Search
Search results for: ORDERING
-
Successive orbital ordering transitions in NaVO2
PublicationPomiary właściwości fizycznych NaVO2, który charakteryzuje się trójkątną siecią krystalograficzną, pokazują dwa przejścia typu orbitalnego. W temperaturze 98 K w systemie wystepuje przejście drugiego rodzaju. Natomiast poniżej 93 K obserwowane jest przejście pierwszego rodzaju.
-
Successive Orbital Ordering Transitions inNaVO2
Publication -
In-depth characterization of icosahedral ordering in liquid copper
PublicationThe presence of icosahedral ordering in liquid copper at temperatures close to the melting point is now well-established both experimentally and through computer simulation. However, a more elaborate analysis of local icosahedral and icosahedron-like structures, together with a system for classifying such structures based on some measure of "icosahedrity", has so far been conspicuously absent in the literature. Similarly, the dynamics...
-
Tracking of the Multimodal Ordering Process in FePd Alloy
Publication -
Internal friction in FePd alloy during ordering
PublicationStwierdzono występowanie wysokiego poziomu tarcia wewnętrznego w zahartowanym stopie FePd (50% at. Pd). Zbadano proces uporządkowania atomowego w korelacji ze zmianami tarcia wewnętrznego defektu modułu i relaksacji magnetycznej stopu porządkującego się podczas nagrzewania do 900 K. Zaobserwowano efekt prędkości nagrzewania na punkt Curie.
-
Two-particle entropy and structural ordering in liquid water
PublicationEntropies of simple point charge (SPC) water were calculated over the temperature range 278-363 K using the two-particle correlation function approximation. Then, the total two-particle contribution to the entropy of the system was divided into three parts, which we call translational, configurational, and orientational. The configurational term describes the contribution to entropy, which originates from spatial distribution of...
-
Nanometer structural columns and frustration of magnetic ordering inNb12O29
Publication -
Nanometer structural columns and frustration of magnetic ordering in Nb12O29
PublicationDyskutowana jest synteza i właściwości magnetyczne tlenku niobu Nb12O29. Polimorfizm Nb12O29 przejawia się występowaniem dwóch faz: jednoskośnej i ortorombowej. Pomiar podatności magnetycznej pokazuje, że faza jednoskośna wykazuje antyferromagnetyczne przejście ok. 12K.
-
The impact of various azole antifungals on the liquid crystalline ordering in itraconazole
Publication -
Structural ordering of laser-processed FePdCu thin alloy films
Publication -
Internal friction in pure Co and CoPt alloy during ordering
PublicationZbadano tarcie wewnętrzne, wskaźnik modułu sprężystości postaciowej i podatność magnetyczną stopu CoPt (50% at. Pt) w stanie nieuporządkowanym, uzyskanym w wyniku oziębienia, podczas wyżarzania do 850 K przy wzrostach temperatury 6K/min. i 2K/min., stosując odwróconą skręcarkę wahadłową. Zaobserwowano maksimum tarcia wewnętrznego w CoPt przy 700 K oraz w monokrysztale kobaltu w 720 K w pobliżu martenzytycznej przemiany fazowej,...
-
Local ordering of nano-structured Pt probed by multiple-scattering XAFS
PublicationW pracy przedstawiono wyniki analizy MS EXAFS krystalicznej platyny i nanostruktur platyny (klastry o rozmiarach od 1nm do 7nm). Rezultaty analizy masowej platyny (uwzględniające rozkłady dwu i trój-ciałowe) są zgodne z wcześniejszymi danymi strukturalnymi i wibracyjnymi i stały się podstawą do realistycznej analizy EXAFS nanocząstek Pt realizownej w połączeniu z wynikami pomiarów TEM, SEM i XRD. Badaniom poddano nanocząstki Pt...
-
Local Ordering Changes in Pt-Co Nanocatalyst Induced by Fuel Cell Working Conditions
PublicationPraca poświęcona jest szczegółowej analizie zmian w lokalnej strukturze atomowej i elektronowej nanocząstek Pt-Co pracujących jako katalizatory w polimerowych ogniwach paliwowych wywołanych cyklicznie zmieniającymi się warunkami pracy ogniwa. Do analizy wykorzystano badania XAS realizowane ex-situ i in-situ, XRD i TEM. Analizując widma XAFS wzięto pod uwagę możliwy wpływ nieporządku chemicznego oraz redukcję liczb koordynacyjnych...
