Wyniki wyszukiwania dla: ENERGY CLUSTERS
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Collaborative development model and strategies of multi-energy industry clusters: Multi-indicators analysis affecting the development of coastal energy clusters
PublikacjaThe paper explores Coastal Energy-Based Industrial Clusters (EBICs) and their role in advancing energy efficiency and sustainability through collaborative innovation. Economic growth theory and energy sustainability have been introduced into industrial clusters to illustrate indicators that have a greater impact on the development of EBICs. This paper proposes an EBICs development model based on the Cobb-Douglas function, in which...
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The role of clusters as collective actors in the energy transformation: the case of Mazovia Cluster ICT
PublikacjaPurpose – In our paper we aim to show the possibilities of implementing the idea of sustainability in the context of energy transformation using the concept of an industrial cluster. The implementation of the idea of sustainability is of particular importance from the perspective of the functioning of the meta-organisations involved in the implementation and promotion of decarbonisation processes. Industrial clusters, as collective...
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublikacjaHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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Configurations of H 3 + (H2)n clusters and their energies
PublikacjaThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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Study of Icosahedral Clusters in Close-packed Simple Liquids
PublikacjaThe local structure of liquid copper was determined using Steinhardt order parameters, with particular attention paid to icosahedral clusters. The positions of atoms were obtained from three sets of molecular dynamics simulations, with the forces obtained from: the Sutton-Chen (SC) potential, the Naval Research Laboratory total energy tight-binding (NRL-TB) method and the divide-and-conquer learn-on-the-fly (DCLOTF) method, respectively....
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Challenges of branding and marketing of clusters
PublikacjaClusters have proved to be powerful engine s of economic development in the European Union. Clusters and their stakehol ders can derive many benefits fr om a strong cluster brand. However, they face numerous branding and marketing challenges. Specifics of clusters, such as multiple stakeholders, make it difficult to forge a strong brand identity. This paper addresses the need to develop a cluster specific approach to branding and...
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Do clusters help companies to "go green"? Experience of Polish National Key Clusters
PublikacjaThis study aims to explore cluster activity in the field of green transformation, taking into account the green, low-carbon and circular economy. Our intention was to identify the main green practices used by cluster organizations, which we showed through the lens of the attributes of both the cluster and the cluster organization. Through our study, we sought to answer the question: what is the role of cluster organizations in...
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Theory of industrial clusters
PublikacjaW niniejszym rozdziale zostały przedstawione podstawy teoretyczne klastrów, a w szczególności stosowane definicje i klasyfikacje gron oraz determinanty ich rozwoju. Autorka wyjaśnia również zjawisko powstawania klastrów i przedstawia korzyści płynące ze współpracy w gronie. Obszerną część artykułu stanowi przegląd metod stosowanych w badaniach struktur klastrowych. Autorka zamieściła również charakterystyki wybranych regionów opartych...
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Dissociation pathways of protonated water clusters
PublikacjaRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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The implementation of green transformation through clusters
PublikacjaThe paper addresses a poorly documented issue in the literature, namely the role of clusters in green transformation, including processes related to green, low-carbon, and circular economies. The purpose was to identify and understand the practices of clusters in this area. The adopted mixed research strategy consisted of both qualitative and quantitative research. Both research phases were conducted in a group of Polish Key National...
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Dissociation energies of protonated water clusters
PublikacjaRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Barriers to inter-company cooperation in clusters
PublikacjaClusters have proved to be an important source of competitiveness for the economic development of regions within the European Union. One of the main goals of cluster development is to stimulate cooperation between companies in one or a few related sectors. The stakeholders of a cluster, as well as the local economy, can derive many benefits from such cooperation. However, there are numerous barriers, which make it difficult for...
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Proton transfer reactions for ionized water clusters
PublikacjaCalculations of formation energies of the ionized water clusters and energies of reactions between small (including less than eight water molecules) neutral and positively ionized water clusters are presented. Moreover, we discuss some reaction paths between neutral and positively charged dimers, trimers and tetramers and proton transfer reactions (PTR) between cyclic clusters and H3O+ ions which can appear in beam experiments...
