Filters
total: 290
filtered: 266
Search results for: THEORETICAL PHYSICS
-
Weighted 2-sections and hypergraph reconstruction
PublicationIn the paper we introduce the notion of weighted 2-sections of hypergraphs with integer weights and study the following hypergraph reconstruction problems: (1) Given a weighted graph , is there a hypergraph H such that is its weighted 2-section? (2) Given a weighted 2-section , find a hypergraph H such that is its weighted 2-section. We show that (1) is NP-hard even if G is a complete graph or integer weights w does not exceed...
-
Gossiping by energy-constrained mobile agents in tree networks
PublicationEvery node of an edge-weighted tree network contains a data packet. At some nodes are placed mobile agents, each one possessing an amount of energy (not necessarily the same for all agents). While walking along the network, the agents spend the energy proportionally to the distance traveled and collect copies of the data packets present at the visited network nodes. An agent visiting a node deposits there copies of all currently...
-
Electrical properties of organic and perovskite systems used in solar cells
PublicationNowadays, a great progress in the areas of molecular and hybrid photovoltaics is observed. The devices based on organic and perovskite materials are getting attention mostly due to their low cost production process. However, their efficiency and stability are still lower than for inorganic materials which make them less popular. Therefore, a detailed understanding of the device physics is fundamental for organic and perovskite...
-
A new approach to β-decays studies impacting nuclear physics and astrophysics: The PANDORA setup
PublicationTheory predicts that lifetimes of β-radionuclides can change dramatically as a function of their ionization state. Experiments performed in Storage Rings on highly ionized atom have proven nuclei can change their beta decay lifetime up to several orders of magnitude. The PANDORA (Plasmas for Astrophysics, Nuclear Decay Observation and Radiation for Archaeometry) experiment is now conceived to measure, for the first time, nuclear...
-
Low energy inelastic electron scattering from carbon monoxide: I. excitation of the a3Π, a’3Σ+ and AΠ1 electronic states.
PublicationDifferential scattering cross sections for electron excitation of the three lowest excited electron states of carbon monoxide are obtained experimentally using low-energy electron energy-loss spectroscopy and theoretically using the R-matrix method. The incident electron energies range from near-threshold of 6.3 eV to 20 eV. Experimental scattering angles range from 20◦ to 120◦. The normalization of the experimental cross sections...
-
Surrogate Modeling and Optimization Using Shape-Preserving Response Prediction: A Review
PublicationComputer simulation models are ubiquitous in modern engineering design. In many cases, they are the only way to evaluate a given design with sufficient fidelity. Unfortunately, an added computa-tional expense is associated with higher fidelity models. Moreover, the systems being considered are often highly nonlinear and may feature a large number of designable parameters. Therefore, it may be impractical to solve the design problem...
-
Fractional Spectral and Fractional Finite Element Methods: A Comprehensive Review and Future Prospects
PublicationIn 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...
-
FURTHER REMARKS ON THE SURFACE VIS IMPRESSA CAUSED BY A FLUID-SOLID CONTACT
PublicationIt is well-known that, nano-mechanics should take into account not only physical phenomena occuring within the bulk but, first of all, the physical phenomena appropriate for a surface of two materials contact. The huge volume density of internal surfaces as well countours lines located within the nanomaterial results in our interest in, apart from classical form of mass, momentum and entropy transport, those modes of transportation...
-
Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
-
Rapid Multi-band Patch Antenna Yield Estimation Using Polynomial Chaos-Kriging
PublicationYield estimation of antenna systems is important to check their robustness with respect to the uncertain sources. Since the Monte Carlo sampling-based real physics simulation model evaluations are computationally intensive, this work proposes the polynomial chaos-Kriging (PC-Kriging) metamodeling technique for fast yield estimation. PC-Kriging integrates the polynomial chaos expansion (PCE) as the trend function of Kriging metamodel...
-
Quenching of bright and dark excitons via deep states in the presence of SRH recombination in 2D monolayer materials
PublicationTwo-dimensional (2D) monolayer materials are interesting systems due to an existence of optically non-active dark excitonic states. In this work, we formulate a theoretical model of an excitonic Auger process which can occur together with the trap-assisted recombination in such 2D structures. The interactions of intravalley excitons (bright and spin-dark ones) and intervalley excitons (momentum-dark ones) with deep states located...