-
Inert gas condensation made bimetallic FeCu nanoparticles - plasmonic response and magnetic ordering
Publication -
Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublicationThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
-
Controlling of Structural Ordering and Rigidity of β-SiAlON:Eu through Chemical Cosubstitution to Approach Narrow-Band-Emission for Light-Emitting Diodes Application
Publication -
Fe3–xInSnxO6 (x = 0, 0.25, or 0.5): A Family of Corundum Derivatives with Sn-Induced Polarization and Above Room Temperature Antiferromagnetic Ordering
PublicationThree new double corundum derivative compounds, Fe3−xInSnxO6 (x = 0. 0.25, or 0.5), were synthesized at high pressure and temperature (6 GPa and 1400− 1450 °C). All of the compounds order antiferromagnetically well above room temperature (TN = 608, 532, and 432 K for x = 0, 0.25, and 0.5, respectively). The x = 0 phase crystallizes as centrosymmetric R3̅c, but the inclusion of closed-shell d10 Sn4+ induces x = 0.25 and 0.5 to crystallize...
-
Charge orderings and lattice distortions in complex TCNQ salts
Publication -
The influence of electron-electron and electron-phonon interactions on electron charge orderings in quasi-one-dimensional systems
Publication -
The number of financial transactions made from the level of the mobile application in 2017
Open Research DataTaking into account the number of transactions made, the increase is almost 100% when using the mobile application. In 2017, 44 million people were recorded financial transactions made via the application, i.e. opening a deposit or ordering a transfer. It should therefore be noted that there is a growing interest in ordering certain transactions via...
-
Katarzyna Merkel dr hab.
PeopleOver the past 15 years, my work has mainly been related to the study of liquid crystal compounds with a diverse structure (discotic, dendrimeric, banana, bimedogenic, uniaxial and biaxial nematics and smectics) as well as polymeric materials (biopolymers, nano-composites) and biological materials. My work concerned mainly the issues of organization, observation of orientation effects, studying the dynamics of molecular processes...
-
A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
-
Ferro- and antiferro-magnetism in (Np, Pu)BC
PublicationTwo new transuranium metal boron carbides, NpBC and PuBC, have been synthesized. Rietveld refinements of powder XRD patterns of {Np,Pu} BC confirmed in both cases isotypism with the structure type of UBC. Temperature dependent magnetic susceptibility data reveal antiferromagnetic ordering for PuBC below T-N = 44 K, whereas ferromagnetic ordering was found for NpBC below T-C = 61 K. Heat capacity measurements prove the bulk character...
-
Michał Bernard Pietrzak dr hab.
PeopleMichal Pietrzak is head of the Department of Statistics and Econometrics at the Faculty of Economics and Management, Gdańsk University of Technology, and Deputy Editor-in-Chief for Statistical Reviewing of the journals: Oeconomia Copernicana and Equilibrium. Quarterly Journal of Economics and Economic Policy. Until October 2021, he worked as an associate professor at the Faculty of Economic Sciences and Management, Nicolaus...
-
Structural properties of hydration shell around various conformations of simple polypeptides
PublicationIn this paper we investigate structural properties of water within the solvation shell around the peptide core created by a well-defined conformation of polypeptide chain. The following secondary structures are investigated: linear (straight chain), and three helices PII (polyproline-like), 310, and α. We propose using the two-particle contribution to entropy as a rational measure of the water structural ordering within the solvation...
-
The accretion of the new ice layer on the surface of hexagonal ice crystal and the influence of the local electric field on this process
PublicationThe process of creation of a new layer of ice on the basal plane and on the prism plane of a hexagonal ice crystal is analyzed. It is demonstrated that the ordering of water molecules in the already existing crystal affects the freezing. On the basal plane, when the orientations of water molecules in the ice block are random, the arrangement of the new layer in a cubic manner is observed more frequently — approximately 1.7 times...
-
Magnetic properties of α-KCoPO4 compound with a chiral polar crystal structure
PublicationWe have obtained polycrystalline samples of a metastable α variant of KCoPO4 by low temperature (350–400 °C) solid state metathesis reaction of potassium oxalate and ammonium cobalt orthophosphate. The material crystallizes in a polar chiral structure (sg. P63, no. 173). Measurements of magnetic properties reveal antiferromagnetic interactions and no ordering observed down to T = 1.9 K, well below the Weiss temperature |Θcw| =...
