Search results for " material"

showing 10 items of 17428 documents

Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory An Efficient Tool for Analyzing Plasmonic Excitations

2017

The real-time-propagation formulation of time-dependent density-functional theory (RT-TDDFT) is an efficient method for modeling the optical response of molecules and nanoparticles. Compared to the widely adopted linear-response TDDFT approaches based on, e.g., the Casida equations, RT-TDDFT appears, however, lacking efficient analysis methods. This applies in particular to a decomposition of the response in the basis of the underlying single-electron states. In this work, we overcome this limitation by developing an analysis method for obtaining the Kohn-Sham electron-hole decomposition in RT-TDDFT. We demonstrate the equivalence between the developed method and the Casida approach by a be…

plasmonic excitationsTheoretical computer scienceKohn-Sham decompositionComputer scienceta221Kohn–Sham equationsFOS: Physical sciencesPhysics::Optics02 engineering and technology01 natural sciencesPhysics - Chemical Physics0103 physical sciencesMesoscale and Nanoscale Physics (cond-mat.mes-hall)Decomposition (computer science)Physics::Atomic and Molecular ClustersStatistical physicsPhysical and Theoretical ChemistryPhysics::Chemical Physics010306 general physicsta116PlasmonEigenvalues and eigenvectorsChemical Physics (physics.chem-ph)Condensed Matter - Materials ScienceCondensed Matter - Mesoscale and Nanoscale Physicsta114tiheysfunktionaaliteoriaMaterials Science (cond-mat.mtrl-sci)Time-dependent density functional theory16. Peace & justice021001 nanoscience & nanotechnologyComputer Science ApplicationsplasmonitBenzene derivativesnanohiukkaset0210 nano-technologyJOURNAL OF CHEMICAL THEORY AND COMPUTATION
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Fracture and fatigue of titanium narrow dental implants: New trends in order to improve the mechanical response

2019

Sixty-four fractured commercially pure titanium (cp-Ti) narrow dental implants (NDIs) with similar macrogeometry and connection designs were studied after different implantation times in humans in order to determine their reliability and to evaluate the causes of the fracture. These NDIs were compared with other similar implants, made with alloyed titanium with 15% Zr and with 12% strained titanium. Original implants were tested under static and fatigue conditions, simulating the tri-axial loads in the mouth by means of a Bionix hydraulic test machine. Fractography was studied using field-emission scanning electron microscopy (FSEM). The results showed that cp-Ti NDI exhibits low strength f…

plastic deformationMaterials sciencePassivationScanning electron microscopenarrow dental implantsMaterials -- Fatiguechemistry.chemical_elementFractography616.3:Enginyeria biomèdica::Biomaterials [Àrees temàtiques de la UPC]02 engineering and technologyArticle03 medical and health sciencesMecànica de fractura0302 clinical medicineMachiningMaterials -- FatigaFracture mechanicsGeneral Materials SciencetitaniumComposite materialPlastic deformationFatigueNarrow dental implantsTitaniumCommercially pure titaniumImplantes dentalesImplants dentalsDental implantstechnology industry and agricultureMateriales -- Fatiga030206 dentistryDentistry -- MaterialsTitani021001 nanoscience & nanotechnologyequipment and suppliesFatigue limitFracturechemistryTitaniofractureFracture (geology)Odontologia -- Aparells i instrumentsfatigueOdontología -- Material y equipo0210 nano-technologyTitanium
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Toward Sustainable PLA-Based Multilayer Complexes with Improved Barrier Properties

2019

Poly(lactic acid) or PLA is currently considered as one of the most promising substitutes of conventional plastics, with low environmental impact, especially for food packaging applications. Nevertheless, some drawbacks, such as high permeability to oxygen, are still limiting its industrial applications. The objective of this study was to highly increase the oxygen barrier performance of PLA without compromising its sustainable nature and following the principles of circular economy perspective. Coproducts coming from mill industries, such as wheat gluten proteins (WG), were used to produce PLA-WG-PLA multilayer complexes with improved barrier performance. Different technologies of industri…

