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Search results for: large language models
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Structural properties of water: Comparison of the SPC, SPCE, TIP4P and TIP5P models of water
PublicationDla czterech najpopularniejszych modeli wody obliczono wartości entropii absolutnej ciekłej wody w temperaturze 298 K, średnią liczbę wiązań wodorowych tworzonych przez cząsteczkę wody, średni czas życia wiązania wodorowego, średni czas życia cząsteczki wody w stanie związanym (gdy tworzy ona co najmniej jedno wiązanie wodorowe) oraz średnią energię wiązania wodorowego. Otrzymane rezultaty porównano z eksperymentem. Uzyskane wyniki...
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Compatible DC and small-signal MOSFET models for radio and microwave frequency simulation
PublicationZaprezentowano nowy model stałoprądowy tranzystora MOS i kompatybilny z nim uogólniony nie-quasi-statyczny model małosygnałowy. Model stałoprądowy został eksperymentalnie zweryfikowany dla tranzystorów MOS o długości kanału od 75 nm do kilkunastu mikrometrów, a model małosygnałowy od zera herców do 30 GHz.
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Testing interaction models by using x-ray absorption spectroscopy: solid Pb
PublicationPraca prezentuje zastosowanie metody EXAFS jako narzędzia do testowania potencjałów oddziaływań międzyatomowych używanych w symulacjach dynamiczno-molekularnych na przykładzie czystego ołowiu w fazie stałej (od temperatury pokojowej do temperatury topnienia). Testowaniu poddano następujące potencjały: dwuciałowy empiryczny potencjał Dzugutova, Larssona i Ebbsjo (DLE), potencjał ciasnego wiązania (TB) i potencjał w modelu osadzonego...
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A concept of application of the technical state change models of devices inship operation process
PublicationPrzedstawiono warunki zastosowania modeli zmian stanu technicznego urządzeń siłowni okrętowej w trakcie eksploatacji statku, koncepcję prognozowania zasobu godzin pracy urządzeń w zmiennych warunkach pływania oraz planowania obsług profilaktycznych.
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Environmentally Oriented Models and Methods for the Evaluation of Drug x Drug Interaction Effects
PublicationThis detailed review compares known and widely used methods for drug interaction estimation, some of which now have historical significance. Pharmaceutical application has been noted as far back as several thousand years ago. Relatively late in the 20th century, however, researchers became aware that their fate and metabolism, which still remain a great challenge for environmental analysts and risk assessors. For the patient’s...
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Cadmium tri-tert-butoxysilanethiolates: Structural and spectroscopic models of metal sites in proteins
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THE PULSE DESCRIPTORS IN SENSITIVITY STUDIES OF NO-SORPTION AND SINGLE-SORPTION COLUMN TRANSPORT MODELS
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“Silver Economy” Models in the European Union in the Comparative Approach: An Attempt to Introduce Discussion
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublicationW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublicationOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Inverse surrogate models for fast geometry scaling of miniaturized dual-band couplers
PublicationRe-design of microwave structures for various sets of performance specifications is a challenging task, particularly for compact components where considerable electromagnetic (EM) cross-couplings make the relationships between geometry parameters and the structure responses complex. Here, we address geometry scaling of miniaturized dual-band couplers by means of inverse surrogate modeling. Our approach allows for fast estimation...
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Fast Antenna Optimization Using Gradient Monitoring and Variable-Fidelity EM Models
PublicationAccelerated simulation-driven design optimization of antenna structures is proposed. Variable-fidelity electromagnetic (EM) analysis is used as well as the trust-region framework with limited sensitivity updates. The latter are controlled by monitoring the changes of the antenna response gradients. Our methodology is verified using three compact wideband antennas. Comprehensive benchmarking demonstrates its superiority over both...
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Modelling of strain localization in quasi-brittle materials with non-local continuum models
PublicationW artykule przedstawiono wyniki numerycznej lokalizacji odkształceń w elementach betonowych przy zastosowaniu modelu sprężysto-plastycznego i modelu z degradacja sztywności. Do opisu rys, model rozszerzono o składniki nielokalne. Obliczenia wykonano dla prostych problemów brzegowych
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Switched-capacitor DC-DC converters in arbitrary switching mode - topologically derived resistive models based on incremental graph approach.
PublicationIn the preceding paper we reviewed some of modeling approaches aimed at systematic formulation and solution of switched capacitor DC-DC converters. In our review, special attention was paid to computationally efficient and mathematically elegant methods. In so doing we had tried to demonstrate the virtues of unified Incremental Graph (IG) approach. Incremental Graph is, in concept, a tool originally created for analysis and synthesis...