-
Structure and water uptake in BaLnCo2O6−δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy)
PublicationThe structure of BaLnCo2O6-δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy) was studied by the means of synchrotron radiation powder X-ray diffraction, neutron powder diffraction and Transmission Electron Microscopy (TEM), while water uptake properties were analysed with the use of thermogravimetry (TG) and water adsorption isotherms. The structure refinement revealed that the dominant phase in all compositions was orthorhombic with an ordering...
-
Antiferromagnetic Order in the Rare-Earth Halide Perovskites CsEuBr3 and CsEuCl3
PublicationBulk CsEuBr3 and CsEuCl3 are experimentally shown to be magnetic semiconductors that order antiferromagnetically at Néel temperatures of 2.0 K and 1.0 K, respectively. Given that nanoparticles and thin films of CsEuCl3 have been reported to order ferromagnetically at a similar temperature, our observation of antiferromagnetic ordering in CsEuBr3 and CsEuCl3 expands the possible applications of halide perovskites to now include...
-
237Np Mössbauer effect study on NpFeAsO
PublicationWe report 237Np Mössbauer measurements on NpFeAsO. The Np atoms were found to occupy only one crystallographic site. The value of the isomer shift (δ ∼ 9.1 mm s−1 versus NpAl2) indicates a 5f4 electronic configuration (Np3+ ions). The magnetic ordering of the Np sublattice below 60 K is established and the saturated ordered magnetic moment is determined to be 1.73μB at 3.6 K. The unique set of hyperfine parameters exclude a modulated...
-
Formation of the hollow nanopillar arrays through the laser-induced transformation of TiO2 nanotubes
PublicationIn the following article, we present a simple, two-step method of creating spaced, hollow nanopillars, from the titania nanotube arrays via pulsed laser-treatment. Due to the high ordering of the structure, the prepared material exhibits photonic properties, which has been shown to increase the overall photoefficiency. The optical and morphological changes in the titania nanotubes after pulsed laser-treatment with 532, 355, and...
-
Bounds on the Cover Time of Parallel Rotor Walks
PublicationThe rotor-router mechanism was introduced as a deterministic alternative to the random walk in undirected graphs. In this model, a set of k identical walkers is deployed in parallel, starting from a chosen subset of nodes, and moving around the graph in synchronous steps. During the process, each node maintains a cyclic ordering of its outgoing arcs, and successively propagates walkers which visit it along its outgoing arcs in...
-
Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
-
New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublicationIn this work, we present our discovery and characterization of a new kagome prototype structure, KV3Sb5. We also present the discovery of the isostructural compounds RbV3Sb5 and CsV3Sb5. All materials exhibit a structurally perfect two-dimensional kagome net of vanadium. Density-functional theory calculations indicate that the materials are metallic, with the Fermi level in close proximity to several Dirac points. Powder and single-crystal...
-
Effective Decision-Making in Supply Chain Management
PublicationProper decision-making in Supply Chain Management (SCM) is crucial for an appropriately functioning mechanisms. The paper presents how IT technologies can impact on an organization and process realization. Especially Service Oriented Architecture (SOA) standard and the Cloud Computing (CC) paradigms are taken into account. A general model of decision-making is proposed and based on a specific practical example is analyzed using...
-
Revealing the Frank–Evans “Iceberg” Structures within the Solvation Layer around Hydrophobic Solutes
PublicationUsing computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250−298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered...
-
Molecular dynamics study on the role of solvation water in the adsorption of hyperactive AFP to the ice surface
PublicationUsing computer simulations, the early stages of the adsorption of the CfAFP molecule to the ice surface were analyzed. We found that the ice and the protein interact at least as early as when the protein is about 1 nm away from the ice surface. These interactions are mediated by interfacial solvation water and are possible thanks to the structural ordering of the solvent. This ordering leads to positional preference of the protein...
-
The rigid and flexible road pavements in terms of life cycle costs
PublicationThe cost of road pavement construction, its durability and reliability depends on many factors, including: the scope and detail of the technical design, quality of work but also the scope of works related to its maintenance, conservation and operation. Determining the amount of rational expenses, in terms of the life cycle cost of the pavement, requires determination and consideration of the above issues, already at the planning...
