Search results for "interfaces"

showing 10 items of 1258 documents

Unravelling the GLY-PRO-GLU tripeptide induced reconstruction of the Au(110) surface at the molecular scale

2018

International audience; The adsorption of GLY-PRO-GLU tripeptide on Au(110) is investigated within the frame of all atom classical mechanics simulations and Density Functional Theory, focusing on the surface reconstruction. It is shown that the tripeptide adsorption reorganizes and restructures the Au(110) surface. A mechanism for the surface restructuration is proposed for both the neutral and zwitterionic form of the peptide at room temperature in Ultra High Vacuum. Diverse residues may be involved in the Au atoms displacement, and in particular glutamic acid, triggering a double proton transfer and the formation of a zwitter ionic state, is found to be responsible for the triggering of t…

ProtonIonic bonding02 engineering and technologyTripeptideMolecular dynamics010402 general chemistryDFT01 natural sciencesMolecular dynamicsAdsorptionAtomMaterials Chemistry[CHIM]Chemical Sciences[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]ChemistrySurfaces and Interfaces021001 nanoscience & nanotechnologyCondensed Matter Physics0104 chemical sciencesSurfaces Coatings and FilmsGold surfaceCrystallographyAmino acidsDensity functional theoryPeptides0210 nano-technologySurface reconstructionSurface Science
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Patterning of Magnetic Bimetallic Coordination Nanoparticles of Prussian Blue Derivatives by the Langmuir–Blodgett Technique

2012

We report a novel method to prepare patterns of nanoparticles over large areas of the substrate. This method is based on the adsorption of the negatively charged nanoparticles dispersed in an aqueous subphase onto a monolayer of the phospholipid dipalmitoyl-l-α-phosphatidylcholine (DPPC) at the air-water interface. It has been used to prepare patterns of nanoparticles of Prussian blue analogues (PBA) of different size (K(0.25)Ni[Fe(CN)(6)](0.75) (NiFe), K(0.25)Ni[Cr(CN)(6)](0.75) (NiCr), K(0.25)Ni[Co(CN)(6)](0.75) (NiCo), Cs(0.4)Co[Cr(CN)(6)](0.8) (CsCoCr), and Cs(0.4)Co[Fe(CN)(6)](0.9) (CsCoFe)). The behavior of DPPC monolayer at the air-water interface in the presence of the subphase of P…

Prussian blueAqueous solutionBrewster's angleMaterials scienceNanoparticle02 engineering and technologySurfaces and Interfaces010402 general chemistry021001 nanoscience & nanotechnologyCondensed Matter Physics01 natural sciencesLangmuir–Blodgett film0104 chemical sciencesCrystallographychemistry.chemical_compoundsymbols.namesakeAdsorptionchemistryMonolayerElectrochemistrysymbolsGeneral Materials Science0210 nano-technologyBimetallic stripSpectroscopyLangmuir
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Interactions of earthworms with Atrazine-degrading bacteria in an agricultural soil

2006

FR2116; In the last 10 years, accelerated mineralization of Atrazine (2-chloro-ethylamino-6-isopropylamino-s- triazine) has been evidenced in agricultural soils repeatedly treated with this herbicide. Here, we report on the interaction between earthworms, considered as soil engineers, and the Atrazine-degrading community. The impact of earthworm macrofauna on Atrazine mineralization was assessed in representative soil microsites of earthworm activities (gut contents, casts, burrow linings). Soil with or without earthworms, namely the anecic species Lumbricus terrestris and the endogenic species Aporrectodea caliginosa, was either inoculated or not inoculated with Pseudomonas sp. ADP, an Atr…

Pseudomonas sp. ADPatz genes[ SDU.ENVI ] Sciences of the Universe [physics]/Continental interfaces environmentAtrazinePseudomonas sp. ADP.earthworms[SDU.ENVI]Sciences of the Universe [physics]/Continental interfaces environmentbiodegradation[SDU.ENVI] Sciences of the Universe [physics]/Continental interfaces environment
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Study of localized pulsed laser depassivation by interferometric probe

