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Search results for: QUANTUM EFFICIENCY ROLL-OFF

  • THIRD-ORDER EXPONENTIAL INTEGRATOR FOR LINEAR KLEIN–GORDON EQUATIONS WITH TIME AND SPACE-DEPENDANT MASS

    Publication

    Allowing for space- and time-dependance of mass in Klein–Gordon equations re- solves the problem of negative probability density and of violation of Lorenz covariance of interaction in quantum mechanics. Moreover it extends their applicability to the domain of quantum cosmology, where the variation in mass may be accompanied by high oscillations....

  • Monitoring of the Process of System Information Broadcasting in Time

    One of the problems of quantum physics is how a measurement turns quantum, noncopyable data, towards copyable classical knowledge. We use the quantum state discrimination in a central system model to show how its evolution leads to the broadcasting of the information, and how orthogonalization and decoherence factors allow us to monitor the distance of the state in question to the one perfectly broadcasting information, in any...

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  • Swapping Space for Time: An Alternative to Time-Domain Interferometry

    Publication

    Young's double-slit experiment [1] requires two waves produced simultaneously at two different points in space. In quantum mechanics the waves correspond to a single quantum object, even as complex as a big molecule. An interference is present as long as one cannot tell for sure which slit is chosen by the object. The more we know about the path, the worse the interference. In the paper we show that quantum mechanics allows for...

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  • A general approach to study molecular fragmentation and energy redistribution after an ionizing event

    Publication
    • E. Erdmann
    • N. Aguirre
    • S. Indrajith
    • J. Chiarinelli
    • A. Domaracka
    • P. Rousseau
    • B. A. Huber
    • P. Bolognesi
    • R. Richter
    • L. Avaldi... and 3 others

    - PHYSICAL CHEMISTRY CHEMICAL PHYSICS - Year 2021

    We propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...

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  • Hidden Tensor Structures

    Publication

    - ENTROPY - Year 2024

    Any single system whose space of states is given by a separable Hilbert space is automatically equipped with infinitely many hidden tensor-like structures. This includes all quantum mechanical systems as well as classical field theories and classical signal analysis. Accordingly, systems as simple as a single one-dimensional harmonic oscillator, an infinite potential well, or a classical finite-amplitude signal of finite duration...

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  • PREDICTION OF SHIP MOTIONS IN IRREGULAR WAVES BASED ON RESPONSE AMPLITUDE OPERATORS EVALUATED EXPERIMENTALLY IN NOISE WAVES

    Publication

    The most common methods for predicting ship roll motions in a specified sea state are direct measurements of motions in a representative irregular wave realisation (time domain) or calculations of motions from response amplitude operators (RAOs) in the frequency domain. The result of the first method is valid only for the tested sea state, whilst the second method is more flexible but less accurate. RAO-based predictions are calculated...

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  • Characterizing the Performance of <span class="sc">xor</span> Games and the Shannon Capacity of Graphs

    Publication

    - PHYSICAL REVIEW LETTERS - Year 2014

    In this Letter we give a set of necessary and sufficient conditions such that quantum players of a two-party xor game cannot perform any better than classical players. With any such game, we associate a graph and examine its zero-error communication capacity. This allows us to specify a broad new class of graphs for which the Shannon capacity can be calculated. The conditions also enable the parametrization of new families of games...

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  • Konzetrationslöschung durch Energieübertragung bei der Lumineszenz von Lösungen

    Publication
    • C. Bojarski
    • J. Kuśba
    • G. Obermüller

    - Year 1971

    The absorption spectra and quantum yields of the fluorescence of rhodamine 6 G are investigated in two different water-glycerol mixtures as a function of the rhodamine concentration. The observed concentration quenching is attributed to the formation of rhodamine dimers and the decrease in quantum yield is compared with theoretical concepts about concentration quenching by energy transfer to the dimers.

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  • Increased Certification of Semi-device Independent Random Numbers using Many Inputs and More Postprocessing

    Publication
    • P. A. Mironowicz
    • A. Tavakoli
    • A. Hameedi
    • B. Marques
    • M. Pawłowski
    • M. Bourennane

    - NEW JOURNAL OF PHYSICS - Year 2016

    Quantum communication with systems of dimension larger than two provides advantages in information processing tasks. Examples include higher rates of key distribution and random number generation. The main disadvantage of using such multi-dimensional quantum systems is the increased complexity of the experimental setup. Here, we analyze a not-so-obvious problem: the relation between randomness certification and computational requirements...

