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Wyniki wyszukiwania dla: WAVEPACKETS IN QUANTUM MECHANICS
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Low-energy positron scattering from gas-phase uracil
PublikacjaQuantum scattering calculations are presented for the interaction of low energy positrons with the uracil molecule, an important component of biological systems. The rotational elastic and inelastic cross sections and vibrational inelastic cross sections are reported and compared with existing experiments, indicating a general trend of the cross sections different from the experimental findings and in line with what should be expected...
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The influence of anchoring group position in ruthenium dye molecule on performance of dye-sensitized solar cells
PublikacjaThe effect of anchoring group position and, in consequence, the orientation of the ruthenium dye molecule on titania surface on the performance of dye-sensitized solar cells has been studied intensively. Three model ruthenium sensitizing dyes bearing carboxylic anchoring group in ortho, meta or para position were synthesized and well characterized by spectroscopic, electrochemical, photophysical and photochemical measurements....
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Vibrational excitation of acetylene by positron impact
PublikacjaVibrationally inelastic quantum calculations are carried out at low collision energies for the scattering of a beam of positrons off acetylene gaseous molecules. The normal mode analysis is assumed to be valid and the relative fluxes into the C–C and C–H symmetric vibrational modes are computed within a Body-Fixed (BF) formulation of the dynamics by solving the relevant vibrational Coupled Channels (VCC) equations. The clear dominance...
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Entanglement of genuinely entangled subspaces and states: Exact, approximate, and numerical results
PublikacjaGenuinely entangled subspaces (GESs) are those subspaces of multipartite Hilbert spaces that consist only of genuinely multiparty entangled pure states. They are natural generalizations of the well-known notion of completely entangled subspaces, which by definition are void of fully product vectors. Entangled subspaces are an important tool of quantum information theory as they directly lead to constructions of entangled states,...
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Amplifying the Randomness of Weak Sources Correlated With Devices
PublikacjaThe problem of device-independent randomness amplification against no-signaling adversaries has so far been studied under the assumption that the weak source of randomness is uncorrelated with the (quantum) devices used in the amplification procedure. In this paper, we relax this assumption, and reconsider the original protocol of Colbeck and Renner using a Santha-Vazirani (SV) source. To do so, we introduce an SV-like condition...
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Mohammad Hossein Ghaemi dr inż.
OsobyMohammad Hossein Ghaemi (ur. 1967), adiunkt Wydziału Oceanotechniki i Okrętownictwa (WOiO) PG w Katedrze Automatyki i Energetyki. Jest absolwentem Uniwersytetu Teherańskiego z zakresu mechaniki ciała stałego, a także PG na kierunku Oceanotechnika. Uzyskał stopień doktora nauk technicznych na PG w 2004 roku. Od 1995 roku pracuje na WIMiO PG (do 2020 r. WOiO PG) i prowadzi zajęcia dydaktyczne i badania naukowe w zakresie automatyki...
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Production of singlet oxygen atoms by photodissociation of oxywater
PublikacjaQuantum chemical calculations are reported for the energies of the few lowest electronic singlet states of oxywater along dissociation of the oxygen-oxygen bond into water and singlet oxygen using multistate multireference second-order Møller–Plesset perturbation theory. We compute an energy of 21 kcal/mol to remove one oxygen atom in the lowest singlet state. The two lowest excited singlet states have vertical excitation energies...
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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
PublikacjaSelected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered...
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Optical Spectroscopic Studies of Tetrahydrofuran Fragmentation Induced by Collisions with Dihydrogen Cations
PublikacjaCollisions of dihydrogen cations with tetrahydrofuran molecules have been studied. Luminescence spectra and the emission functions of the excited products at projectile energies ranging from 8 to 1000 eV have been measured using collision-induced emission spectroscopy. The recorded spectra are dominated by the atomic lines of the hydrogen Balmer series, whose intensities decrease more quickly than derived by the quantum-theoretical...