-
Anionic states of C6Cl6 probed in electron transfer experiments
PublicationThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
-
Recent progress in experimental studies of electrohydrodynamic flow in electrostatic precipitators
PublicationMany experimental, theoretical and numerical works were devoted to the electrohydrodynamic (EHD) flow generated in electrostatic precipitators (EPSs). The generally accepted conclusion from these studies is that the EHD flow plays an important role in the particle collection in ESPs. However, despite of the recent fast progress in numerical simulation and experimental techniques used in the ESPs studies many problems related to...
-
TIME- AND FREQUENCY-DOMAIN QUASI-2D SMALL-SIGNAL MOSFET MODELS
PublicationA novel approach to small-signal MOSFET modeling is presented in this book. As a result, time- and frequency-domain physics-based quasi-2D NQS four-terminal small-signal MOSFET models are proposed. The time-domain model provides the background to a novel DIBL-included quasi‑2D NQS four-terminal frequency-domain small-signal MOSFET model. Parameters and electrical quantities of the frequency-domain model are described by explicit...
-
Low energy inelastic electron scattering from carbon monoxide: II. Excitation of the b3Σ+, j3Σ+, B1Σ+, C1Σ+ and E1Π Rydberg electronic states
PublicationIn this second part of a two part paper (first part: Zawadzki et al (2020 J. Phys. B: At. Mol. Opt. Phys. 53 165201)) we present differential scattering cross sections for excitation of several Rydberg electronic states of carbon monoxide by electron impact. The first part concerned the low-lying valence states of CO. In the present study cross sections are obtained experimentally using low-energy electron energy-loss spectroscopy...
-
Stark effect of atomic helium singlet lines
PublicationWe present experimental and theoretical investigations of the He spectral series 2S1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) and 2P1−nQ1 (n=3÷9, Q=S,P,D,…,n−1) in electric fields up to 1635 kV/cm. Apart from the allowed transitions with |ΔL|=1, the transitions with |ΔL|=0,2,3,…-without field strictly forbidden-were observed. Several He patterns become similar to hydrogen patterns, which means they are nearly symmetric and show in higher fields...
-
Experimental economics in business education: Using simple games to achieve multifaceted effects
PublicationEconomics differs from other sciences not only because of its normative part, but also because of very limited use of experiments. In this way, economics is often perceived as being methodologically more similar to astronomy or meteorology rather than physics or chemistry. Over last decades, however, experimental economics has been significantly developed. This chapter presents some of the possibilities for academic teachers to...
-
Global Complex Roots and Poles Finding Algorithm in C × R Domain
PublicationAn algorithm to find the roots and poles of a complex function depending on two arguments (one complex and one real) is proposed. Such problems are common in many fields of science for instance in electromagnetism, acoustics, stability analyses, spectroscopy, optics, and elementary particle physics. The proposed technique belongs to the class of global algorithms, gives a full picture of solutions in a fixed region ⊂ C × R and...
-
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
PublicationThe structure of B-DNA, the physiological form of the DNA molecule, has been a central topic in biology, chemistry and physics. Far from uniform and rigid, the double helix was revealed as a flexible and structurally polymorphic molecule. Conformational changes that lead to local and global changes in the helix geometry are mediated by a complex choreography of base and backbone rearrangements affecting the ability of the B-DNA...
-
A Wideband Channel Model for Body Area Networks in Circular Metallic Indoor Environments
PublicationIn this paper, the wideband characterization of the propagation channel in circular metallic indoor environments is addressed, regarding Body Area Networks and 5G small cells, an analytical model for the dependence of the mean delay and the average delay spread on the circle radius, the working frequency and the distance between the transmitter and the receiver being proposed. The derivation of the model is initially done analytically,...
-
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...
-
Topological extraordinary optical transmission
PublicationΤhe incumbent technology for bringing light to the nanoscale, the near-field scanning optical microscope, has notoriously small throughput efficiencies of the order of 10^4-10^5 or less. We report on a broadband, topological, unidirectionally guiding structure, not requiring adiabatic tapering and, in principle, enabling near-perfect (∼100%) optical transmission through an unstructured single arbitrarily subdiffraction slit at...