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  • Vibrational Quenching of Optically Pumped Carbon Dimer Anions

    Publication
    • M. Nötzold
    • R. Wild
    • C. Lochmann
    • T. Rahim
    • S. P. Melath
    • K. Dulitz
    • B. P. Mant
    • J. Franz
    • F. A. Gianturco
    • R. Wester

    - PHYSICAL REVIEW LETTERS - Year 2023

    Careful control of quantum states is a gateway to research in many areas of science such as quantum information, quantum-controlled chemistry, and astrophysical processes. Precise optical control of molecular ions remains a challenge due to the scarcity of suitable level schemes, and direct laser cooling has not yet been achieved for either positive or negative molecular ions. Using a cryogenic wire trap, we show how the internal...

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  • On power stream in motor or drive system

    Publication

    In a motor or in a drive system the quantity of power increases in the direction opposite to the direction of power flow. Energy losses and energy efficiency of a motor or a drive system must be presented as functions of physical quantities independent of losses. Such quantities are speed and load. But the picture of power stream in a motor or in a drive system is presented in the literature in the form of traditional Sankey...

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  • Computational methods for calculation of binding free energy for ligand-receptor complexes

    Publication

    - Year 2011

    Accurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...

  • Entangled rendezvous: a possible application of Bell non-locality for mobile agents on networks

    Publication

    Rendezvous is an old problem of assuring that two or more parties, initially separated, not knowing the position of each other, and not allowed to communicate, are striving to meet without pre-agreement on the meeting point. This problem has been extensively studied in classical computer science and has vivid importance to modern and future applications. Quantum non-locality, like Bell inequality violation, has shown that in many...

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  • Bound on Bell inequalities by fraction of determinism and reverse triangle inequality

    Publication
    • P. Joshi
    • K. Horodecki
    • M. Horodecki
    • P. Horodecki
    • R. Horodecki
    • B. Li
    • S. Szarek
    • T. Szarek

    - PHYSICAL REVIEW A - Year 2015

    It is an established fact that entanglement is a resource. Sharing an entangled state leads to nonlocal correlations and to violations of Bell inequalities. Such nonlocal correlations illustrate the advantage of quantum resources over classical resources. In this paper, we quantitatively study Bell inequalities with 2 × n inputs. As found in Gisin et al. [Int. J. Quantum. Inform. 05, 525 (2007)], quantum mechanical correlations...

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  • Bell-Type Inequalities from the Perspective of Non-Newtonian Calculus

    Publication

    A class of quantum probabilities is reformulated in terms of non-Newtonian calculus and projective arithmetic. The model generalizes spin-1/2 singlet state probabilities discussed in Czachor (Acta Physica Polonica:139 70–83, 2021) to arbitrary spins s. For s → ∞ the formalism reduces to ordinary arithmetic and calculus. Accordingly, the limit “non-Newtonian to Newtonian” becomes analogous to the classical limit of a quantum theory

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  • Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study

    Publication
    • M. El-Hendawy
    • A. Kamel
    • M. Mahmoud
    • R. Boukherroub
    • J. Ryl
    • M. Amin

    - MOLECULES - Year 2021

    The present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...

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  • O strumieniu mocy w silniku lub w układzie napędowym

    Publication

    W silniku lub w układzie napędowym wielkość strumienia mocy rośnie w kierunku przeciwnym do kierunku przepływu mocy. Straty energetyczne i sprawność energetyczna silnika lub układu napędowego powinny być przedstawiane jako funkcje wielkości fizycznych niezależnych od strat. Takimi wielkościami są prędkość i obciążenie silnika. Jednakże obraz strumienia mocy w silniku lub w układzie napędowym jest przedstawiany w literaturze w formie...

  • Towards Resource Theory of Coherence in Distributed Scenarios

    Publication

    - Physical Review X - Year 2017

    The search for a simple description of fundamental physical processes is an important part of quantum theory. One example for such an abstraction can be found in the distance lab paradigm: if two separated parties are connected via a classical channel, it is notoriously difficult to characterize all possible operations these parties can perform. This class of operations is widely known as local operations and classical communication....