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Contra Bellum: Bell's Theorem as a Confusion of Languages
PublikacjaBell's theorem is a conflict of mathematical predictions formulated within an infinite hierarchy of mathematical models. Inequalities formulated at level k ∈ Z are violated by probabilities at level k+1. We are inclined to think that k=0 corresponds to the classical world, while k=1 — to the quantum one. However, as the k=0 inequalities are violated by k=1 probabilities, the same relation holds between k=1 inequalities violated...
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Natalia Krystyna Gietka dr inż.
OsobyOd 2014 roku pracownik Wydziału Inżynierii Lądowej i Środowiska Politechniki Gdańskiej. Obecnie adiunkt w Katedrze Geotechniki i Inżynierii Wodnej, w której rozwija swoje zainteresowania naukowe związane z dziedziną hydrauliki, mechaniki płynów, meteorologii i hydrologii. Wraz z Centrum Nowoczesnej Edukacji dąży do wprowadzania innowacyjnych rozwiązań w nauczaniu np. poprzez prowadzenie zajęć w formie grywalizacji na kierunku Inżynieria...
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublikacjaIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Models of Structures in Didactics
PublikacjaThe final aim of teaching students subjects, such as structural mechanics, reinforced concrete, and steel structures is to teach them how structures work in a given building as well as to provide them with skills enabling them to calculate and design structures. The behavioral model of the structure, contrary to the architectural model, which focuses mainly on the external form of the building, shows workings from both the static...
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A concept for reducing PM 10 emissions for car brakes by 50%
PublikacjaWith regard to airborne particles with an aerodynamic diameter of less than 10 μm (PM10), in countries in the European Union, the mass of brake emissions equals approximately 8–27% of the total traffic-related emissions. Using a research methodology combining tests at different scale levels with contact mechanics simulations and PM10 chemical characterization, the REBRAKE EU-financed project had the following aims: i) to demonstrate...
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FURTHER REMARKS ON THE SURFACE VIS IMPRESSA CAUSED BY A FLUID-SOLID CONTACT
PublikacjaIt 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...
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Identification of the mechanical properties of the skin by electromechanical impedance analysis of resonant piezoelectric actuator
PublikacjaThis paper is devoted to the analysis and verification of developed piezoelectric sensor/actuator for measuring the mechanical properties of soft tissues, especially human skin. The key element of the measurement structure is an electromechanical system that uses both the reverse piezoelectric effect (vibration generation – stimulation of the tissues in the appropriate frequency range) and direct piezoelectric effect (system response...
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Gravity-related research (2020/21)
Kursy OnlineThe goal of the subject is to extend of the knowledge gained in the framework of general mechanics (statics, kinematics, dynamics). Students will be familiarized with the description of the kinematics and dynamics of motion in typical gravity-related research conditions (microgravity in parabolic flights, drop towers, sounding rockets) as well as gravity-related research platforms, its opportunities and limitations. Additionally,...
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Gravity-related research (Engineering and Management of Space Systems) 21/22
Kursy OnlineThe goal of the subject is to extend of the knowledge gained in the framework of general mechanics (statics, kinematics, dynamics). Students will be familiarized with the description of the kinematics and dynamics of motion in typical gravity-related research conditions (microgravity in parabolic flights, drop towers, sounding rockets) as well as gravity-related research platforms, its opportunities and limitations. Additionally,...
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Entanglement-redistribution boxes
PublikacjaWe establish a framework to study the classical-communication properties of primitive local operations assisted by classical communication which realize various redistributions of entanglement, like, e.g., entanglement swapping. On the one hand, we analyze what local operations and how much classical communication are needed to perform them. On the other hand, we investigate whether and to what extent such primitives can help to...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublikacjaFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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A Note on Fractional Curl Operator
PublikacjaIn this letter, we demonstrate that the fractional curl operator, widely used in electromagnetics since 1998, is essentially a rotation operation of components of the complex Riemann–Silberstein vector representing the electromagnetic field. It occurs that after the wave decomposition into circular polarisations, the standard duality rotation with the angle depending on the fractional order is applied to the left-handed basis vector...
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Magdalena Oziębło dr inż.