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Roadmap on dynamics of molecules and clusters in the gas phase
PublikacjaThis roadmap article highlights recent advances, challenges and future prospects in studies of the dynamics of molecules and clusters in the gas phase. It comprises nineteen contributions by scientists with leading expertise in complementary experimental and theoretical techniques to probe the dynamics on timescales spanning twenty orders of magnitudes, from attoseconds to minutes and beyond, and for systems ranging in complexity...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublikacjaConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Structure of Small Platinum Clusters Revised
PublikacjaW pracy opisano wyniki obliczeń metodą DFT struktury 2-15 atomowych klastrów platyny.
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Innovation by proxy – clusters as ecosystems facilitating open innovation
PublikacjaOpen innovation is a concept, whose attributes can be perceived as naturally complementing the proximity-based offer of clusters. The purpose of this paper is to investigate the potential role of clusters as intermediaries of open innovation for cluster members. A literature review and an exploratory study were performed, involving in-depth interviews with experts in the field of innovation and clusters in Poland. This article...
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Photocatalytic activity of TiO2 loaded with metal clusters
PublikacjaTiO2 modyfikowano powierzchniowo klasterami metali: srebra, złota i platyny. Zbadano wpływ rodzaju i ilości wprowadzonej domieszki, oraz matrycy TiO2 na aktywność fotokatalityczną otrzymanych próbek. Fotoaktywność próbek badano w reakcji degradacji fenolu (Co = 0,21 mmol/dm3 ) w zakresie światła Vis lub UV. Najwyższą aktywność zaobserwowano dla fotokatalizatorów zawierających 2%Ag, 1%Au oraz 0,5%Pt. Po 60 min naświetlania światłem...
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Proximity and Innovation in Clusters: How Close, How Far?
PublikacjaThe concept of proximity, whilst attractive cognitively, is still a poorly explored area in management sciences. The earliest publications on proximity were published at the end of the twentieth century and the development of this concept was strongly influenced by The French School of Proximity (Kirat & Lung, 1999; Rallet & Torre, 1999; Torre & Gilly, 2000; Carrincazeaux et al., 2001; Torre & Rallet, 2005). However, the most influential...
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Supporting the development of clusters in Poland - dillemas faced by public policy
PublikacjaClusters have proved to be an important source of competitiveness for the economic development of regions within the European Union. In recent years many countries in the EU and throughout the world have launched policies aimed at supporting the development of clusters. There are many examples of good practices in the field of cluster policy, but there is no single model that can be applied in all countries and regions. This paper...
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Water clusters in liquid organic matrices of different polarity
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THE PROBLEM OF AIRFLOW AROUND BUILDINGS CLUSTERS IN DIFFERENT CONFIGURATIONS
PublikacjaIn the paper, the authors discuss the construction of a model of an exemplary urban layout. Numerical simulation has been performed by means of a commercial software Fluent using two different turbulence models: the popular k-ε realizable one, and the Reynolds Stress Model (RSM), which is still being developed. The former is a 2-equations model, while the latter – is a RSM model – that consists of 7 equations. The studies have...
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Functionalization of electrode surfaces with monolayers of azocompounds and gold clusters.
PublikacjaWłaściwości monowarstw z azokoron na powierzchni złota były badane przy pomocy woltametrii i STM. Powierzchnia przypadająca na cząsteczkę została wyznaczona przy pomocy woltametrii i wynosi 0,65 nm kwadratowych. Wartość ta jest zgodna z wyznaczoną w oparciu o monowarstwę utworzoną na granicy powietrze-woda techniką Langmir-Blodgett. Tworzenie się klasterów złota i innych struktur obserwowano przy pomocy STM w przypadku gdy złota...
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Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters
PublikacjaThree new titanium oxo-clusters Ti4O2(OiPr)10(OOCPhMe)2 (I), Ti6O4(OEt)8(OOCPhMe)8 (II) and Ti6O6(OEt)6(OOCCHPh2)6 (III) were obtained by easy one-step solvothermal reactions of titanium(IV) isopropoxide, alcohols and carboxylic acids. The three compounds were characterized by single-crystal and powder X-ray diffraction, TGA/DSC, optical and electron microscopy, and FTIR and NMR spectroscopy. X-ray powder diffraction and spectroscopy...