1997

Optical interferometry has been implemented as a novel approach to monitor sensitively the localized pulsed laser depassivation of iron or stainless steel samples. This new method, complementing the previous transient current measurements and channel flow double-electrode, is based on the time-resolved measurement of the rear surface displacement of the test sample induced by the laser generated ultrasonic wave. The removal of any material, such as the passive film, from the irradiated surface results in an enhancement of the longitudinal component of the laser generated ultrasonic wave, which is manifested in a change of the displacement characteristics of the rear surface of the test samp…

Pulsed laserMaterials sciencebusiness.industryGeneral Physics and AstronomySurfaces and InterfacesGeneral ChemistrySurface displacementCondensed Matter PhysicsLaserDisplacement (vector)Surfaces Coatings and FilmsOpen-channel flowlaw.inventionInterferometryOpticslawUltrasonic sensorIrradiationbusinessApplied Surface Science
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Hypergestures in Complex Time: Creative Performance Between Symbolic and Physical Reality

2015

Musical performance and composition imply hypergestural transformation from symbolic to physical reality and vice versa. But most scores require movements at infinite physical speed that can only be performed approximately by trained musicians. To formally solve this divide between symbolic notation and physical realization, we introduce complex time (\(\mathbb {C}\)-time) in music. In this way, infinite physical speed is “absorbed” by a finite imaginary speed. Gestures thus comprise thought (in imaginary time) and physical realization (in real time) as a world-sheet motion in space-time, corresponding to ideas from physical string theory. Transformation from imaginary to real time gives us…

Pure mathematicsEuler-Lagrange equationSettore FIS/02 - Fisica Teorica Modelli E Metodi MatematiciSettore INF/01 - InformaticaInformationSystems_INFORMATIONINTERFACESANDPRESENTATION(e.g.HCI)Complex timeString theoryMeasure (mathematics)Imaginary timeTransformation (music)Motion (physics)AlgebraSettore MAT/02 - AlgebraComputingMethodologies_SYMBOLICANDALGEBRAICMANIPULATIONComplex time; Euler-lagrange equation; Hypergestures; Performance theory; String theory; World-sheets of space-timeString theoryWorld-sheets of space-timePerformance theoryHypergesturesRealization (systems)The ImaginaryGestureMathematics
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Monte Carlo simulation of block copolymers

2000

Monte Carlo simulations deal with crudely simplified but well-defined models and have the advantage that they treat the statistical thermodynamics of the considered model exactly (apart from statistical errors and problems due to finite size effects). Therefore, these simulations are well suited to test various approximate theories of block copolymer ordering, e.g. the self-consistent field theory. Recent examples of this approach include the study of block copolymer ordering at melt surfaces and confinement effects in thin films, adsorption of block copolymers at interfaces of unmixed homopolymer blends, the phase behavior of ternary mixtures of two homopolymers and their block copolymer, …

Quantitative Biology::BiomoleculesPolymers and PlasticsChemistryMonte Carlo methodSurfaces and InterfacesMicelleCondensed Matter::Soft Condensed MatterColloid and Surface ChemistryPhase (matter)CopolymerField theory (psychology)Self-assemblyStatistical physicsPhysical and Theoretical ChemistryTernary operationConfined space
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Phase diagram of a model adsorbate with internal quantum states

1992

Abstract An adsorbate in the strong binding and small corrugation limit is studied. The resulting two-dimensional fluid is treated in the adiabatic approximation: the translations of the heavy molecules are treated classically, whereas the molecular quantum degrees of freedom are modelled by interacting two state tunneling systems. The complete temperature/coverage phase diagram is obtained to a high degree of precision by a new combination of finite size scaling ideas with Path Integral Monte Carlo techniques. Even this simplified adsorbate model possesses a surprisingly complex phase diagram including first- and second-order transitions as well as tricritical and triple points. We identif…

Quantum phase transitionPhysicsCondensed matter physicsDegrees of freedom (physics and chemistry)Surfaces and InterfacesCondensed Matter PhysicsSurfaces Coatings and FilmsAdiabatic theoremQuantum statePhase (matter)Materials ChemistryPath integral Monte CarloQuantum tunnellingPhase diagramSurface Science
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Size Reduction of CdSe/ZnS Core−Shell Quantum Dots Photosensitized by Benzophenone: Where Does the Cd(0) Go?

