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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Measurements of Dispersed Phase Velocity in Two-Phase Flows in Pipelines Using Gamma-Absorption Technique and Phase of the Cross-Spectral Density Function
PublicationThis paper concerns the application of the gamma radiation absorption method in the measurements of dispersed phase velocity in two-phase flows: liquid–gas flow in a horizontal pipe- line and liquid–solid particles in a vertical pipe. Radiometric sets containing two linear 241Am gamma radiation sources and two NaI(Tl) scintillation detectors were used in the research. Due to the stochastic nature of the signals obtained from the...
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Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
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Silicon oxycarbide-tin nanocomposite derived from a UV crosslinked single source preceramic precursor as high-performance anode materials for Li-ion batteries
PublicationIn this work, we report an innovative and facile UV light-assisted synthesis of a nanocomposite based on silicon oxycarbide (SiOC) and tin nanoparticles. SiOC ceramic matrix, containing a conductive free carbon phase, participates in lithium-ion storage, and buffers the volume changes of Li-alloying/de-alloying material. The reported synthesis procedure through a polymer-derived ceramic route involves the preparation of a single-source...
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Evaluation by means of magneto-acoustic emission and Barkhausen effect of time and space distribution of magnetic flux density in ferromagnetic plate magnetized by a C-core
PublicationPokazano wyniki badań emisji magnetoakustycznej (EMA) i efektu Barkhausena (HEB) dla dwóch płyt stalowych o różnych wymiarach. Wyniki te są porównane z wynikami modelowania zjawiska EMA z wykorzystaniem metody elementów skończonych z uwzględniem efektu prądów wirowych. Uzyskano zadawalające dopasowanie modelu, który odtwarzał poszerzenie maksimum EMA oraz przesunięcie fazowe i zmianę amplitudy HEB.
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Anion–π recognition between [M(CN)6]3− complexes and HAT(CN)6: structural matching and electronic charge density modification
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Electrical signatures of Nimbostratus and Stratus clouds in ground-level vertical atmospheric electric field and current density at mid-latitude station Swider, Poland
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Dermal microvessel density and maturity is closely associated with atherogenic dyslipidemia and accumulation of advanced glycation end products in adult patients with type 1 diabetes
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Radiation dose distributions in three dimensions from tomographic optical density scanning of polymer gels: II. Optical properties of the BANG polymer gel
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Fine-Tuning the Photocatalytic Activity of the Anatase {1 0 1} Facet through Dopant-Controlled Reduction of the Spontaneously Present Donor State Density
PublicationThe present study highlights the importance of the net density of charge carriers at the ground state on photocatalytic activity of the faceted particles, which can be seen as a highly underexplored problem. To investigate it in detail, we have systematically doped {1 0 1} enclosed anatase nanoparticles with Gd3+ ions to manipulate the charge carrier concentration. Furthermore, control experiments using an analogical Nb5+ doped...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublicationThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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The project IDENT: Multimodal biometric system for bank client identity verification
PublicationBiometric identity verification methods are implemented inside a real banking environment comprising: dynamic handwritten signature verification, face recognition, bank cli-ent voice recognition and hand vein distribution verification. A secure communication system based on an intra-bank client-server architecture was designed for this purpose. Hitherto achieved progress within the project is reported in this paper with a focus...
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Recycling Gdańsk´s an urban spaces: the proceses supporting the identity of the city
PublicationPrzeobrażenia epoki postindustrialnej przybliżają wyobrażenie miasta inten- sywnego i zróżnicowanego. Istnieje potrzeba dostosowania istniejącej struk- tury miasta na nowych oczekiwań, poprzez uwypuklenie narracji już zapisanych w strukturze miasta, między innymi w nie docenianych obecnie układach wod- nych. Wskazano także na potencjał przetwarzania przestrzeni miasta związany z prawidłowym skonfigurowaniem przestrzennym samego...
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(Lost) Pride and Prejudice. Journalistic Identity Negotiation Versus the Automation of Content
PublicationThe objective of our research was to broaden the knowledge regarding the relationship between the work of journalists and their professional identity, and, in particular, to identify the attitudes of this professional group towards algorithmic content creation under conditions of liminality. Previously, the implementation of the technology of algorithmic content creation by media organisations was associated primarily with financial...
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Non-Least Square GNSS Positioning Algorithm for Densely Urbanized Areas
PublicationThe paper introduces an essentially new algorithm for calculating the GNSS position as an alternative to the least-square method. The proposed approach can be widely applied to any positioning method that uses multiple position lines for position calculation and is an example ofhow using a numerical solution can improve position accuracy without access to historical data. In essence, the method is based on the adaptation of the...