plastic materialCorona treatment[SDV]Life Sciences [q-bio]General Chemical EngineeringHot-pressingWheat glutenemballage alimentaire02 engineering and technologyHot pressing01 natural sciencesOXYGEN[SPI]Engineering Sciences [physics]CARBON-DIOXIDEchemistry.chemical_compoundSurface modificationWheat glutenPolylactic acidCoatingComputingMilieux_MISCELLANEOUSPOLY(LACTIC ACID)Spin coatingsustainable developmentplastiqueANTIMICROBIAL PROPERTIES021001 nanoscience & nanotechnologyFood packagingdéveloppement durableBiobased and biodegradable polymers0210 nano-technologyMaterials scienceWATER-VAPOR BARRIERGLASS-TRANSITIONPROTEIN ISOLATESpin coatingNanotechnologyengineering.materialFILMS010402 general chemistry12. Responsible consumptionPoly(lactic acid) PLAEnvironmental ChemistryEFFICIENT GASRenewable Energy Sustainability and the EnvironmentPOLYLACTIC ACIDHigh-pressure homogenizationCorona treatmentGeneral Chemistry0104 chemical scienceschemistryengineeringSurface modificationacide lactiqueACS Sustainable Chemistry & Engineering
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Characterization of thin plastic foils for applications in X-ray optics technology

2007

Thin plastic foils are being investigated to build shell optics for X-ray telescopes. Compared to polished glass optics, the advantage is in terms of increased collecting area, light weight and lower cost. Plastic material is also desirable to allow deformation into a complete surface of revolution. We collected plastic materials of common use for industrial applications and also specialty materials developed for the electronic industry. A comparative study was then performed to evaluate the optical quality of the selected plastic films. Surface analysis was carried out with topographic instruments to investigate the microroughness of our samples at different scan lengths. Preliminary resul…

plastic materialsMaterials sciencex-ray optics grazing incidencex-ray astronomy; x-ray optics grazing incidence; plastic materials; high-performance films; surface analysis; microroughnessbusiness.industryShell (structure)Plastic materialsX-ray opticsX-ray astronomy X-ray optics grazing incidence plastic materials high-performance films surface analysis microroughnessX-ray telescopeDeformation (meteorology)surface analysiseye diseasesx-ray astronomylaw.inventionCharacterization (materials science)Telescopehigh-performance filmsOpticsmicroroughnesslawSurface of revolutionbusiness
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Bis(hy­droxy­ammonium) hexa­chlorido­platinate(IV)–18-crown-6 (1/2)

2014

In the title complex, (NH3OH)2[PtCl6]·2C12H24O6, the PtIV atom is coordinated by six chloride anions in a slightly distorted octahedral geometry. The Pt—Cl bond lengths are comparable to those reported for other hexachloridoplatinate(IV) species. The hydroxyammonium groups act as linkers between the [PtCl6]2− anion and the crown ether molecules. The anion is linked to two hydroxyammonium cations via O—H...Cl hydrogen bonds and each hydroxyammonium moiety is linked to a crown ether molecule by hydrogen bonds between ammonium H atoms and 18-crown-6 O atoms. The crown ether molecules have the classic crown shape in which all O atoms are located in the inner part of the crown ether ring and all…

platinachemistry.chemical_classificationMetal-Organic PapersHydrogen bond18-Crown-6platiniumGeneral ChemistrykidetiedeCondensed Matter PhysicsHEXARing (chemistry)Medicinal chemistrykritsallografialcsh:ChemistryBond lengthchemistry.chemical_compoundlcsh:QD1-999chemistryMoietyGeneral Materials ScienceAmmoniumta116Crown etherActa Crystallographica Section E: Structure Reports Online
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Warunki materialnoprawne jurysdykcji krajowej wobec sprawcy podżegania za granicą do popełnienia przestępstwa skarbowego przeciwko obowiązkom podatko…

2021

Przedmiotem publikacji jest problematyka odpowiedzialności karnoskarbowej w Polsce za podżeganie za granicą do popełnienia przestępstwa skarbowego przeciwko obowiązkom podatkowym. W publikacji przedstawiono zakres znaczeniowy pojęcia „miejsce popełnienia przestępstwa skarbowego” i na tle wyników jego wykładni ukazano sytuacje, w których przestępstwo jest popełnione za granicą. Następnie zostały opisane warunki sine qua non pociągnięcia w Polsce podżegacza za czyn popełniony za granicą

podżeganie za granicą do popełnienia przestępstwa skarbowegoPrawo karne skarbowemiejsce popełnienia przestępstwa skarbowegoFiscal criminal lawincitement abroad to commit a fiscal offencewarunki materialnoprawne jurysdykcji krajowejplace of commission of a fiscal offencesubstantive conditions of national jurisdictionDoradztwo Podatkowe Biuletyn Instytutu Studiów Podatkowych
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Toward Quaternary QCA : Novel Majority and XOR Fuzzy Gates

