physicochemical Properties
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Predicting the impact of traffic–induced vibrations on buildings using artificial neural networks
PublikacjaTraffic–induced vibrations may constitute a considerable load to a building, cause cracking of plaster, cracks in load–bearing elements or even a global structural collapse of the whole structure [1-4]. Vibrations measurements of real structures are costly and laborious, not justified in all cases. The aim of the paper is to create an original algorithm, to predict the negative dynamic impact on the examined residential building...
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Predicting a passenger ship's response during evasive maneuvers using Bayesian Learning
PublikacjaThe rapidly advancing automation of the maritime industry – for instance, through onboard Decision Support Systems (DSS) – can facilitate the introduction of advanced solutions supporting the process of collision avoidance at sea. Nevertheless, relevant solutions that aim to correctly predict a ship's behavior in irregular waves are only available to a limited extent by omitting the impact of wave stochastics on resulting evasive...
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Potential of Mean Force of Hydrophobic Association: Dependence on Solute Size
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Shape and force control of cable structures with minimal actuators and actuation
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Numerical modeling of force and contact networks in fragmented sea ice
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Synthetic jet actuator efficiency based on the reaction force measurement
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