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Electron attachment and electron iozization of acetic acid clusters embedded in helium nanodroplets
PublikacjaThe effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic productsejected in to the gas phase aredetected by mass spectrometry.
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Modification of titanium dioxide with platinum ions and clusters: application in photocatalysis
PublikacjaW celu polepszenia właściwości fotokatalitycznych, TiO2 (komercyjny-P25 oraz syntezowany metoda zol-żel) był domieszkowany za pomocą jonów lub klasterów [Pt3(CO)6]62- platyny. Własności fizyczne fotokatalizatorów były badane za pomocą elektronowego mikroskopu transmisyjnego (TEM), dyfraktometru rentgenowskiego (XRD) oraz analizatora powierzchni właściwej (BET). Dyfuzyjna spektrometria odbiciowa (DRS) została zastosowana w celu...
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CeIr3: superconductivity in a phase based on tetragonally close packed clusters
PublikacjaWe present the crystallographic analysis, superconducting and spectroscopic characterization, and theoretical modeling of CeIr3. Lattice parameters a = 5.2945(1) Å and c = 26.219(1) Å are found for the R-3m symmetry crystal structure, which are close to the literature values. CeIr3 is a moderate type-II superconductor (κ GL = 17, λ e–p = 0.65) below 2.5 K. Ce ions exhibit a strongly intermediate valence character as evidenced by...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublikacjaCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Assessment of the Feasibility of Energy Transformation Processes in European Union Member States
PublikacjaThe energy transition is now treated in most countries as a necessary condition for their long-term development. The process of energy transformation assumes the simultaneous implementation of the Sustainable Development Goals, which are a major challenge for modern economies and introduce significant restrictions in their functioning. Our study aims to group EU member states according to their ability to achieve energy transition...
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Trouble in Paradise? Barriers to Open Innovation in Regional Clusters in the Era of the 4th Industrial Revolution
PublikacjaThe purpose of this paper is to provide an insight into the barriers faced by clusters as open innovation intermediaries. Literature review and an empirical study were performed, involving a nation-wide survey, case studies, and in-depth interviews with cluster actors involved in open innovation activities. This article conceptually links open innovation and clusters in the context of the fourth industrial revolution, empirically...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublikacjaWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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Energy-Aware Scheduling for High-Performance Computing Systems: A Survey
PublikacjaHigh-performance computing (HPC), according to its name, is traditionally oriented toward performance, especially the execution time and scalability of the computations. However, due to the high cost and environmental issues, energy consumption has already become a very important factor that needs to be considered. The paper presents a survey of energy-aware scheduling methods used in a modern HPC environment, starting with the...
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Investigation of the magnetic hyperthermia effect in an aqueous dispersion of colloidosomal nanoparticle clusters
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Formation of Enormously Strongly Bound Anionic Clusters Predicted in Binary Superacids
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How do Clusters Foster Sustainable Development? An Analysis of EU Policies
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BC-MPI: running an mpi application on multiple clusters with beesycluster connectivity
PublikacjaW artykule zaproponowano nowy pakiet BC-MPI, który umożliwiauruchomienie aplikacji MPI na wielu klastrach z różnymi implementacjami MPI. Wykorzystuje dedykowane implementacje MPIdo komunikacji wewnątrz klastrów oraz tryb MPI THREAD MULTIPLE dokomunikacji pomiędzy klastrami w dodatkowych wątkach aplikacji MPI. Ponadto, aplikacja BC-MPI może być automatycznie skompilowanai uruchomiona przez warstwę pośrednią BeesyCluster. BeesyClusterumożliwia...
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Energy-Aware High-Performance Computing: Survey of State-of-the-Art Tools, Techniques, and Environments
PublikacjaThe paper presents state of the art of energy-aware high-performance computing (HPC), in particular identification and classification of approaches by system and device types, optimization metrics, and energy/power control methods. System types include single device, clusters, grids, and clouds while considered device types include CPUs, GPUs, multiprocessor, and hybrid systems. Optimization goals include various combinations of...
