Filters
total: 707
filtered: 519
Search results for: ENERGY MODEL
-
Torsional elasticity and energetics of F1-ATPase
PublicationFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
-
The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
-
The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
-
On thermal stability of piezo-flexomagnetic microbeams considering different temperature distributions
PublicationBy relying on the Euler–Bernoulli beam model and energy variational formula, we indicate critical temperature causes in the buckling of piezo-flexomagnetic microscale beams. The corresponding size-dependent approach is underlying as a second strain gradient theory. Small deformations of elastic solids are assessed, and the mathematical discussion is linear. Regardless of the pyromagnetic effects, the thermal loading of the thermal...
-
Carboxylation Enhances Fragmentation of Furan upon Resonant Electron Attachment
PublicationWe report a dissociative electron attachment study to 2-furoic acid (C5H4O3) isolated in a gas phase, which is a model molecule consisting of a carboxylic group and a furan ring. Dissociation of furan by low energy electrons is accessible only via electronic excited Feshbach resonances at energies of incident electrons above 5 eV. On the other hand, carboxylic acids are well- known to dissociate via attachment of electrons at subexcitation energies....
-
Quest for the Molecular Basis of Improved Selective Toxicity of All-Trans Isomers of Aromatic Heptaene Macrolide Antifungal Antibiotics
PublicationThree aromatic heptaene macrolide antifungal antibiotics, Candicidin D, Partricin A (Gedamycin) and Partricin B (Vacidin) were subjected to controlled cis-trans to all trans photochemical isomerization. The obtained all-trans isomers demonstrated substantially improved in vitro selective toxicity in the Candida albicans cells: human erythrocytes model. This effect was mainly due to the diminished hemotoxicity. The molecular modeling...
-
Crystal structure and electronic structure of CePt2In7
PublicationWe report a corrected crystal structure for the CePt2In7 superconductor, refined from single crystal x-ray diffraction data. The corrected crystal structure shows a different Pt–In stacking along the c-direction in this layered material than was previously reported. In addition, all of the atomic sites are fully occupied with no evidence of atom site mixing, resolving a discrepancy between the observed high resistivity ratio of...
-
Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublicationPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
-
Core loss resistance impact on sensorless speed control of an induction motor using hybrid adaptive sliding mode observer
PublicationInduction motors (IMs) experience power losses when a portion of the input power is converted to heat instead of driving the load. The combined effect of copper losses, core losses, and mechanical losses results in IM power losses. Unfortunately, the core losses in the motor, which have a considerable impact on its energy efficiency, are not taken into account by the generally employed dynamic model in the majority of the studies. Due...
-
Damage-Involved Structural Pounding in Bridges under Seismic Excitation
PublicationDuring severe earthquakes, pounding between adjacent superstructure segments of highway elevated bridges was often observed. It is usually caused by the seismic wave propagation effect and may lead to significant damage. The aim of the present paper is to show the results of the numerical analysis focused on damage-involved pounding between neighbouring decks of an elevated bridge under seismic excitation. The analysis was carried...
-
ACTIVATED BIOCHAR AS AN ADSORBENT OF ORGANIC POLLUTANTS FOR WATER AND WASTEWATER TREATMENT
PublicationThe use of biomass, especially waste biomass, as an alternative energy source is a very important issue today. Pyrolysis is a process of thermal degradation of raw material and one of its products is biochar. This product is mainly distinguished by its high carbon content, and by improving its quality through activation, it can be more widely used. Activated biocarbon has a strongly developed surface and porous structure, and as...
-
Zarządzanie zaufaniem w bezprzewodowych sieciach czujników - studium przypadku
PublicationW artykule przedstawiono studium przypadku dotyczące zastosowania bezprzewodowej sieci czujników do wspomagania pacjenta z nadwagą w jego środowisku domowym. Przyjęto, że sieć wykorzystuje metodę rozproszonego zarządzania zaufaniem i pokazano, że metoda ta umożliwia wykrycie i izolację czujników realizujących działania sprzeczne z polityką sieci. Ilościowe oszacowanie czasu niezbędnego do wykrycia takich...
-
On a 3D material modelling of smart nanocomposite structures
PublicationSmart composites (SCs) are utilized in electro-mechanical systems such as actuators and energy harvesters. Typically, thin-walled components such as beams, plates, and shells are employed as structural elements to achieve the mechanical behavior desired in these composites. SCs exhibit various advanced properties, ranging from lower order phenomena like piezoelectricity and piezomagneticity, to higher order effects including flexoelectricity...