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The luminescence study of SrAl11.88−xGaxO19:0.12Cr3+ coumpounds.
Dane BadawczePortable near-infrared (NIR) light sources are in high demand for applications in spectroscopy, night vision, bioimaging, and many others. Typical phosphor designs feature isolated Cr3+ ion centers, and it is challenging to design broadband NIR phosphors based on Cr3+–Cr3+ pairs. Here, we explore the solid-solution series SrAl11.88–xGaxO19:0.12Cr3+...
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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
PublikacjaThe miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection...
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Elimination and migration of hydrogen in the vacuum-ultraviolet photodissociation of pyridine molecules
PublikacjaElimination of the excited hydrogen atoms H(n), n = 4–7, and hydrogen migration in formation of the excited NH(A 3Π) free radicals in the photodissociation of pyridine, C5H5N, molecules have been studied over the 17.5–70 eV photon energy range. In the measurements the photon-induced fluorescence spectroscopy technique has been applied. Both fragments are produced through excitation of pyridine molecules into higher-lying superexcited...
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Fluorescence of p-hydroxyazobenzocrowns – Tautomeric equilibrium effect
PublikacjaThe spectroscopic properties of a series of para-hydroxyazobenzocrowns, including three novel compounds, were investigated using UV–Vis absorption and emission spectroscopy. This study presents, for the first time, determined quantum yield (QY) values for macrocycles of this category, ranging between 0.122 and 0.195. The highest values were obtained for crowns bearing two phenyl substituents in benzene rings. The impact of aromatic...
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Entropy Production Associated with Aggregation into Granules in a Subdiffusive Environment
PublikacjaWe study the entropy production that is associated with the growing or shrinking of a small granule in, for instance, a colloidal suspension or in an aggregating polymer chain. A granule will fluctuate in size when the energy of binding is comparable to k_{B}T, which is the “quantum” of Brownian energy. Especially for polymers, the conformational energy landscape is often rough and has been commonly modeled as being self-similar...
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Kagome Lattice Promotes Chiral Spin Fluctuations
PublikacjaDynamical spin fluctuations in magnets can be endowed with a slight bent toward left- or right-handed chirality by Dzyaloshinskii-Moriya interactions. However, little is known about the crucial role of lattice geometry on these chiral spin fluctuations and on fluctuation-related transport anomalies driven by the quantum-mechanical (Berry) phase of conduction electrons. Via thermoelectric Nernst effect and electric Hall effect experiments,...
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On Accuracy Modeling of Gas Turbine Cycles by the In-house COM-GAS Code
PublikacjaIn this paper, a comparison of accuracy modeling of gas turbine cycles between the basic (classical) model and the in-house COM-GAS code has been presented. The basic model uses a semi-perfect gas and well known projecting assumption. On the other hand, the computational flow mechanics (CFM) basis on a real gas by using thermodynamic tables. The thermodynamic analysis of thermal cycles, simply gas cycle GT8C and gas turbine cycle...
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Sawing Processes as a Way of Determining Fracture Toughness and Shear Yield Stresses of Wood
PublikacjaA new computational model, based on fracture mechanics, was used to determine cutting forces. Unlike traditional computing methods, which depend on many coefficients reflecting the machining of solid wood, the new model uses two main parameters: fracture toughness and shear yield stresses. The aim of this study was to apply this new method to determine these parameters for the tooth cutting edge principal positions and longitudinal...
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Experimental and theoretical study on high-temperature creep of VT6 titanium alloy under multi-axial loading conditions
PublikacjaIn the framework of damage mechanics, we discuss a new mathematical model that describes the kinetics of the stress–strain state and damage accumulation during material degradation by the mechanism of long-term strength under complex multiaxial stress state. An experimental and theoretical technique is proposed for determination of material parameters and scalar constitutive functions for damaged media based on specially set experiments...
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Modelling of Abdominal Wall Under Uncertainty of Material Properties
PublikacjaThe paper concerns abdominal wall modelling. The accurate prediction and simulation of abdominal wall mechanics are important in the context of optimization of ventral hernia repair. The shell Finite Element model is considered, as the one which can be used in patient-specific approach due to relatively easy geometry generation. However, there are uncertainties in this issue, e.g. related to mechanical properties since the properties...