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LOCAL E-MARKETING AND PHARAMACY SELECTION PROCESS AMONG CURRENT AND PROSPECTIVE CONSUMERS
PublicationWORK OBJECTIVES: To examine whether and to what extent a company's presence in Google Search mobile results, and Google Maps service search results, affects pharmacies' acquisition of new consumers RESEARCH QUESTIONS: Does the presence of pharmacies in Google MyBusiness increase the number of their customers ? Is the increase in the...
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Energy resolution and light yield non-proportionality of ZnSe:Te scintillator studied by large area avalanche photodiodes and photomultipliers
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Large scale complementary solar and wind energy sources coupled with pumped-storage hydroelectricity for Lower Silesia (Poland)
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Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction
PublicationMany material device applications would benefit from thin diamond coatings, but current growth techniques, such as chemical vapor deposition (CVD) or atomic layer deposition require high substrate and gas‐phase temperatures that would destroy the device being coated. The development of freestanding, thin boron‐doped diamond nanosheets grown on tantalum foil substrates via microwave plasma‐assisted CVD is reported. These diamond...
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Regarding to functional outcomes after extracapsular dissection with partial facial nerve dissection for small and large parotid neoplasms
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Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation
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A systematic approach to understand hydrogeochemical dynamics in large river systems: Development and application to the River Ganges (Ganga) in India
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Large deformations formulation and elastic instability of single layer nanoplate embedded on polymer medium in nonlocal continuum mechanic
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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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Large-Scale and Low-Cost Motivation of Nitrogen-Doped Commercial Activated Carbon for High-Energy-Density Supercapacitor
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Distributed System for Monitoring of the Large Scale Infrastructure Structures Based on Analysis of Changes of its Static and Dynamic Properties
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Effect of dietary inclusion of 1% or 3% of native chicory inulin on the large intestinal mucosa proteome of growing pigs
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Fast EM-Driven Nature-Inspired Optimization of Antenna Input Characteristics Using Response Features and Variable-Resolution Simulation Models
PublicationUtilization of optimization technique is a must in the design of contemporary antenna systems. Often, global search methods are necessary, which are associated with high computational costs when conducted at the level of full-wave electromagnetic (EM) models. In this study, we introduce an innovative method for globally optimizing reflection responses of multi-band antennas. Our approach uses surrogates constructed based on response...
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Język białoruski w leksykografii polskiej. Bibliografia słowników (za lata 1807–2012) [The Byelorussian language in the Polish lexicography. A bibliography of dictionaries for the years 1807–2012]
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Large‐Scale Traveling Ionospheric Disturbances Over the European Sector During the Geomagnetic Storm on March 23–24, 2023: Energy Deposition in the Source Regions and the Propagation Characteristics
PublicationMultiple Large-Scale Traveling Ionospheric Disturbances (LSTIDs) are observed in the European sector in both day-time and night-time during the magnetic storm on March 23–24, 2023. The Total Electron Content (TEC) observation from a network of GNSS receivers shows the propagation of LSTIDs with amplitudes between around 0.5 and 1 TECU originating from auroral and polar cusp regions down to southern Europe (35°N) with velocities...
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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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Aqueous solutions of NMA, Na2HPO4 , and NaH2PO4 as models for interaction studies in phosphate–protein systems
PublicationPhosphate buffers are essential for many areas of studies. However, their influence on buffered systems is often ignored. The phosphate salts can interact with biologically important macromolecules (e.g. proteins) and stabilize or destabilize them. With our research, we want to answer question what kind of interactions, if any, occur between phosphate ions and a protein backbone model — N-methylacetamide (NMA). ATR-FTIR spectroscopy...
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Macro models of casualties in road transport. Modelowanie strat osobowych w transporcie drogowym.
PublicationW referacie przedstawiono propozycję makro modelu strat osobowych ponoszonych w wypadkach drogowych. Zaproponowano modele liczby ofiar śmiertelnych wypadków drogowych zbudowanych na bazie danych z kilkudziesięciu krajów całego świata. Przedstawione koncepcje budowy modeli mogą posłużyć do opracowania modeli czynnikowych opisujących strategiczne ryzyko społeczne na sieci dróg wybranych krajów z całego świata. jedną z koncepcji...
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Organizational culture and coopetition: An exploratory study of the features, models and role in the Polish Aviation Industry
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Optimization of briquetting technology of fine-grained metallurgical materials based on statistical models of compressibility
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Numerical analysis of settlement of a high-rise building using two constitutive soil models
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Prediction of Peptide Retention at Different HPLC Conditions from Multiple Linear Regression Models
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Theoretical and mathematical models of the torque of mechanical losses in a hydraulic rotational motor for hydrostatic drive
PublicationW pracy przedstawiono modele teoretyczne i matematyczne momentu strat mechanicznych występujących w silniku hydraulicznym obrotowym o stałej teoretycznej chłonności qMt silnika na obrót wału (o stałej teoretycznej objętości roboczej VMt silnika) i o zmiennej chłonności qMgv = bM qMt na obrót wału (o zmiennej geometrycznej objętości roboczej VMgv silnika). Modele mają służyć badaniom laboratoryjnym i symulacyjnym strat energetycznych...