-
A new fuzzy model of multi-criteria decision support based on Bayesian networks for the urban areas' decarbonization planning
Publication -
Experimental study and numerical simulation on porosity dependent direct reducibility of high-grade iron oxide pellets in hydrogen
PublicationThe transition to more environmentally friendly steel production methods has intensified research into hydrogen-based direct reduction (HyDR) of iron oxide pellets. The aim of this study is to systematically investigate the kinetics of the reduction process, the evolution of porosity and the resulting microstructural changes on the reduction behavior of high-quality pellets during HyDR of iron ore at different temperatures. A modified...
-
A new hyperbolic-polynomial higher-order elasticity theory for mechanics of thick FGM beams with imperfection in the material composition
PublicationA drawback to the material composition of thick functionally graded materials (FGM) beams is checked out in this research in conjunction with a novel hyperbolic‐polynomial higher‐order elasticity beam theory (HPET). The proposed beam model consists of a novel shape function for the distribution of shear stress deformation in the transverse coordinate. The beam theory also incorporates the stretching effect to present an indirect...
-
Physicochemical Properties and Application of Silica-Doped Biochar Composites as Efficient Sorbents of Copper from Tap Water
PublicationThis article concerns research on new sorption materials based on silica-doped activated carbon. A two-stage synthesis involved pyrolysis of plant material impregnated in a water glass solution , followed by hydrothermal activation of the pyrolysate in KOH solution. The resulting composite can be used as a sorbent in drinking water filters. The proposed method of synthesis enables the design of materials with a surface area...
-
An overview of the strategies for the deammonification process start-up and recovery after accidental operational failures
PublicationThe deammonification process has been universally acknowledged as an energy-efficient technology for sewage disposal. In contrast with traditional biological nitrogen removal technology, the deammonification process is able to remove ammonia from wastewater with the simplest nitrogen removal process because of its advantages of lower operating expenses, no organic carbon consumption, lower biomass production, lower carbon dioxide...
-
Mechanical Strength of MV Ship-switchgear During Fault Arc
PublicationIn the paper the analysis of pressure stressed in enclosure during fault arc inside switchgear is pre-sented as well. There is introduced the method based on determining stresses which are sum of tensile stresses (membrane) and deflection stresses. For tensile stresses nalysis the energy method, for unrestrainedly supported rectangular plate, was used. In the further part of the paper, the calculations and measurements results...
-
Numerical simulation of temperature distribution of heat flow on reservoir tanks connected in a series
PublicationThe flow of temperature distribution through a medium in thermodynamic studies plays an important role in understanding physical phenomena in chemical science and petroleum engineering, while temperature distribution indicates the degree of reaction that must be undergone to obtain the final product. Therefore, this paper aims to present and apply the exponential matrix algorithm (EMA), differential transformation algorithm (DTA),...
-
Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublicationIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
-
Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublicationThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
-
Dynamiczna aplikacja Internetowa ASP.NET silnika indukcyjnego jako elementu wirtualnego laboratorium maszyn elektrycznych
PublicationTematem referatu jest dynamiczna aplikacja internetowa, która umożliwia symulację obwodową silnika indukcyjnego trójfazowego Sg 100 L2 z wykorzystaniem interfejsu przeglądarki WWW. Model matematyczny silnika jest zdefiniowany w tzw. osiach naturalnych i sformułowany na podstawie metody energetycznej Lagrange’a. Do implementacji modelu maszyny w aplikacji internetowej wybrano projekt typu Web Forms, który jest składnikiem środowiska...
-
A finite element analysis of thermal energy inclination based on ternary hybrid nanoparticles influenced by induced magnetic field
PublicationThe use of hybrid nanoparticles to improve thermal processes is a key method that has implications for a variety of interventions utilized in many sectors. This paper aimed to look into the impacts of ternary nanoparticles on hyperbolic tangent materials to establish their thermal characteristics. Flow describing equations have been explored in the presence of heat production, non-Fourier heat flux, and an induced magnetic field....
-
An Automatic Self-Tuning Control System Design for an Inverted Pendulum
PublicationA control problem of an inverted pendulum in the presence of parametric uncertainty has been investigated in this paper. In particular, synthesis and implementation of an automatic self-tuning regulator for a real inverted pendulum have been given. The main cores of the control system are a swing-up control method and a stabilisation regulator. The first one is based on the energy of an inverted pendulum, whereas the second one...
-
Effect of osmolytes on the thermal stability of proteins: replica exchange simulations of Trp-cage in urea and betaine solutions
PublicationAlthough osmolytes are known to modulate the folding equilibrium, the molecular mechanism of their effect on thermal denaturation of proteins is still poorly understood. Here, we simulated the thermal denaturation of a small model protein (Trp-cage) in the presence of denaturing (urea) and stabilizing (betaine) osmolytes, using the all-atom replica exchange molecular dynamics simulations. We found that urea destabilizes Trp-cage...