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Cyanido-Bridged Clusters with Remote N-Oxide Groups for Branched Multimetallic Systems
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Searching for space-time clusters: The CutL method compared to Kulldorff’s scan statistic
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Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models
PublikacjaW artykule opisano wzrost klastrów krytycznych w ramach klasycznego podejścia fenomenologicznego oraz dynamiczno-molekularnego (MD). Została wyprowadzona nowa formuła opisujaca liczbę klastrów krytycznych. Sformułowano równania opisujace wczesne etapy wzrostu kropli o rozmiarach krytycznych. Opisano wyniki symulacji dynamiczno-molekularnych powstawania klastrów w jednorodnej parze przesyconej oraz podano czasowe zmiany rozkładu...
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PVM Web Cluster: integration of PVM clusters using Web services and CORBA.
PublikacjaProponujemy nową architekturę i jej implementację PVM Web Cluster, która umożliwia łatwe zrównoleglanie wykonania zadań PVM zarówno na geograficznie rozproszone klastry PVM jak i wewnątrz nich. Uruchamianie zadań jest wykonywane poprzez wywołanie usługi sieciowej (Web service), która negocjuje najlepszy klaster (klastry) dla danego zadania i komunikuje się z klastrami za pomocą standardu CORBA.
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Early stage of critical clusters growth in phenomenological and Molecular Dynamic simulation models.
PublikacjaOpisano proces kondensacji pary wodnej w ujĘciu fenomenologicznymi dynamiczno-molekularnym. Wczesne fazy wzrostu klastra opisano w ramach klasycznej teorii Hertza-Knudsena. Obszernie przedstawiono wyniki symulacji dynamiczno-molekularnych zjawiska kondensacji pary wodnej z jednorodnej fazy gazowej (przebieg powstawania małych klastrów H2O i szybkość wzrostu klastrów ponadkrytycznych).
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(MgO)n−(n=1–5)Clusters: Multipole-Bound Anions and Photodetachment Spectroscopy
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Binary and Ternary Core–Shell Crystals of Polynuclear Coordination Clusters via Epitaxial Growth
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Parallel simulations of electrophysiological phenomena in myocardium on large 32 and 64-bit Linux clusters.
PublikacjaW pracy podjęto badania i przeprowadzono symulacje zjawisk elektrofizjologicznych w mięśniu sercowym z wykorzystaniem wytworzonego w tym celu oprogramowania równoległego opartego na MPI. Zaimplementowano i zbadano ulepszenia kodu prowadzące do uzyskania dobrej skalowalności oraz przeprowadzono testy wydajności na najnowszych 32 i 64-bitowych klastrach linuksowych. Praca stanowi próbę równoległej implementacji znanego podejścia...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublikacjaThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Chromium Cluster Luminescence: Advancing Near‐Infrared Light‐Emitting Diode Design for Next‐Generation Broadband Compact Light Sources
Dane BadawczeIn modern technology devices, an energy-saving miniature near-infrared (NIR) light source plays a critical role in non-destructive, non-invasive sensing applications and further advancement of technology. This dataset reports the broadband NIR luminescence of Cr3+ clusters for designing phosphor-converted NIR light-emitting diodes as an alternative...
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublikacjaThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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INDUSTRIAL CLUSTERS AS A DEVICE OF STIMULATION OF COOPERATION AND INNOVATION OF SMALL AND MEDIUM-SIZED ENTERPRISES IN THE AREA OF BIO-ECONOMY
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublikacjaIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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Tuning of the phase transition between site selective SCO and intermetallic ET in trimetallic magnetic cyanido-bridged clusters
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Syntheses, structures, and chiroptical and magnetic properties of chiral clusters built from Schiff bases: a novel [MnIIMnIII6NaI2] core
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Effective Targeting of Colon Cancer Cells with Piperine Natural Anticancer Prodrug Using Functionalized Clusters of Hydroxyapatite Nanoparticles
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublikacjaIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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WYDZIELONE STRUKTURY W ZDECENTRALIZOWANYM SYSTEMIE ELEKTROENERGETYCZNYM
PublikacjaJednym z trendów, które są obserwowane we współczesnych systemach elektroenergetycznych jest stopniowa decentralizacja, będąca w dużej mierze efektem rosnącej roli generacji rozproszonej oraz ewolucją odbiorców w stronę prosumeryzmu. Rośnie rola lokalnego bilansowania i rodzi się zapotrzebowanie na powstawanie lokalnych struktur organizacyjnych, dążących do wydzielenia części infrastruktury elektroenergetycznej. Rodzi to nie tylko...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
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Li nucleation on the graphite anode under potential control in Li-ion batteries
PublikacjaApplication of Li-ion batteries in electric vehicles requires improved safety, increased lifetime and high charging rates. One of the most commonly used intercalation anode material for Li-ion batteries, graphite, is vulnerable to Li nucleation, a side reaction which competes with the intercalation process and leads to loss of reversible capacity of the battery, ageing and short-circuits. In this study, we deploy a combined grand...