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Analysis of results of large-scale multimodal biometric identity verification experiment
PublicationAn analysis of a large set of biometric data obtained during the enrolment and the verification phase in an experimental biometric system installed in bank branches is presented. Subjective opinions of bank clients and of bank tellers were also surveyed concerning the studied biometric methods in order to discover and to explore relations emerging from the obtained multimodal dataset. First, data acquisition and identity verification...
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Power Grid Frequency Estimation Based on Zero Crossing Technique Using Least Squares Method to Approximate Sampled Voltage Signal Around Zero Level
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Syntheses, chemical strustures and properties of poly(ester-etherurethane)s crosslinked with styrene, synthesized from unsaturated oligo(alkylene ester-ether)diols and 4,4'-diphenylmethane diisocyanate
PublicationMetodą dwuetapową, w reakcji syntezy wytworzonych uprzednio oligo(alkilenoestro-etero)dioli (OAEE) z 4,4'-diizocyjanianem difenylometanu (MDI) otrzymano nowe nienasycone poli(estro-eterouretany) (NPEEUR), które następnie poddano sieciowaniu styrenem wobec inicjatorów polimeryzacji rodnikowej: nadtlenku metyloetyloketonu (MEKPO) i 2-etylocykloheksanianu kobaltu (EtHCo). Usieciowane PEEUR scharakteryzowano na podstawie badań wytrzymałości...
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Shaping Place Identity through Interaction on the Example of the European Solidarity Centre in Gdansk
PublicationThe article presents process of shaping place identity on the example of an important for Pomerania region investment - European Solidarity Centre. The realization of the European Solidarity Centre aims to be one of the essential elements of shaping Gdańsk’s identity of space. The article is an attempt to analyse how the presence of realization gradually affects the formation of the place identity of new urban space. Analysis...
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Analysis of factors influencing the density of fatalities on national roads in poland = Analiza czynników wpływających na gęstość ofiar śmiertelnych na drogach krajowych w Polsce
PublicationW referacie przedstawiono doświadczenia innych krajów i wstępne wyniki badań wpływu wybranych czynników na gęstość i liczbę ofiar śmiertelnych wypadków drogowych na drogach krajowych w Polsce.
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Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublicationIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
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Badanie i porównanie zdolności wybranych leków i związków przeciwnowotworowych do międzyłańcuchowego sieciowania DNA mitochondrialnego i jądrowego w komórkach nowotworowych
PublicationCelem pracy było zbadanie zdolności przeciwnowotworowych związków do indukowania międzyłańcuchowych wiązań sieciujących DNA mitochondrialne w ludzkich komórkach nowotworowych oraz porównanie ze zdolnością do sieciowania DNA jądrowego. Pochodna 4-metylo-1-nitroakrydyny C-1748, Ledakrin i mitomycyna C wykazują zdolność do sieciowania mtDNA i jDNA w komórkach raka okrężnicy HCT-8 w sposób zależny od dawki; C-1748 w komórkach raka...
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Is participation in music festivals a self-expansion opportunity? Identity, self-perception, and the importance of music’s functions
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Identity Fusion and Status of the Evaluator as Moderators of Self-Enhancement and Self-Verification at the Group Level of Self-Description
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Is Easy Access Related to Better Life? Walkability and Overlapping of Personal and Communal Identity as Predictors of Quality of Life
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Persistences: analysis of the image of Gdańsk and its cultural identity through survey processes and digital architectural representation
PublicationThe aim of the research was to analyse the historical legacy/heritage of the city of Gdańsk in order to characterise the narrative tools which can be used to promote the cultural identity of the urban landscape. The main focus was on the city's defence system - a cultural route that is spatially limited to a relatively small area, but temporally spanning almost a millennium. The fortifications demarcate a spatial boundary, limiting...
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Revitalized Mill Island in Bydgoszcz - the identity of the place created by the Brda River and its tributary named Młynowka
PublicationMill Island in Bydgoszcz, Poland is an example of downtown public space where a meander of the Młynówka creates the identity of the area.Before 2005, the only outstanding local feature was the fact that its south and west ends resembled the Venetian canals. The way the other parts of Mill Island were managed was inappropriate for a downtown.A comprehensive revitalization programme is returning Mill Island public space to residents,...