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  • Hybrid P3HT: PCBM/GaN nanowire/Si cascade heterojunction for photovoltaic application

    Publication

    - JOURNAL OF NANOPARTICLE RESEARCH - Year 2020

    Poly(3-hexylthiophene) (P3HT) and phenyl-C61-butyric acid methyl ester (PCBM) are commonly used for the fabrication of organic photovoltaics (OPV). Efficiency limitations of OPVs could be circumvented by incorporation of inorganic nanostructures into organic blends. Again, integration of organic solar cells with well-developed silicon photovoltaic technology is ultimately desirable. In present work, GaN nanowires with diameters...

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  • On thermal stability of topological qubit in Kitaev's 4D model

    Publication

    - OPEN SYSTEMS & INFORMATION DYNAMICS - Year 2010

    We analyse stability of the four-dimensional Kitaev model-a candidate for scalable quantum memory - in finite temperature within the weak coupling Markovian limit. It is shown that, below a critical temperature, certain topological qubit observables X and Z possess relaxation times exponentially long in the size of the system. Their construction involves polynomial in system size algorithm which uses as an input the results of...

  • Collective Uncertainty Entanglement Test

    Publication

    - PHYSICAL REVIEW LETTERS - Year 2011

    For a given pure state of a composite quantum system we analyze the product of its projections onto aset of locally orthogonal separable pure states. We derive a bound for this product analogous to theentropic uncertainty relations. For bipartite systems the bound is saturated for maximally entangled statesand it allows us to construct a family of entanglement measures, we shall call collectibility. As thesequantities are experimentally...

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  • Progress towards a unified approach to entanglement distribution

    Publication

    - PHYSICAL REVIEW A - Year 2015

    Entanglement distribution is key to the success of secure communication schemes based on quantum mechanics, and there is a strong need for an ultimate architecture able to overcome the limitations of recent proposals such as those based on entanglement percolation or quantum repeaters. In this work we provide a broad theoretical background for the development of such technologies. In particular, we investigate the question of whether...

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  • NO-BROADCASTING OF NON-SIGNALLING BOXES VIA OPERATIONS WHICH TRANSFORM LOCAL BOXES INTO LOCAL ONES

    Publication
    • P. Joshi
    • A. Grudka
    • K. Horodecki
    • M. Horodecki
    • P. Horodecki
    • R. Horodecki

    - QUANTUM INFORMATION & COMPUTATION - Year 2013

    We deal with families of probability distributions satisfying non-signalling condition, called non-signalling boxes and consider a class of operations that transform local boxes into local ones (the one that admit LHV model). We prove that any operation from this class cannot broadcast a bipartite non-local box with 2 binary inputs and outputs. We consider a function called anti-Robustness which can not decrease under these operations....

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  • Optoelectronic and non-linear optical properties of Lu-doped AgGaGe3Se8 crystallites

    Publication
    • I. Kityk
    • G. Myronchuk
    • M. Lelonek
    • P. Goring
    • L. Piskach
    • B. Vidrynsky
    • A. Ryzhuk
    • A. Fedorchuk
    • J. Jedryka

    - OPTICAL AND QUANTUM ELECTRONICS - Year 2020

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  • Lattice-commensurate skyrmion texture in a centrosymmetric breathing kagome magnet

    Publication
    • M. Hirschberger
    • B. G. Szigeti
    • M. Hemmida
    • M. M. Hirschmann
    • S. Esser
    • H. Ohsumi
    • Y. Tanaka
    • L. Spitz
    • S. Gao
    • K. Kolincio... and 8 others

    - npj Quantum Materials - Year 2024

    Skyrmion lattices (SkL) in centrosymmetric materials typically have a magnetic period on the nanometer-scale, so that the coupling between magnetic superstructures and the underlying crystal lattice cannot be neglected. We reveal the commensurate locking of a SkL to the atomic lattice in Gd3Ru4Al12 via high-resolution resonant elastic x-ray scattering (REXS). Weak easy-plane magnetic anisotropy, demonstrated here by a combination...

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  • The role of low-energy electrons in the charging process of LISA test masses

    Publication
    • S. Taioli
    • M. Dapor
    • F. Dimiccoli
    • M. Fabi
    • V. Ferroni
    • C. Grimani
    • M. Villani
    • W. J. Weber

    - CLASSICAL AND QUANTUM GRAVITY - Year 2023

    The estimate of the total electron yield is fundamental for our understanding of the test-mass charging associated with cosmic rays in the Laser Interferometer Space Antenna (LISA) Pathfinder mission and in the forthcoming gravitational wave observatory LISA. To unveil the role of low energy electrons in this process owing to galactic and solar energetic particle events, in this work we study the interaction of keV and sub-keV...