-
Effect of Different Bromine Sources on the Dual Cation Mixed Halide Perovskite Solar Cells
PublicationRecent research has shown that perovskite solar cells with a mixed dual A-cation have much better structural stability without loss of efficiency than single cation devices. Mixed cation perovskites create a lot of questions about the salts being used for the formation of the best-quality layer. Here, we have investigated three sources of bromide in the perovskite absorption layer, using lead bromide (PbBr2), formamidinium bromide...
-
The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublicationThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
-
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
-
Non-Newtonian Mathematics Instead of Non-Newtonian Physics: Dark Matter and Dark Energy from a Mismatch of Arithmetics
PublicationNewtonian physics is based on Newtonian calculus applied to Newtonian dynamics. New paradigms such as ‘modified Newtonian dynamics’ (MOND) change the dynamics, but do not alter the calculus. However, calculus is dependent on arithmetic, that is the ways we add and multiply numbers. For example, in special relativity we add and subtract velocities by means of addition β1⊕β2=tanh(tanh−1(β1)+tanh−1(β2)), although multiplication β1⊙β2=tanh(tanh−1(β1)⋅tanh−1(β2)),...
-
H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublicationRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
-
Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 ( M = Sr, Ba)
PublicationIntermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tunabilty makes them suitable platforms to realize targeted electronic properties starting from the symmetries hidden in their unit cell. Here, we investigate the family of the recently discovered intermetallics MCo2Al9 (M=Sr, Ba) and we unveil their electronic structure....
-
Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
-
Enhanced energy conversion as a result of fluid-solid interaction in micro- and nanoscale
PublicationIt is known that nano- and micromechanics require new approaches to right describing of surface-like phenomena which lead to an enhanced energy conversion. In this work, a general form of surface forces that consist of a contribution from both the friction and mobility components has been extended to collect the effects of bulk and surface motion of a fluid. Quite similar impact can be observed for a solid-fluid mixture, where...
-
Polyester sail technical woven fabric behaviour under uniaxial and biaxial tensile tests
PublicationThe paper is focused on the identification of mechanical properties of a sail technical woven fabric (yacht sailcloth polyester) style 480 AP with MTO (Medium Tempered Optimized) finish. The non-linear elastic behaviour of the fabric applied for sails is investigated under uniaxial and biaxial tensile tests. Comparison of non-linear elastic parameters with others polyester coated fabrics is made. This paper is intended to be an...
-
Parameter estimation of a discrete model of a reinforced concrete slab
Publication -
Experimental validation of the use of energy transfer ratio (ETR) for damage diagnosis of steel-concrete composite beams
Publication -
Seeking genetic signature of radiosensitivity - a novel method for data analysis in case of small sample sizes
Publication -
ADAPTATION OF ENGINEERING FEA-BASED ALGORITHMS TO LCF FAILURE AND MATERIAL DATA PREDICTION IN OFFSHORE DESIGN
PublicationThere is an ever growing industrial demand for quantitative assessment of fatigue endurance of critical structural details. Although FEA-based calculations have become a standard in engineering design, problems involving the Low-To-Medium cycle range (101-104) remain challenging. This paper presents an attempt to optimally choose material data, meshing density and other algorithm settings in the context of recent design of the...
-
Fe-Al based composite reinforced with ultra-fine Al<sub>2</sub>O<sub>3</sub> oxides for high temperature applications
Publication -
Assessment of fatigue life of aluminized, coarse-grained MAR247 alloy supported by full-field ESPI measurements
Publication -
THE PERFORMANCE OF SELECTED AB INITIO METHODS IN ESTIMATING ELECTRON BINDING ENERGIES OF SUPERHALOGEN ANIONS
Publication -
MOLECULAR SIMULATIONS OF NEOCARZINOSTATIN CHROMOPHORE RELEASE MECHANISM
Publication -
The inverse problem in a hyperbolic section radial compressor.
PublicationNa przykładzie wirnika sprężarki porównano wyniki rozwiązania zadania odwrotnego w ramach modelu 2D prowadzącego do kształtu wirnika, z zadaniem prostym, w ramach modelu 3D, dla skonstruowanego wirnika na bazie modelu 2D.Zasadniczym celem było uzyskanie równomiernych (bez oderwań) pól parametrów w obrębie wirnika sprężarki. Pokazano jak zmiana obrysu wirnika, z klasycznego kształtu stożkowego na hiperboliczny, wpłynąć może na...