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Assessment of unusual failure in crankshaft of heavy-duty truck engine
PublikacjaThe unusual premature failure of a heavy-duty truck engine crankshaft has been the subject of a rigorous study, and this manuscript describes it in detail. The failure was happened to begin with the growth of the crack from the surface defects, in the form of the clusters of non-metallic inclusions, in the lubrication hole zone of the first main journal, which was the stress concentration zone. A series of experiments including...
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A heterotrimetallic synthetic approach in versatile functionalization of nanosized {MxCu13–xW7}3+ and {M1Cu8W6} (M = Co, Ni, Mn, Fe) metal–cyanide magnetic clusters
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Modulation of the FeII spin crossover effect in the pentadecanuclear {Fe9[M(CN)8]6} (M = Re, W) clusters by facial coordination of tridentate polyamine ligands
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Enhanced Charge Storage Mechanism And Long-Term Cycling Stability In Diamondized Titania Nanocomposite Supercapacitors Operating In Aqueous Electrolytes
PublikacjaThe long cycle life stability jointly with high energy density are limiting broader feasible applications of supercapacitors. The novel diamondized titania nanocomposite supercapacitors deliver high power and energy densities along with high capacitance retention rates. Supercapacitor electrodes were fabricated utilizing a combination of Ti anodization followed by chemical vapor deposition resulting in simultaneous growth of complex...
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Physical properties of homogeneous TiO2 films prepared by high power impulse magnetron sputtering as a function of crystallographic phase and nanostructure
PublikacjaOptical, photo-electrochemical, crystallographic and morphological properties of TiO2 thin films prepared by high power impulse magnetron sputtering at low substrate temperatures (<65 ◦C) without post-deposition thermal annealing are studied. The film composition-anatase, rutile or amorphous TiO2-is adjusted by the pressure (p ∼ 0.75-15 Pa) in the deposition chamber. The different crystallographic phases were determined with grazing...
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Paweł Czarnul dr hab. inż.
OsobyPaweł Czarnul uzyskał stopień doktora habilitowanego w dziedzinie nauk technicznych w dyscyplinie informatyka w roku 2015 zaś stopień doktora nauk technicznych w zakresie informatyki(z wyróżnieniem) nadany przez Radę Wydziału Elektroniki, Telekomunikacji i Informatyki Politechniki Gdańskiej w roku 2003. Dziedziny jego zainteresowań obejmują: przetwarzanie równoległei rozproszone w tym programowanie równoległe na klastrach obliczeniowych,...
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Surface diffusion and cluster formation of gold on the silicon (111)
PublikacjaPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Elastic scattering of electrons by water: An ab initio study
PublikacjaIn this work we devise a theoretical and computational method to compute the elastic scattering of electrons from a non-spherical potential, such as in the case of molecules and molecular aggregates. Its main feature is represented by the ability of calculating accurate wave functions for continuum states of polycentric systems via the solution of the Lippmann-Schwinger equation, including both the correlation effects and multi-scattering...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublikacjaReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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Chiral [Mn II Mn III 3 M′] (M′=Na I , Ca II , Mn II ) and [Mn II Mn III 6 Na I 2 ] Clusters Built from an Enantiomerically Pure Schiff Base: Synthetic, Chiroptical, and Magnetic Properties
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The electrochemical impedance spectroscopy studies of the anode material based on polymer and starch derived ceramic for lithium ion batteries
PublikacjaThe anode materials derived of preceramic polymer poly(1,2-dimethylsilazane) (PSN) and starch was study. Commercially available polysilazane (poly(1,2-dimethylsilazane (PSN 2M01 Gelest) was mixed with commercially available starch (POCH Gliwice). The ratio polymer/starch (PSN/starch) was 1/1 or 3/7. The polysialazane/starch blend was cross-linked at 230 ºC for 2 h followed by heating to the final temperature (500 ºC, 700 ºC and...