2011

The size of core-shell CdSe/ZnS quantum dots can be decreased by using the combined action of an n,π* aromatic ketone and UVA light. Energy-dispersive X-ray spectroscopy as well as X-ray photoelectron spectroscopy techniques gave information on the photosensitization mechanism and the eventual destiny of Cd(2+) and Se(2-) core ions. Our data support the electron transfer from the BP ketyl radical to Cd(2+), leading to Cd(0) and H(+), as well as to the recovery of benzophenone. Elemental Cd remains on the core and, eventually, can be oxidized to CdO. In addition, Se(2-) counterions disperse inside the solution mainly attached to protonated amine ligands. The Se(2-) combines with H(+), leadin…

Quenching (fluorescence)ChemistryAnalytical chemistryNanoparticleSurfaces and InterfacesCondensed Matter PhysicsPhotochemistrychemistry.chemical_compoundElectron transferKetylX-ray photoelectron spectroscopyQuantum dotElectrochemistryBenzophenoneGeneral Materials ScienceSpectroscopySpectroscopyLangmuir
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Extrinsic Effects on the Optical Properties of Surface Color Defects Generated in Hexagonal Boron Nitride Nanosheets

2021

Hexagonal boron nitride (hBN) is a wide-band gap van der Waals material able to host light-emitting centers behaving as single photon sources. Here, we report the generation of color defects in hBN nanosheets dispersed on different kinds of substrates by thermal treatment processes. The optical properties of these defects have been studied using microspectroscopy techniques and far-field simulations of their light emission. Using these techniques, we have found that subsequent ozone treatments of the deposited hBN nanosheets improve the optical emission properties of created defects, as revealed by their zero-phonon linewidth narrowing and reduction of background emission. Microlocalized co…

QuenchingMaterials sciencePhotoluminescencecolor defectsbusiness.industryThermal treatmentSubstrate (electronics)Dielectric2D materialshexagonal boron nitride; 2D materials; color defects; photoluminescence;interfacessymbols.namesakesymbolsOptoelectronicsphotoluminescenceGeneral Materials ScienceLight emissionhexagonal boron nitridevan der Waals forcePhotonicsbusinessResearch Article
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A combined molecular dynamics and Monte Carlo study of the approach towards phase separation in colloid-polymer mixtures.

2011

A coarse-grained model for colloid-polymer mixtures is investigated where both colloids and polymer coils are represented as point-like particles interacting with spherically symmetric effective potentials. Colloid-colloid and colloid-polymer interactions are described by Weeks-Chandler-Andersen potentials, while the polymer-polymer interaction is very soft, of strength k(B)T/2 for maximum polymer-polymer overlap. This model can be efficiently simulated both by Monte Carlo and molecular dynamics methods, and its phase diagram closely resembles that of the well-known Asakura-Oosawa model. The static and dynamic properties of the model are presented for systems at critical colloid density, va…

RENORMALIZATIONPolymersMonte Carlo methodBiophysicsThermodynamicsSOFT MATTERMolecular Dynamics SimulationDiffusionColloidMolecular dynamicsFLUIDSCritical point (thermodynamics)PARTICLESGeneral Materials ScienceComputer SimulationColloidsAnisotropyPhase diagramchemistry.chemical_classificationQuantitative Biology::BiomoleculesModels StatisticalChemistryPhysicsPolymerCondensed Matter PhysicsCondensed Matter::Soft Condensed MatterShear rateKineticsSIMULATIONPERTURBATION-THEORYAnisotropyStress MechanicalPAIR POTENTIALSMonte Carlo MethodBEHAVIORINTERFACESAlgorithmsJournal of physics. Condensed matter : an Institute of Physics journal
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