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Computational fluid dynamics simulation of heat transfer from densely packed gold nanoparticles to isotropic media
PublicationThis work aims to determine and compare heat generation and propagation of densely packed gold nanoparticles (Au NPs) induced by a resonant laser beam (532 nm) according to the Mie theory. The heat flux propagation is transferred into the materials, which here are: silica glass; soda-lime-silica glass; borosilicate glass; polymethyl methacrylate (PMMA); polycarbonate (PC); and polydimetylosiloxane (PDMS). This analysis aims to...
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The influence of screw configuration and screw speed of co-rotating twin screw extruder on the properties of products obtained by thermomechanical reclaiming of ground tire rubber
PublicationThe results of our investigations on the process of continuous thermomechanical reclaiming of ground tire rubber (GTR) carried out using a twin screw extruder are presented.We used a co-rotating twin screw extruder with a special configuration of plasticizing unit, enabling generation of considerable shear forces. The influence of screw configuration and screw speed on breaking of chemical crosslink bonds contained in ground tire...
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Rigid polyurethane foams modified with ground tire rubber - mechanical, morphological and thermal studies
PublicationRigid polyurethane foams, prepared by a single step method, were modified with the two types of ground tire rubber particles, i.e. untreated and thermo-mechanically reclaimed by using a co-rotating twin screw extruder. The foaming process as well as the structure and the physical, mechanical and thermal properties of the resulting foams were investigated. The presence of ground tire rubber decreased the velocity of polymerization....
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What makes a group worth dying for? Identity fusion fosters perception of familial ties, promoting self-sacrifice.
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Historic Urban Settings, LED Illumination and its Impact on Nighttime Perception, Visual Appearance, and Cultural Heritage Identity
PublicationMany cities, towns and villages around the world have adopted new Lighting Emitting Diode (LED) technology in order to save energy, operational and maintenance costs. While energy-efficient, these light sources have a critical effect on the appearance of historic sites at night and the technology has unique properties and numerous inherent drawbacks that present challenges to decision makers as well as inexperienced lighting...
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Stable nanoconjugates of transferrin with alloyed quaternary nanocrystals Ag–In–Zn–S as a biological entity for tumor recognition
PublicationOne way to limit the negative effects of anti-tumor drugs on healthy cells is targeted therapy employing functionalized drug carriers. Here we present a biocompatible and stable nanoconjugate of transferrin anchored to Ag-In-Zn-S quantum dots modified with 11-mercaptoundecanoic acid (Tf-QD) as a drug carrier versus typical anticancer drug, doxorubicin. Detailed investigations of Tf-QD nanoconjugates without and with doxorubicin...
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OVERLAP BETWEEN PERSONAL AND GROUP IDENTITY AND ITS RELATION WITH RADICAL PRO-GROUP ATTITUDES: DATA FROM A CENTRAL EUROPEAN CULTURAL CONTEXT
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Korporacja Guggenheima- globalny charakter sieci muzeów a tożsamość miasta = Guggenheim's Corporation- global character of museums' network vresus city identity
PublicationFundacja Solomona R. Guggenheima jest instytucją zajmującą się promowaniem współczesnej kultury wizualnej za pomocą organizowanych wystaw, badań, programów edukacyjnych oraz publikacji. Architektura obiektów wystawienniczych związanych z Fundacją, jest przedmiotem i zarazem pełni rolę środka promocji współczesnej sztuki. Status instytucji przewiduje globalną ekspansję, jednak dotychczas w gestii władz Fundacji znajdują się: siedziba...
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Architektura współczesnego muzeum i jej znaczenie dla tożsamości krajobrazu miasta = The Architecture of Contemporary Museum and its Significance for the Identity of the Urban Landscape
PublicationArtykuł dotyczy architektury współczesnych muzeów, które pod koniec XX w. przeszły znaczący rozwój jako instytucje publiczne. Oprócz specyficznych wymagań technicznych, funkcjonalnych, estetycznych i kulturowych, ich charakterystyczną cechą jest wzrastające zapotrzebowanie na przestrzeń dodatkową służącą edukacji, odpoczynkowi, rozrywce i strefie komercyjnej (handlu i usług). Atrakcyjna przestrzeń publiczna zapewnia dostęp do wszystkich...
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Toward a universal Embedded-Atom Method: II. A set of transferable denisty and dimmer referenced embedding energy functions for all elements of the periodic table as tool for removing two gauge degrees of freedom in EAM potentials
PublicationZestaw kluczowych właściwości homodwuatomowych cząsteczek o Z ≤ 103 (równowagowa odległość między atomami re, energia dysocjacji DO, Liczba falowa drgań ωe) zostały zestawione na bazie dostępnych danych eksperymantalnych oraz obliczeń za pomocą teorii funkcjonałów gęstości elektronowej B3LYP/SBKJC.