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Hydrothermal modification of TiO2 nanotubes in water and alkali metal electrolytes (LiNO3, NaNO3, KNO3) – Direct evidence for photocatalytic activity enhancement
PublikacjaThe influence of hydrothermal annealing (HA) of TiO2 nanotubes (TiO2-NTs) in various baths (H2O, LiNO3, NaNO3, KNO3 performed for 4 h, 24 h, 64 h), on their photocatalytic and photoelectrocatalytic properties, was studied. The use of electrolytes was to enable the monitoring of photoactivity changes as a result of the expected impact on the population of hydroxyl groups on the surface. The assumption turned out to be correct and...
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Tuning of High Spin Ground State and Slow Magnetic Relaxation within Trimetallic Cyanide‐Bridged {Ni II x Co II 9− x [W V (CN) 8 ] 6 } and {Mn II x Co II 9− x [W V (CN) 8 ] 6 } Clusters
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Development of cluster analysis methodology for identification of model rainfall hyetographs and its application at an urban precipitation field scale
PublikacjaDespite growing access to precipitation time series records at a high temporal scale, in hydrology, and particularly urban hydrology, engineers still design and model drainage systems using scenarios of rainfall temporal distributions predefined by means of model hyetographs. This creates the need for the availability of credible statistical methods for the development and verification of already locally applied model hyetographs....
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Social learning and knowledge flows in cluster initiatives, In: Sanz S.C., Blanco F.P., Urzelai B. (Eds). Human and Relational Resources (pp. 44-45). the 4th International Conference on Clusters and Industrial Districts CLUSTERING, University of Valencia, Spain, May 23–24 (ISBN: 978-84-09-11926-4).
PublikacjaPurpose – The purpose of the paper is to explore how learning manifests and knowledge flows in cluster initiatives (CIs) due to interactions undertaken by their members. The paper addresses the research question of how social learning occurs and knowledge flows in CIs. Design/methodology/approach – The qualitative study of four cluster initiatives helped to identify various symptoms of social learning and knowledge flows in...
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Frontispiece: Tuning of High Spin Ground State and Slow Magnetic Relaxation within Trimetallic Cyanide‐Bridged {Ni II x Co II 9− x [W V (CN) 8 ] 6 } and {Mn II x Co II 9− x [W V (CN) 8 ] 6 } Clusters
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The effect of imidazolium ionic liquid on the morphology of Pt nanoparticles deposited on the surface of SrTiO3 and photoactivity of Pt–SrTiO3 composite in the H2 generation reaction
PublikacjaPhotocatalytic water splitting has great potential in solar-hydrogen production as a low-cost and environmentally friendly method. Different unique techniques used to obtain photocatalysts with various modifications to improve H2 generation have been introduced. In the present work, SrTiO3 was successfully synthesized via the solvothermal method in the presence of ionic liquid (IL) - 1-butyl-3-methylimidazolium bromide ([BMIM][Br])...
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Induction of the common-sense hierarchies in lexical data
PublikacjaUnsupervised organization of a set of lexical concepts that captures common-sense knowledge inducting meaningful partitioning of data is described. Projection of data on principal components allow for dentification of clusters with wide margins, and the procedure is recursively repeated within each cluster. Application of this idea to a simple dataset describing animals created hierarchical partitioning with each clusters related...
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Self-healing mechanism of metallopolymers investigated by QM/MM simulations and Raman spectroscopy
PublikacjaThe thermally induced self-healing mechanisms in metallopolymers based on bisterpyridine complexes of iron(II) sulfate and cadmium(II) bromide, respectively, were studied by means of combined quantum mechanical/molecular mechanical (QM/MM) simulations and Raman spectroscopy. Two possible healing schemes, one based on a decomplexation of the cross-linking complexes and a second one relying on the dissociation of ionic clusters,...