-
Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
-
A perfect hashing incremental scheme for unranked trees using pseudo-minimal automata
PublicationWe describe a technique that maps unranked trees to arbitrary hash codes using a bottom-up deterministic tree automaton (DTA). In contrast to other hashing techniques based on automata, our procedure builds a pseudo-minimal DTA for this purpose. A pseudo-minimal automaton may be larger than the minimal one accepting the same language but, in turn, it contains proper elements (states or transitions that are unique) for every input...
-
Toward mechanosynthesis of diamondoid structures: V. Silicon as the material of choice for preliminary implementation of intermediate generation of nano-machine systems
PublicationStosując ostatnio wprowadzony przez Drexlera ''moduł skalowany stałą sieciową'' KLM, porównano dwa potencjalne nano-materiały, krzem i diament. Szczegółowe porównanie właściwości fizycznych i chemicznych wykazuje, że krzem może być rozważany jako materiał z wyboru dla pierwotnej implementacji pośredniej generacji nano-systemów.
-
Towards mechanosynthesis of diamondoid structures: iv. The strategy for preliminary implementation of elenbogen's ''mater as software'' concept
PublicationOpublikowana wcześniej (Molecular Electronics and Molecular Electronic Devices, Vol. 1, Chap. 2, CRC Press, Inc. 1993, pp. 31-83) strategia budowy molekularnych urządzeń ulektronicznych w oparciu o polisilany jest rozszerzona w kierunku koncepcji Ellenbogena ''mater as software'' poprzez rozważenie użycia zamkniętej jednościennej nanorórki jako ostrza STM w celu umożliwienia manipulacji cząsteczkami sililenu.
-
The use of response surface methodology for reliability estimation of composite engineering structures
Publication -
Determination of Mechanical Properties of P91 Steel by Means of Magnetic Barkhausen Emission
PublicationIn this work, an attempt at determination of mechanical properties by means of a method based on magnetic Barkhausen emission measurements was proposed. The specimens made of P91 steel were subjected to creep or plastic flow which were interrupted after a range of selected time periods in order to achieve specimens with an increasing level of strain. Subsequently, measurements of magnetic Barkhausen emission were carried out, and...
-
Cyclic deformation and fracture behaviour of additive manufactured maraging steel under variable-amplitude loading
PublicationThe cyclic deformation and fracture behaviour of 18Ni300 maraging steel produced by laser beam powder bed fusion is studied under variable-amplitude loading. The tests were conducted under fully-reversed strain-controlled conditions with a loading sequence comprising three ascending cycles and three descending cycles repeated sequentially until failure. After the tests, fracture surfaces were examined using height and volume surface...
-
The elasto-plastic numerical study of crack initiation in notched PMMA specimens under uniaxial loading conditions – Tension and torsion
PublicationThis paper presents the results of FEM numerical calculations aimed at describing the plastic strain and stress fields under critical loading conditions: tensile force or torsional moment. The calculations were carried out with reference to the results of experimental tensile and torsional tests of flat PMMA specimens weakened with V-notches of different root radii: 0.5, 2 and 10 mm. The procedure for conducting nonlinear numerical...
-
Orientation effects on the fracture behaviour of additively manufactured stainless steel 316L subjected to high cyclic fatigue
PublicationIn this paper, stainless steel 316L (SS316L) bars were additively manufactured (AM) in three orientations (Z – vertical, XY – horizontal, ZX45 – midway between vertical and horizontal) by using the Laser Powder Bed Fusion Melting (LPBF-M) method. The AM specimens were subjected to load control fatigue testing under full tension and compression (R = -1) at stress amplitudes ±350, ±400 and ±450 MPa. The XY and ZX45 printing orientations...
-
Fracture prediction in flat PMMA notched specimens under tension - effectiveness of the equivalent material concept and fictitious material concept
PublicationThe fracture of notched elements under mode I loading (tension) remains an inexhaustible research topic, especially when it comes to the fracture of thermoplastic materials such as polymethylmethacrylate (PMMA), which experience considerable plastic strains under tension. The paper points out that traditional brittle fracture criteria such as mean stress (MS) or maximum tangential stress (MTS) criteria used to predict this phenomenon do...