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Structure, Mechanical, Thermal and Fire Behavior Assessments of Environmentally Friendly Crude Glycerol-Based Rigid Polyisocyanurate Foams
PublicationIn this work, rigid polyisocyanurate foams were prepared at partial substitution (0–70 wt%) of commercially available petrochemical polyol, with previously synthesized biopolyol based on crude glycerol and castor oil. Influence of the biopolyol content on morphology, chemical structure, static and dynamic mechanical properties, thermal insulation properties, thermal stability and flammability was investigated. Incorporation of...
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What do I gain from joining crowds? Does self-expansion help to explain the relationship between identity fusion, group efficacy and collective action?
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Tożsamość architektury jako odpowiedź na kontekst funkcji i miejsca na przykładzie budynku muzeum = Identity of architecture as a response to the context of function and place on the example of museum building
PublicationArchitektura starożytna, będąca przedmiotem dzieła Witruwiusza stanowi korzenie europejskiej myśli architektonicznej. Klasycyzm określił kanony i archetypy obowiązujące przez stulecia w projektowaniu muzeów. Wielowątkowość współczesnej sztuki, postęp w zakresie technologii budownictwa oraz dążenie do oryginalnością spowodowały odejście od jednej obowiązującej teorii i kanonu piękna w architekturze. Współczesne projekty muzeów reprezentują...
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Comparative study of high‑pressure fluid flow in densely packed granules using a 3D CFD model in a continuous medium and a simplified 2D DEM‑CFD approach. Granular Matter
PublicationIzotermiczny ściśliwy jednofazowy przepływ cieczy przez niejednorodną masę ziarnistą składającą się z gęsto upakowanych zachodzących na siebie kul imitujących skałę pod wysokim ciśnieniem zbadano numerycznie przy użyciu dwóch różnych podejść. Pierwsze podejście zwane pełnym modelem 3D CFD stosowało metodę skończonych objętości (FVM) do rozwiązania uśrednionego równania Naviera-Stokesa zakładając model naprężeń Reynoldsa (BSL) w...
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BODIPY‐Perylene Charge Transfer Compounds; Sensitizers for Triplet‐Triplet Annihilation Up‐conversion
PublicationBODIPY heterochromophores, asymmetrically substituted with perylene and/or iodine at the 2 and 6 positions were prepared and investigated as sensitizers for triplet-triplet annihilation up conversion (TTA-UC). Single-crystal X-ray crystallographic analyses show that the torsion angle between BODIPY and perylene units lie between 73.54 and 74.51, though they are not orthogonal. Both compounds show intense, charge transfer absorption...
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Belarusian – Polish Border: The Politics of Cross-Border Migration
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Belarusian – Polish Border: The Diplomacy of Cross-Border Migration
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Vibroflotation Control of Sandy Soils using DMT and CPTU
PublicationVibroflotation is a typical improvement method for the cohesionless deposits of high thickness. The compaction method was applied to densify sandy deposits in Gdynia Port. Compaction control was verified with CPTU and DMT tests. Some examples of interpretation of soundings in pre-treated and compacted sands are shown. The classification diagrams are given for pre-treated and compacted sand. The stress history of the deposits is...
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Incomplete Cross-Bonding in the MV Line. Experience from the Operation of MV Single Cable Lines
PublicationCable lines are one of the basic components of power systems. Medium and high voltage cables mainly comprise a metallic sheath, which is concentric to the main core conductor. There are several operating schemes of such cable lines, which differ in the place of earthing of sheaths and the possible use of the sheaths and/or conductors crossing. The sheaths cross-bonding is typically done in two places of one cable line section,...
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Simulations of high-pressure fluid flow in a pre-cracked rock specimen composed of densely packed bonded spheres using a 3D CFD model and simplified 2D coupled CFD-DEM approach
PublicationW artykule zastosowano dwa różne podejścia do opisu jednofazowego przepływu płynu w wstępnie spękanej próbce skały o niskiej porowatości pod wysokim ciśnieniem. Głównym celem pracy było bezpośrednie porównanie rozkładu ciśnień, gęstości i prędkości płynów we wstępnie pękniętej próbce. Zachowanie próbki imitującej skałę zostało opisane przez gęsto upakowane połączone kohezją kulki z nakładającymi się na siebie elementami. Pierwsze...
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The K x-ray line structures of the 3d-transition metals in warm dense plasma
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K X-ray line energies as diagnostics of warm dense plasma
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