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0-step K-means for clustering Wikipedia search results
PublikacjaThis article describes an improvement for K-means algorithm and its application in the form of a system that clusters search results retrieved from Wikipedia. The proposed algorithm eliminates K-means isadvantages and allows one to create a cluster hierarchy. The main contributions of this paper include the ollowing: (1) The concept of an improved K-means algorithm and its application for hierarchical clustering....
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Smart Specialization through Cluster Policy. Evidence from Poland and Germany
PublikacjaThe purpose of the chapter is to investigate the interlinks and commonalities between clusters and regional smart specialization strategies (through the prism of experiences of Polish and German regions). The main research strategy was international comparative analysis, and the basic technique for collecting data was document analysis. The research used the four-level procedure of selecting documents, which allowed identification...
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The Use of an Autoencoder in the Problem of Shepherding
PublikacjaThis paper refers to the problem of shepherding clusters of passive agents consisting of a large number of objects by a team of active agents. The problem of shepherding and the difficulties that arise with the increasing number of data describing the location of agents have been described. Several methods for reducing the dimensionality of data are presented. Selected autoencoding method using a Restricted Boltzmann Machine is...
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A Concept of Modeling and Optimization of Applications in Large Scale Systems
PublikacjaThe chapter presents the idea that includes modeling and subsequent optimization of application execution on large scale parallel and distributed systems. The model considers performance, reliability and power consumption. It should allow easy modeling of various classes of applications while reflecting key parameters of both the applications and two classes of target systems: clusters and volunteer based systems. The chapter presents...
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Development of biocompatible iron oxide-silicon oxide core-shell nanoparticles as subcellular delivery platform for glucosamine-6-phosphate synthase inhibitors
PublikacjaIn order to develop the preparation of iron oxide-silica coreshell nanoparticles (CSNPs), thesis deeply explores the cetyltrimethylammonium (CTA+) directed silica coating methods of the oleic-acid capped iron oxide nanoparticles (OA-IONPs) initialized under near-neutral pH conditions. It is demonstrated that the initial alkaline hydrolysis of ethyl acetate in the presence of CTA+ and OA-IONPs induces an unusual ligand exchange...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublikacjaWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Factors that strengthen and weaken the identity of the cluster structures
PublikacjaThe main aim of this paper is the application of "identity" to the issues related to "clustering process" and particularly - to the cooperation in the clusters and the cluster initiatives. The authors distinguish these factors that have the greatest influence on the formation and maintenance of identity in mentioned networks of cooperation.
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn 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...
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RuAl6—An Endohedral Aluminide Superconductor
PublikacjaSuperconductivity is reported in an endohedral aluminide compound, RuAl6, with Tc = 1.21 K. The normalized heat capacity jump at Tc, ΔC/γTc = 1.58, confirms bulk superconductivity. The Ginzburg–Landau parameter of κ = 9.5 shows that RuAl6 is a type-II superconductor. Electronic structure calculations for RuAl6 are explored in comparison to its structural analogue ReAl6 (Tc = 0.74 K). The stability of the phases is discussed in...
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Considerations of Computational Efficiency in Volunteer and Cluster Computing
PublikacjaIn the paper we focus on analysis of performance and power consumption statistics for two modern environments used for computing – volunteer and cluster based systems. The former integrate computational power donated by volunteers from their own locations, often towards social oriented or targeted initiatives, be it of medical, mathematical or space nature. The latter is meant for high performance computing and is typically installed...
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Technological Capability and Absorptive Capacity Dynamics through Cluster Organizations, In: Sekliuckienė J., Susnienė R. (Eds). AIB-CEE 2019. Book of abstracts (pp. 127), 6th Academy of International Business Central Eastern European (AIB-CEE) chapter annual conference: „International business in the dynamic environment: changes in digitalization, innovation and entrepreneurship”, Kaunas University of Technology, Lithuania, September 25-27 (eISBN 9786090216378)
PublikacjaThe purpose of the paper is to portrait how members of cluster organizations (COs) perceive the role of clusters in enabling them accumulation of technological capability significant for their innovation. The authors report the findings from the qualitative study based on analysis of four COs from the metal and the highly internationalized ICT industry that concerns the role of knowledge and other cluster benefits in technological...