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Theoretical calculation of pKas of phosphoric (V) acidin the polarisable continuum and cluster-continuum models
PublicationW pracy oceniono dokładność modelu polaryzowalnego kontinuum (PCM) i mieszanego modelu klaster-kontinuum do przewidywania wartości trzech kolejnych stałych dysocjacji kwasu fosforowego (V). Obliczenia PCM na poziomie MP2/6-31+G(d,p) odtwarzają wartość pierwszego pKa z rozsądną niepewnością, jednak wartości kolejnych pKa obarczone są bardzo dużym błędem, nawet po podniesieniu poziomu teorii do metody zespolonej G3B3. Dopiero obliczenia...
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Semi-Markow Processes as Models of Devices´ Operating Process of Ship Pro-pulsion System
PublicationReferat zawiera formalny opis procesu eksploatacji urządzeń.
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Vessel Energy Requirement Prediction from Acceleration Stage Towing Tests on Scale Models
PublicationOne of the most crucial tasks for naval architects is computing the energy required to meet the ship’s operational needs. When predicting a ship’s energy requirements, a series of hull resistance tests on a scale model vessel is carried out in constant speed stages, while the acceleration stage measurements are ignored. Another important factor in seakeeping analysis is the ship’s hydrodynamic added mass. The second law of dynamics...
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SCRAMBLE’N’GAMBLE: a tool for fast and facile generation of random data for statistical evaluation of QSAR models
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Macro Models of Casualties in Road Transport / Modelowanie Strat Osobowych W Transporcie Drogowym
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Design and Analysis of Artificial Neural Network (ANN) Models for Achieving Self-Sustainability in Sanitation
PublicationThe present study investigates the potential of using fecal ash as an adsorbent and demonstrates a self-sustaining, optimized approach for urea recovery from wastewater streams. Fecal ash was prepared by heating synthetic feces to 500 °C and then processing it as an adsorbent for urea adsorption from synthetic urine. Since this adsorption approach based on fecal ash is a promising alternative for wastewater treatment, it increases...
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Recent advances in traffic optimisation: systematic literature review of modern models, methods and algorithms
PublicationOver the past few decades, the increasing number of vehicles and imperfect road traffic management have been sources of congestion in cities and reasons for deteriorating health of its inhabitants. With the help of computer simulations, transport engineers optimise and improve the capacity of city streets. However, with an enormous number of possible simulation types, it is difficult to grasp valuable, innovative solutions which...
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Comparison of Mathematical Models of Torque Transmitted by Multi-disc Wet Clutch with Experimental Results
PublicationIn this article was described the methodology for the experimental study of flows in the prototype of a satellite hydraulic motor with a rotating body. The experimental tests of the motor were carried out at a low constant rotational speed in a wide range of pressure drop in this motor. The constant rotational speed of the motor was kept by a worm gear. Based on the test results, the leakage characteristics in the flat gaps of...
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Large eddy simulations of wall-bounded flows using a simplified immersed boundary method and high-order compact schemes
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Highly efficient organic electrophosphorescent light-emitting diodes with a reduced quantum efficiency roll off at large current densities.
PublicationW pracy opisano diody elektrofosforescencyjne zbudowane na bazie organicznych komplesów platyny PtOEP oraz Pt(thpy)2. Pokazano, ze mechanizmem ograniczjącym wydajność świecenia tych diod w zakresiedużych prądów elektycznych jest elektrycznopolowa dysocjacja ekscytonutrypletowego z transferem dziury na molekułę TPD.
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Experimental and model-based evaluation of the role of denitrifying polyphosphate accumulating organisms at two large scale WWTPs in northern Poland
PublicationW pracy dokonano oceny zdolności denitryfikacyjnych bakterii fosforowych na przykładzie oczyszczalni ścieków ''Wschód'' w Gdańsku i ''Dębogórze'' w Gdyni. W tym celu wykonano serię testów z wykorzystaniem tzw. reaktora ''wsadowego'', które następnie były modelowane za pomocą modelu ASM2d. Badania wykazały, że tylko 32% bakterii fosforowych posiada zdolność do denitryfikacji. Szybkość denitryfikacji związana z aktywnością bakterii...
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Organic Vapor Sensing Mechanisms by Large-Area Graphene Back-Gated Field-Effect Transistors under UV Irradiation
PublicationThe gas sensing properties of graphene back-gated field-effect transistor (GFET) sensors toward acetonitrile, tetrahydrofuran, and chloroform vapors were investigated with the focus on unfolding possible gas detection mechanisms. The FET configuration of the sensor device enabled gate voltage tuning for enhanced measurements of changes in DC electrical characteristics. Electrical measurements were combined with a fluctuation-enhanced...