-
Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
-
Mechatronic design o strongly nonlinear systems on a basis of three wheeled mobile platform
PublicationRemarkable grow in demand both of mobile platform operability performance and reduction of project leading time development encourage to apply modern algorithms and reliable engineering tools for the design process. The paper discusses the mechatronic design applied for the surveillance system based on the energy performance index algorithm. The exploited mechatronic techniques i.e. virtual prototyping, Hardware-In-the-Loop Simulation...
-
Effect of adhesive compliance in the assessment of soft adhesives with the wedge test
PublicationWedge tests are usually analysed assuming that the free, unbonded members may be treated as encastré cantilever beams. However, if the adhesive layer is sufficiently flexible (e.g., due to low elastic modulus), then significant strain in the bonded region may occur and lead to modification of the behaviour outside this region. Using in conjunction a sensitive strain gauge method on asymmetric wedge tests and a mathematical analysis...
-
Crystallization kinetics study of dynamically vulcanized PA6/NBR/HNTs nanocomposites by nonisothermal differential scanning calorimetry
PublicationInvestigation of crystallization behavior and kinetics of thermoplastic elastomer nanocomposites was the subject of limited works because of complexities associated with semiexperimental modeling of such phenomenon in a system containing components having completely different behavior in the molten state. Nonisothermal crystallization kinetics of dynamically vulcanized PA6/NBR/HNTs thermoplastic elastomer nanocomposites was mathematically...
-
The Influence of Low-Temperature Disintegration on the Co-Fermentation Process of Distillation Residue and Waste-Activated Sludge
Publication: Innovative low-temperature disintegration (process temperature 55 ◦C and oxygen concentration 0.2 mg/dm3 ) can be an economically rational technology to intensifying energy production from renewable sources. The proposed process can achieve a degree of disintegration—under optimal conditions—of about 50%, which is excellent when compared with other methods of feed pre-treatment. The low-temperature disintegration of distillation...
-
Modelling of laminated glass PVB walls of buildings exposed to vehicle impact with different speeds
PublicationThis paper presents an analytical model, developed for laminated glass subjected to a low-velocity impact. It has the ability to capture glass cracks as well as large non-linear deformations. It is based mathematically on the firstorder deformation concept, which considers the effect of membrane and transverse shear as well as bending. This theory uses damage mechanics to capture the glass cracking. For this purpose, several experiments...
-
Skuteczne prognozowanie krótkoterminowe mocy farm wiatrowych
PublicationPrognozowanie mocy wytwórczej konkretnej farmy wiatrowej (FW) w horyzoncie 24-godzinnymwymaga zarówno wiarygodnej prognozy wietrzności, jak i narzędzi wspomagających. Narzędzie to jest dedykowanym modelem mocy farmy. Model powinien uwzględniać nie tylko ogólne zasady przetwarzania energii wiatru na energię mechaniczną, ale także cechy szczególnekonkretnej farmy. Liczba czynników wpływających na moc farmy jest duża i dokładna prognozamocy,...
-
Why the Solvation Water around Proteins Is More Dense than Bulk Water
PublicationThe main aim of this work is to propose a rational explanation of the commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that the geometry of the water–water hydrogen bond network within solvation layer differs from the one in bulk water, and it is the result of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the...
-
Why the solvation water around proteins is more dense than bulk water
PublicationThe main aim of this work is to propose a rational explanation of commonly observed phenomenon of increasing water density within solvation shell of proteins. We have observed that geometry of the water-water hydrogen bond network within solvation layer differs from the one in bulk water and it is the effect of interactions of water molecules with protein surface. Altered geometry of the network reflects changes in the structure...
-
Numerical analysis of lumbar spine injury during road safety barrier collision
PublicationPurpose: Enhancing road safety is a critical goal worldwide, necessitating the development of clear standards for road safety systems. This study focuses on lumbar spine (L-spine) compression injuries during collisions with concrete road safety barriers (RSBs). It aims to analyze internal forces during impact to understand L-spine injury biomechanics in such accidents. Methods: The research included a literature review, analyzing...
-
Modelling and analysis of medium frequency transformers for power converters
PublicationThe evolutions in power systems and electric vehicles, related to the economic opportunities and the environmental issues, bring the need of high power galvanically isolated DC-DC converter. The medium frequency transformer (MFT) is one of its key components, enabled by the increasing switching frequency of modern power semiconductors like silicon carbide transistors or diodes. The increased operating frequency offers small...