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Dissociative multi-photon ionization of isolated uracil and uracil-adenine complexes
PublikacjaRecent multi-photon ionization (MPI) experiments on uracil revealed a fragment ion at m/z 84 that was proposed as a potential marker for ring opening in the electronically excited neutral molecule. The present MPI measurements on deuterated uracil identify the fragment as C3H4N2O+ (uracil+ less CO), a plausible dissociative ionization product from the theoretically predicted open-ring isomer. Equivalent measurements on thymine...
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On a matching distance between rooted phylogenetic trees
PublikacjaThe Robinson–Foulds (RF) distance is the most popular method of evaluating the dissimilarity between phylogenetic trees. In this paper, we define and explore in detail properties of the Matching Cluster (MC) distance, which can be regarded as a refinement of the RF metric for rooted trees. Similarly to RF, MC operates on clusters of compared trees, but the distance evaluation is more complex. Using the graph theoretic approach...
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Runtime Visualization of Application Progress and Monitoring of a GPU-enabled Parallel Environment
PublikacjaThe paper presents design, implementation and real life uses of a visualization subsystem for a distributed framework for parallelization of workflow-based computations among clusters with nodes that feature both CPUs and GPUs. Firstly, the proposed system presents a graphical view of the infrastructure with clusters, nodes and compute devices along with parameters and runtime graphs of load, memory available, fan speeds etc. Secondly,...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublikacjaThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Shape-Based Pose Estimation of Robotic Surgical Instruments
PublikacjaWe describe a detector of robotic instrument parts in image-guided surgery. The detector consists of a huge ensemble of scale-variant and pose-dedicated, rigid appearance templates. The templates, which are equipped with pose-related keypoints and segmentation masks, allow for explicit pose estimation and segmentation of multiple end-effectors as well as fine-grained non-maximum suppression. We train the templates by grouping examples...
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Increasing K-Means Clustering Algorithm Effectivity for Using in Source Code Plagiarism Detection
PublikacjaThe problem of plagiarism is becoming increasingly more significant with the growth of Internet technologies and the availability of information resources. Many tools have been successfully developed to detect plagiarisms in textual documents, but the situation is more complicated in the field of plagiarism of source codes, where the problem is equally serious. At present, there are no complex tools available to detect plagiarism...
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Model of Volunteer Based Systems.
PublikacjaThere are two main approaches to processing tasks requiring high amounts of computational power. One approach is using clusters of mostly identical hardware, placed in dedicated locations. The other approach is outsourcing computing resources from large numbers of volunteers connected to the Internet. This chapter attempts to formulate a mathematical model of the volunteer based approach to distributed computations and apply it...
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Are Pair Trading Strategies Profitable During COVID-19 Period?
PublikacjaPair trading strategy is a well-known profitable strategy in stock, forex, and commodity markets. As most of the world stock markets declined during COVID-19 period, therefore this study is going to observe whether this strategy is still profitable after COVID-19 pandemic. One of the powerful algorithms of DBSCAN under the umbrella of unsupervised machine learning is applied and three clusters were formed by using market and accounting...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublikacjaThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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Ferromagnetic nanocrystallites in the SiO2 - PbO - Fe2O3 glass system
PublikacjaThe structure of 50% SiO2 - 35% PbO - 15% Fe2O3, 50% SiO2 - 30% PbO - 20% Fe2O3 and 50% SiO2 - 25% PbO - 25% Fe2O3 (in mol%) glass was investigated by the means of AFM microscopy and X-ray diffraction. Observation by the atomic force microscopy shows that each of prepared iron oxide glass doesn't have homogeneous structure and some nanocrystallites were detected. Next, test with neodymium magnet found out strong magnetic properties...
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Self-organising maps in the analysis of strains of human abdominal wall to identify areas of similar mechanical behaviour.
PublikacjaThe study refers to the application of a type of artificial neural network called the Self-Organising Map (SOM) for the identification of areas of the human abdominal wall that behave in a similar mechanical way. The research is based on data acquired during in vivo tests using the digital image correlation technique (DIC). The mechanical behaviour of the human abdominal wall is analysed during changing intra-abdominal pressure....