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  • Shrinking-shifting and amplifying-shifting device using transformation optics

    Publication

    - OPTICAL AND QUANTUM ELECTRONICS - Year 2022

    Based on transformation optics (TO), this paper uses geometric divisions and linear coordinate transformations to design “shrinking-shifting—and reshaping”, and “amplifying-shifting—and reshaping” devices. The proposed devices can reshape the sizes and locations of the wrapped-objects inside the core-region. The shrinking-shifting device shrinks the larger object into a smaller one and shifts it to different location, whereas the...

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  • Adsorption behavior and corrosion inhibitive characteristics of newly synthesized cyano-benzylidene xanthenes on copper/sodium hydroxide interface: Electrochemical, X-ray photoelectron spectroscopy and theoretical studies

    Publication
    • M. Khalifa
    • I. Azab El
    • A. Gobouri
    • G. Mersal
    • S. Alharthi
    • M. Saracoglu
    • F. Kandemirli
    • J. Ryl
    • M. Amin

    - JOURNAL OF COLLOID AND INTERFACE SCIENCE - Year 2020

    Elegant process for synthesis of 3-(7H-dibenzo[c,h]xanthen-7-yl)benzaldehyde (3), as new starting material to create a set of novel xanthene analogues, 2-(3-(7H-dibenzo[c,h]xanthen-7-yl)benzylidene)malononitrile (4), 3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylic acid (5), and Ethyl-3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylate (6), was achieved starting with available materials under mild conditions. Various...

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  • Refined theoretical study of radiative association: Cross sections and rate constants for the formation of SiN

    Publication
    • M. Gustafsson
    • S. Antipov
    • J. Franz
    • G. Nyman

    - JOURNAL OF CHEMICAL PHYSICS - Year 2012

    Radiative association of silicon mononitride (SiN) in its two lowest molecular electronic states is studied through quantum and classical dynamics. Special attention is paid to the behavior of the cross section at high collision energies. A modified expression for the semiclassical cross section is presented which excludes transitions to continuum states. This gives improved agreement with quantum mechanical perturbation theory...

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  • Teleportation of geometric structures in 3D

    The simplest quantum teleportation algorithms can be represented in geometric terms in spaces of dimensions 3 (for real state vectors) and 4 (for complex state vectors). The geometric representation is based on geometric-algebra coding, a geometric alternative to the tensor-product coding typical of quantum mechanics. We discuss all the elementary ingredients of the geometric version of the algorithm: geometric analogs of states...

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  • Linear game non-contextuality and Bell inequalities—a graph-theoretic approach

    Publication

    - NEW JOURNAL OF PHYSICS - Year 2016

    We study the classical and quantum values of a class of one-and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR(XOR-d) games we study are a subclass of the well-known linear games. We introduce a 'constraint graph' associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the...

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  • Robust amplification of Santha-Vazirani sources with three devices

    Publication

    - PHYSICAL REVIEW A - Year 2015

    We demonstrate that amplification of arbitrarily weak randomness is possible using quantum resources. We present a randomness amplification protocol that involves Bell experiments. We find a Bell inequality which can amplify arbitrarily weak randomness and give a detailed analysis of the protocol involving it. Our analysis includes finding a sufficient violation of Bell inequality as a function of the initial quality of randomness....

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  • Analysis of the process of water entry of an amphibious vehicle

    Publication

    The paper presents a method of computational and experimental analysis of the process of water entry of an amphibious vehicle. The computational method is based on the Reynolds Averaged Navier-Stokes Equations (RANSE) solver and the xperiment was carried out in the towing tank at Ship Design and Research Centre S.A. with the use of a scale model. The analysis was focused on the safety of water entry, i.e. the maximum pitch and...

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  • An extension to the FEEDB Multimodal Database of Facial Expressions and Emotions

    Publication
    • M. Szwoch
    • L. Marco-gimenez
    • M. Arevalillo-herráez
    • A. Ayesh

    - Year 2015

    FEEDB is a multimodal database that contains recordings of people expressing different emotions, captured by using a Microsoft Kinect sensor. Data were originally provided in the device’s proprietary format (XED), requiring both the Microsoft Kinect Studio application and a Kinect sensor attached to the system to use the files. In this paper, we present an extension of the database. For a selection of recordings, we also provide...