-
Multiple reference frame theory in the synchronous generator model considering harmonic distortions caused by nonuniform pole shoe saturation
PublicationThe paper describes a synchronous generator model developed based on the multiple reference frame theory. The main physical phenomena included in the model are the machine armature non-sinusoidal voltage waveform and the influence of armature current in load conditions on the armature voltage waveform higher harmonic components. The modified multiple reference frame theory model is proposed. In this modified theory model the field...
-
Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publicationabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
-
Experimental test results of an automatic voltage regulator with independent phase voltage controllers
PublicationThe growing number of distributed renewable energy sources and dynamic constant-power loads (e.g. electric vehicle charging stations) pose new challenges for network operators. These changes result in alterations to network load profiles and load flows, leading to greater voltage volatility. One effective solution to these problems can be the use of automatic voltage regulators (AVRs), which stabilize and symmetrize voltage output,...
-
M-BDC (M = Co and/ or Fe) MOFs as effective catalysts for hydrogen generation via hydrolysis of sodium borohydride
PublicationMono- (Co-BDC, Fe-BDC) and bimetallic FeCo-BDC Metal-Organic Frameworks are successfully synthesized by the solvothermal method in DMF at 150 °C within 15 h and tested as catalysts for sodium borohydride hydrolysis. The materials are characterized by FTIR, PXRD, TGA, ICP-OES, H2-TPR, BET model, and SEM-EDS. The catalytic activity of these materials is studied for dehydrogenation of sodium borohydride in water at various temperatures...
-
To what extent can hyperelastic models make sense the effect of clay surface treatment on the mechanical properties of elastomeric nanocomposites?
PublicationThe poor knowledge about nonlinear mechanical behavior of elastomer nanocomposites arises from the incomplete information on the interface. Application of hyperelastic models provides more insights into the nature and the situation of interaction between the elastomeric matrix and nanofillers. The current work seeks to address the effect of interphase strength on tensile properties of the elastomer nanocomposites under large deformations....
-
Comparison of heat transfer characteristics in surface cooling with boiling microjets of water, ethanol and HFE7100
PublicationThe basis of microjet technology is to produce jets which impinge the surface at the stagnation point with a very high kinetic energy. Main objective of this paper was to investigate the physical phenomena occurring on solid surfaces upon impingement of the single microjet in case of three fluids, namely water, ethanol and HFE7100. Intense heat transfer in the impact zone of microjet has been examined and described with precise...
-
An in situ technique for the assessment of adhesive properties of a joint under load
PublicationSlow crack propagation in adhesive bonded joints has been characterised using an asymmetric wedge test. Crack position was evaluated from strain gauge measurements, both in the debonded partof the joint and in the bonded zone. Test temperature was changed during loading, giving insight into bond evolution. The technique allows accurate, and virtually continuous, determination of crack position to be made, and therefore the evaluation...
-
Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
-
Propagation of Ship-Generated Noise in Shallow Sea
PublicationContamination of sea environment by noise and any energy radiated to water constitutes today a problem to which more and more attention is paid, in view, a.o., of consequences of an impact of these factors onto marine fauna. European Union has introduced a directive by which EU countries are made responsible to undertake efforts aimed at reaching a good envirenmental status of European seas by 2020. A main source of underwater...
-
Machine-learning methods for estimating compressive strength of high-performance alkali-activated concrete
PublicationHigh-performance alkali-activated concrete (HP-AAC) is acknowledged as a cementless and environmentally friendly material. It has recently received a substantial amount of interest not only due to the potential it has for being used instead of ordinary concrete but also owing to the concerns associated with climate change, sustainability, reduction of CO2 emissions, and energy consumption. The characteristics and amounts of the...
-
A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublicationTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
-
Concept of 'Good Urban Governance' and Its Application in Sustainable Urban Planning
PublicationContemporary urban theory and practice in the post-industrial era is increasingly often turning towards an approach based on sustainable development. That concept bearing the traits of a paradigm has grown on the ground of broad quest for an alternative to the existing development model of the industrial civilisation. It has gained wide social acceptance and is the basis for many development and environmental programmes at the...
-
Metody strojenia regulatorów typu PID z wykorzystaniem technologii syntezy regulatorów od stanu
PublicationUkłady sterujące typu PID są jednymi z najbardziej popularnych regulatorów wykorzystywanych w układach regulacji. W związku z tym znanych jest szereg metod doboru wartości ich parametrów (nastaw). Obok różnych metod inżynierskich czy analitycznych strojenia tego typu regulatorów, dostępne są również podejścia bazujące na optymalizacji. Wskaźnikiem jakości znajdującym w nich zastosowanie jest np. całka z kwadratu uchybu. W artykule...