-
Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublicationSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
-
Synthetic Principles Determining Local Organization of Copolyesters Prepared from Lactones and Macrolactones
PublicationA highly effective and facile technique for catalytic ring-opening copolymerization (cROP) of lactones viz. ε- caprolactone and ε-decalactone with ω-pentadecalactone is being described. The reactions were mediated by Zn- and Cabased tridentate Schiff base complexes and benzyl alcohol as initiator. The catalysts were successfully employed for the preparation of numerous block and random copolymers. To unravel the composition of...
-
Membrane Sterols Modulate the Binding Mode of Amphotericin B without Affecting Its Affinity for a Lipid Bilayer
PublicationMembrane-active antibiotics are known to selectively target certain pathogens based on cell membrane properties, such as fluidity, lipid ordering, and phase behavior. These are in turn modulated by the composition of a lipid bilayer and in particular by the presence and type of membrane sterols. Amphotericin B (AmB), the golden standard of antifungal treatment, exhibits higher activity toward ergosterol-rich fungal membranes, which...
-
Propagation of acoustic pulses in some fluids with yield stress
PublicationThis study is devoted to the derivation of approximate equations governing acoustic pulses in flows with yieldstress, including some time-dependent flows with a slow dependence on time of yield stress and apparent viscosity. Themodeling of yield stress and apparent viscosity in the vicinity of a zero deformation rate allows us to consider a thixotropicfluid as a Bingham plastic with coefficients that are dependent on time. The...
-
Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublicationThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
-
Bounds on the cover time of parallel rotor walks
PublicationThe rotor-router mechanism was introduced as a deterministic alternative to the random walk in undirected graphs. In this model, a set of k identical walkers is deployed in parallel, starting from a chosen subset of nodes, and moving around the graph in synchronous steps. During the process, each node successively propagates walkers visiting it along its outgoing arcs in round-robin fashion, according to a fixed ordering. We consider...
-
Structural and electrical properties of titanium-doped yttrium niobate
PublicationIn this work, the influence of the substitution of niobium by titanium in Y3Nb1-xTixO7-δ on the structural and electrical properties is reported. Several experimental techniques, i.e. X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM), X-Ray Photoelectron Spectroscopy (XPS) and Electrochemical Impedance Spectroscopy (EIS), were applied to investigate the system Y3Nb1-xTixO7-δ. Titanium in Y3Nb1-xTixO7-δ is an acceptor-type...
-
Charge density wave and large nonsaturating magnetoresistance in YNiC2 and LuNiC2
PublicationWe report a study of physical properties of two quasi-low-dimensional metals YNiC2 and LuNiC2 including the investigation of transport, magnetotransport, galvanomagnetic, and specific heat properties. In YNiC2 we reveal two subsequent transitions associated with the formation of weakly coupled charge density wave at TCDW=318K and its locking in with the lattice at T1=275K. These characteristic temperatures follow the previously...
-
Process arrival pattern aware algorithms for acceleration of scatter and gather operations
PublicationImbalanced process arrival patterns (PAPs) are ubiquitous in many parallel and distributed systems, especially in HPC ones. The collective operations, e.g. in MPI, are designed for equal process arrival times (PATs), and are not optimized for deviations in their appearance. We propose eight new PAP-aware algorithms for the scatter and gather operations. They are binomial or linear tree adaptations introducing additional process...
-
Towards Synthetic and Balanced Digital Government Benchmarking
PublicationReliable benchmarking is essential for effective management of the government digitalization efforts. Existing benchmarking instruments generally fail to support this target. One problem is the diversity of instruments, resulting in a split image of digital progress and adding ambiguity to policy decisions. Another problem is disconnect in assessing progress between digital and traditional “analog” governance, lending support to...
-
Large Hall and Nernst responses from thermally induced spin chirality in a spin-trimer ferromagnet
PublicationThe long-range order of noncoplanar magnetic textures with scalar spin chirality (SSC) can couple to conduction electrons to produce an additional (termed geometrical or topological) Hall effect. One such example is the Hall effect in the skyrmion lattice state with quantized SSC. An alternative route to attain a finite SSC is via the spin canting caused by thermal fluctuations in the vicinity of the ferromagnetic ordering transition....
-
Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublicationThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...