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  • PHOTON LUMINESCENCE STUDIES OF TETRAHYDROFURAN FOLLOWING TRIHYDROGEN CATIONS IMPACT IN THE 20–1000 EV ENERGY RANGE

    Publication

    Photon emission arising during tetrahydrofuran (C4H8O, THF) fragmentation initiated by H3 + ion impact has been studied experimentally. Luminescence fragmentation spectra and the relative emission cross-sections of the excited fragments have been measured using collision-induced emission spectroscopy in the 20–1000 eV energy range. The main features in the spectra are the H Balmer series lines, whose intensities decrease with increasing...

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  • Electromodulation of monomer and excimer phosphorescence in vacuum-evaporated films of platinum (II) complexes of 1,3-di(2-pyridyl)benzenes

    Publication

    - ORGANIC ELECTRONICS - Year 2013

    Electric field-modulated photoluminescence (EML) measurements are presented for vacuum-evaporated films of cyclometallated Pt (II) complexes of 1,3-di(2-pyridyl) benzenes used as triplet emitters in organic light-emitting diodes (OLEDs). The excimer phosphorescence is quenched by the external electric field of 2.5 MV/cm up to 25% but the same effect on monomer phosphorescence is one order of magnitude smaller. The higher quenching...

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  • Photophysical processes in the selected white organic light-emitting diodes

    Publication

    - Year 2017

    The first part discusses history of organic emitters, the scope of the work, phenomena in molecular systems, types of architectures in OLEDs, types of OLEDs emitting white light with examples from the literaturę and a description of the parameters chcracterizing LEDs. The second part describes materials, production of the samples, the measurement systems and results. In chapter 8.1 the results for the OLEDs based on emission from...

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  • Sudden death of effective entanglement

    Publication

    - PHYSICAL REVIEW A - Year 2010

    Sudden death of entanglement is a well-known effect resulting from the finite volume of separable states. We study the case when the observer has a limited measurement capability and analyze the effective entanglement (i.e., entanglement minimized over the output data). We show that in the well-defined system of two quantum dots monitored by single-electron transistors, one may observe a sudden death of effective entanglement when...

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  • Gdansk Bay sea bed sounding and classification of its results

    Publication

    The main goal of this paper is to describe the results of sounding the Gdansk Bay sea bed by using a SES-2000 Standard parametric sub-bottom profiler. Quality of data obtained during trials depends inter alia on a proper location of transducer array to reduce influence of pitch, roll and heave motions as well as ship self noise (resulting from bubbles due to propeller and flow around hull, vibration generated by main engine and...

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  • A Comprehensive Experimental and Theoretical Study on the[{(η5-C5H5)2Zr[P(µ-PNEt2)2P(NEt2)2P]}2O Crystalline System

    Publication

    - MOLECULES - Year 2021

    The structure of tetraphosphetane zirconium complex C52H100N8OP10Zr21 was determined by single crystal X-ray diffraction analysis. The crystal belongs to the monoclinic system, space group P21/c, with a = 19.6452(14), b = 17.8701(12), c = 20.7963(14)Å, α = γ = 90°, β = 112.953(7)°, V = 6722.7(8)Å3, Z = 4. The electronic structure of the organometallic complex has been characterized within the framework of Quantum Chemical Topology....

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  • Reexamination of the decoherence of spin registers

    Publication

    - PHYSICAL REVIEW A - Year 2019

    We revisit the decoherence process of a multiqubit register interacting with a thermal bosonic bath. We generalize the previous studies by considering not only the register’s behavior but also a part of its environment. In particular, we are interested in information flow from the register to the environment, which we describe using recently introduced multipartite quantum state structures called spectrum broadcast structures....

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  • Dirac fermions and possible weak antilocalization in LaCuSb2

    Publication
    • J. Chamorro
    • A. Topp
    • Y. Fang
    • M. J. Winiarski
    • C. R. Ast
    • M. Krivenkov
    • A. Varykhalov
    • B. J. Ramshaw
    • L. Schoop
    • T. McQueen

    - APL Materials - Year 2019

    Layered heavy-metal square-lattice compounds have recently emerged as potential Dirac fermion materials due to bonding within those sublattices. We report quantum transport and spectroscopic data on the layered Sb square-lattice material LaCuSb2. Linearly dispersing band crossings, necessary to generate Dirac fermions, are experimentally observed in the electronic band structure observed using angle-resolved photoemission spectroscopy,...