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Drop-coating deposition surface-enhanced Raman spectroscopy on silver substrates for biofluid analysis
PublikacjaUtilization of surface-enhanced Raman spectroscopy as a measurement technique is of particular interest in biodetection due to its superb chemical specificity and high sensitivity. The use of SERS substrates further improve this method by massive enhancement of the molecule Raman spectrum, permitting very low levels of detection. Therefore it is important to seek for new ways to develop reliable substrates, which are quickly and...
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A constitutive law for concrete with smooth transition from continuous into discontinuous cracks’ description
PublikacjaPaper presents a constitutive model for concrete that combines a continuous and discontinuous crack’s description to simulate the concrete under tensile dominated loads. In a continuum regime, two different constitutive laws were used. First, a plasticity model with the Rankine failure criterion and an associated flow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. Both model alternatives...
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2022-2023 - Wytrzymałość materiałów II, PG_00040052
Kursy OnlineOpanowanie wiedzy i umiejętności rozwiązywania złożonych zagadnień wytrzymałości prętów, powłok oraz płyt, mechaniki pękania i wytrzymałości zmęczeniowej, drgań prętów, oraz wybranych zastosowań metody elementów skończonych. The aim of the lectures is to deliver to the students the knowledge and abilities to solve the complex problems concerning the bars, shells, 3D structures, mechanics of cracking and fatique strength, vibrations...
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Anna Pestka dr inż.
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Positron-electron correlation-polarization potentials for the calculation of positron collisions with atoms and molecules
PublikacjaWe present correlation-polarization potentials for the calculation of scattering cross sections of positrons with atoms and molecules. The potentials are constructed from a short-range correlation term and a long-range polarization term. For the short-range correlation term we present four different potentials that are derived from multi-component density functionals. For the long-range polarization term we employ a multi-term...
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Conjectured strong complementary-correlations tradeoff
PublikacjaWe conjecture uncertainty relations that restrict correlations between the results of measurements performed by two separate parties on a shared quantum state. The first uncertainty relation bounds the sum of two mutual informations when one party measures a single observable and the other party measures one of two observables. The uncertainty relation does not follow from the Maassen-Uffink uncertainty relation and is much stronger...
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Topological, nonreciprocal, and multiresonant slow light beyond the time-bandwidth limit
PublikacjaTopologically protected transport has recently emerged as an effective means to address a recurring problem hampering the field of slow light for the past two decades: its keen sensitivity to disorders and structural imperfections. With it, there has been renewed interest in efforts to overcome the delay-time-bandwidth limitation usually characterizing slow-light devices, on occasion thought to be a fundamental limit. What exactly...
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A design framework and a digital toolset supporting the early-stage explorations of responsive kinetic building skin concepts
PublikacjaIn this paper we present the first phase of our research on the development of a framework for early-stage responsive kinetic building skin design. The aims of this study were: to formulate a methodological and instrumental basis for the construction of the framework, to conduct an initial pre-assessment of its features, and finally to provide the first example of how the framework could be applied in practice. Importantly, at...
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AN ALTERNATIVE WAY OF DETERMINING MECHANICAL PROPERTIES OF WOOD BY MEASURING CUTTING FORCES
PublikacjaThe cutting force is an energetic effect of splitting material, and might be therefore considered from a point of view of modern fracture mechanics. The dedicated mathematical model developed for description of the wood cutting has been developed here on the base of fracture theory, and includes work of separation (fracture toughness) in addition to the material plasticity and friction. The effect of the cutting edge dullness is...
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THE THERMODYNAMIC ANALYSIS OF THE SZEWALSKI HIERARCHIC VAPOUR CYCLE COOPERATED WITH THE SYSTEM OF HEAT RECOVERY
PublikacjaIn this paper, thermodynamic analysis of the Szewalski hierarchic vapour cycle cooperated with the system of heat recovery from exhaust gases are presented. According to that purpose, the CFM (Computation Flow Mechanics [1,3]) approach has correctly been used. The whole system consists of the first traditional steam cycle, the second organic Rankine cycle (ORC) and system of heat recovery with use of water with temperature 90...