2022

As an emerging nanotechnology, quantum-dot cellular automata (QCA) has been considered an alternative to CMOS technology that suffers from problems such as leakage current. Moreover, QCA is suitable for multi-valued logic due to the simplicity of implementing fuzzy logic in a way much easier than CMOS technology. In this paper, a quaternary cell is proposed with two isolated layers because of requiring three particles to design this quaternary cell. Moreover, due to the instability of the basic gates, the three particles cannot be placed in one layer. The first layer of the proposed two-layer cell includes a ternary cell and the second one includes a binary cell. It is assumed that the over…

polarizationquaternaryGeneral Computer SciencekvanttitietokoneetGeneral Engineeringquantum dotsnanotekniikkapotential wellkvanttilaskentaCMOS technologyquantum computinglitografia (mikrovalmistus)XOR fuzzy gatelogic gatesintegrated circuit modelinglithographyGeneral Materials Sciencemulti-valued QCAsumea logiikkamajority fuzzy gateQQCA
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New composite materials made up of nanofibers and hydrogel as biomimetic scaffolds for human pluripotent stem cell culture

2014

poliammidoammineelettrofilaturaidrogeliplasma non-termico a pressione atmosfericaacido poli(L-lattico)composite materials hydrogels plasma stem cells
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Polypropylene/polyhedral oligomeric silsesquioxane nanocomposites – study of free volumes, crystallinity degree and mass flow rate

2016

Nanokompozyty polipropylen/poliedryczne oligomeryczne silseskwioksany (PP/POSS) przygotowano metodą mieszania w stanie stopionym polimeru. Wpływ struktury oraz ilości zastosowanych nanonapełniaczy POSS na objętości swobodne w polipropylenie określono z zastosowaniem spektroskopii czasów życia pozytonów (PALS). Ustalono zależności pomiędzy parametrami PALS: czasem życia o-Ps (τ3) i natężeniem (I3) składowej o-Ps oraz wartościami stopnia krystaliczności (Xc ) i masowego wskaźnika szybkości płynięcia (MFR) badanych materiałów. Obecność nanonapełniaczy POSS wpłynęła na liczbę i rozmiary objętości swobodnych w polimerze, co spowodowało zmianę mikrostruktury osnowy polipropylenowej. Wraz ze zwięk…

poliedryczne oligomeryczne silseskwioksany (POSS)Materials sciencePolymers and PlasticsGeneral Chemical Engineering02 engineering and technology010402 general chemistry01 natural sciencesDegree (temperature)chemistry.chemical_compoundCrystallinitymass flow ratenanocompositesMaterials ChemistryMass flow rateComposite materialnanokompozytyPolypropyleneNanocompositepositron annihilation lifetime spectroscopy (PALS)masowy wskaźnik szybkości płynięciacrystallinity degreestopień krystaliczności021001 nanoscience & nanotechnologySilsesquioxane0104 chemical scienceschemistryspektroskopia czasów życia pozytonów (PALS)polipropylen0210 nano-technologypolypropylenepolyhedral oligomeric silsesquioxanes (POSS)Polimery
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Silseskwioksany i ich zastosowanie w syntezie materiałów polimerowych

2015

Artykuł stanowi przegląd literatury dotyczącej syntezy oraz charakterystyki materiałów polimerowych zawierających silseskwioksany (POSS). Przedstawiono metody otrzymywania hybrydowych materiałów polimerowych z udziałem funkcjonalizowanych POSS na drodze click chemistry, polikondensacji, poliaddycji, metatezy z otwarciem pierścienia ipolimeryzacji rodnikowej zarówno konwencjonalnej, jak i kontrolowanej (ATRP).

poliedryczne oligomeryczne silseskwioksany (POSS)ring opening metathesis polymerizationpolimeryzacja wolnorodnikowamateriały hybrydoweATRPpoliaddycjapolikondensacjametateza z otwarciem pierścieniaclick chemistryhybrid materialspolycondensationpolyadditionfree-radical polymerizationpolyhedral oligomeric silsesquioxane (POSS)Polimery
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