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  • The importance of anchoring ligands of binuclear sensitizers on electron transfer processes and photovoltaic action in dye-sensitized solar cells

    Publication

    - Scientific Reports - Year 2023

    The relatively low photon-to-current conversion efficiency of dye-sensitized solar cells is their major drawback limiting widespread application. Light harvesting, followed by a series of electron transfer processes, is the critical step in photocurrent generation. An in-depth understanding and fine optimization of those processes are crucial to enhance cell performance. In this work, we synthesize two new bi-ruthenium sensitizers...

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  • Band Gap Engineering toward Semimetallic Character of Quinone-Rich Polydopamine

    Publication

    Semiconductor|melanin interfaces have received increasingly more attention in the fields of photocatalysis and applied electrochemistry because of their facile synthesis, unique electrical properties, and strong capability toward photosensitization. In this work, we describe the electropolymerization of quinone-rich polydopamine (PDA) on the surface of hydrogenated TiO2 nanotubes with enhanced photoactivity in the visible spectrum....

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  • Elucidating photoluminescent properties of Eu‐doped Ca–Al–Si–O(–N) glasses and the local structures of Eu ions

    Publication

    - JOURNAL OF THE AMERICAN CERAMIC SOCIETY - Year 2024

    Europium (Eu) ion–doped luminescent materials have attracted considerable attention for their numerous optical applications. Eu-doped Ca–Al–Si–O(–N) glasses were synthesized from a mixture of oxynitride glasses and Eu2O3 powder using a standard melt-quenching technique in a radiofrequency furnace. The source Eu trivalent ions primarily changed to Eu2+ during melting, and the ratio of Eu2+ ions increased with an increase in Eu content...

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  • Dynamic modeling of non-cylindrical curved viscoelastic single-walled carbon nanotubes based on the second gradient theory

    Publication

    - Materials Research Express - Year 2019

    This paper is devoted to the theoretical study of the dynamic response of non-cylindrical curved viscoelastic single-walled carbon nanotubes (SWCNTs). The curved nanotubes are largely used in many engineering applications, but it is challenging in understanding mechanically the dynamic response of these curved SWCNTs when considering the influences of the material viscosity. The viscoelastic damping effect on the dynamic response...

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  • TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field

    Publication
    • J. Dziedzic
    • Y. Mao
    • Y. Shao
    • J. Ponder
    • T. Head-Gordon
    • M. Head-Gordon
    • C. Skylaris

    - JOURNAL OF CHEMICAL PHYSICS - Year 2016

    We present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...

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  • Acoustic imaging of selected areas of Gdansk Bay with the aid of parametric echosounder and side-scan sonar

    The article presents and analyses the data recorded during sounding of the Gdansk Bay seabed with the aid of a parametric echosounder and a side-scan sonar. The accuracy of seabed structure examination, as a condition for obtaining valuable results, requires correct configuration of echolocation devices and proper calibration of peripheral devices, such as the survey unit geographical position sensor – GPS, the navigation unit,...

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  • Jumping Wave Characteristic during Low Plasticity Burnishing Process

    Publication

    During the low plasticity burnishing process of soft materials such as carbon steel with a hardness of up to 40 HRC (Rockwell grade) a raised structure of the material known as the Jumping Wave forms in front of the tool roll. This phenomenon significantly disturbs the burnishing process, but is very poorly described in the literature. This article presents studies of this phenomenon on the example of burnished 1.0562 steel. The...

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  • Mono- and bimetallic (Pt/Cu) titanium(IV) oxide core–shell photocatalysts with UV/Vis light activity and magnetic separability

    Publication

    - CATALYSIS TODAY - Year 2021

    Titanium(IV) oxide is one of the most widely investigated photocatalysts. However, separation of nano-sized particulate titania might result in profitless technologies for commercial applications. Additionally, bare titania is almost inactive under the Vis range of solar spectrum due to its wide bandgap. Therefore, the present study aims to prepare novel coreinterlayer- shell TiO2 magnetic photocatalysts modified with metal nanoparticles...

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