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Fracture surface formation of notched 2017A-T4 aluminium alloy under bending fatigue
PublikacjaThe effect of cyclic loading on facture surface topology in notched components made by aluminium alloys is not completely clear. Fractogra-phy and fracture mechanics can help to understand this interdependency. This paper aims to study the distribution of the fracture surface roughness of notched 2017A-T4 aluminium alloy after bending fatigue using an optical focus-variation surface measurement technique by applying the fracture...
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Negative result about the construction of genuinely entangled subspaces from unextendible product bases
PublikacjaUnextendible product bases (UPBs) provide a versatile tool with various applications across different areas of quantum information theory. Their comprehensive characterization is thus of great importance and has been a subject of vital interest for over two decades now. An open question asks about the existence of UPBs, which are genuinely unextendible, i.e., they are not extendible even with biproduct vectors. In other words,...
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1,3-alternate calix[4]arene-bonded silica stationary phases. Effect of calixarene skeleton substituents on the retention mechanism and column selectivity
PublikacjaFour novel 1,3-alternate calix[4]arene-bonded silica gel stationary phases possessing different aromatic and aliphatic substituents at the upper rim (CalixNph, CalixBph, CalixHex and CalixDdc) were prepared and structurally characterized. The comparison and selectivity of these phases was done by using alkylbenzenes, fatty acid p-bromophenacyl esters, aromatic positional isomers and polynuclear aromatic hydrocarbons as analytes....
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Inseparability criteria based on matrices of moments
PublikacjaInseparability criteria for continuous and discrete bipartite quantum states based on moments of annihilationand creation operators are studied by developing the idea of Shchukin-Vogel criterion Phys. Rev. Lett. 95,230502 2005. If a state is separable, then the corresponding matrix of moments is separable too. Thus, wederive generalized criteria based on the separability properties of the matrix of moments. In particular, acriterion...
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A study of concentration depolarization and quenching of photoluminescence of solutions
PublikacjaThe concentration-dependence of emission anisotropy r/r0 and quantum yield eta/eta0 of the photoluminescence of glycerol-water solutions of rhodamine B in two systems of viscosities 7.4 P and 0.72 P is investigated. The experimental data are compared with the new theory of concentraticn depolarization (J. Lumin., 5, 413 (1972)) and concentration quenching of photoluminescence (Acta Phys. Hungar., 30, 145 (1972)), which takes...
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Stripe order and magnetic anisotropy in the S=1 antiferromagnet BaMoP2O8
PublikacjaMagnetic behavior of yavapaiite-type BaMoP2O8 with the spatially anisotropic triangular arrangement of the S=1Mo4+ ions is explored using thermodynamic measurements, neutron diffraction, and density-functional band-structure calculations. A broad maximum in the magnetic susceptibility around 46 K is followed by the stripe antiferromagnetic order with the propagation vector k=(12,12,12) formed below TN≃21 K. This stripe phase is...
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Low-energy positron scattering from DNA nucleobases: the effects from permanent dipoles
PublikacjaAb initio quantum calculations for low-energy positron scattering from gas-phase isolated molecular nucleobases which are part of the DNA structure are presented and discussed over the range of 1 eV to 25 eV. The calculations report the integral cross sections (ICSs) and the momentum-transfer cross sections (MTCSs) for Adenine, Guanine, Thymine and Cytosine. The calculations show very clearly the important role of the dominant...
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Do positrons measure atomic and molecular diameters?
PublikacjaWe report on density functional calculations (DFT) of elastic integral scattering cross-sections for positron collisions with argon, krypton, nitrogen and methane. The long-range asymptotic polarization potential is described using higher-order terms going much beyond an induced dipole potential (−α / r 4) while the short-range interaction is modeled by two different forms of electron – positron correlation potential (Boroński-Nieminen...