Search results for "Thermodynamics"

showing 10 items of 2774 documents

Distribution and generation of traps in SiO2/Al2O3 gate stacks

2007

In this work we combine charge-pumping measurements with positive constant voltage stress to investigate trap generation in SiO2/ Al2O3 n-MOSFET. Trap density has been scanned either in energy or in position based on charge-pumping (CP) measurements performed under different operating conditions in terms of amplitude and frequency of the gate pulse. Our results have revealed that the traps are meanly localized shallow in energy level, deeper in spatial position and they are mostly generated near the Si/SiO2 interface. (C) 2007 Elsevier Ltd. All rights reserved.

interface trapsWork (thermodynamics)Materials sciencecharge pumping (CP)Settore ING-INF/01 - ElettronicaTrap (computing)Stress (mechanics)Position (vector)Electrical and Electronic EngineeringSafety Risk Reliability and QualityBulk trapsbusiness.industryElectrical engineeringCondensed Matter PhysicsAtomic and Molecular Physics and OpticsSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsPulse (physics)AmplitudeDistribution (mathematics)Control and Systems Engineeringenergy distributionAtomic physicsbusinesshigh-k dielectricsEnergy (signal processing)
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Yielding of a quartz sand from saturated to dry state

2020

The paper presents the results of an experimental work where we analyse the behaviour of an unsaturated quartz sand in a wide range of degree of saturation (from saturated to dry state). The possibility of anticipating the hydro-mechanical behaviour of the soils when they approach the dry state is fundamental in many areas. An extensive experimental program, including controlled-suction and constant water content oedometric tests, was carried out to deeply analyse the water retention behaviour and the relationship between the yield stress and suction (Loading-Collapse curve). All elasto-plastic models provide a monotonically increase of the yield stress with suction. This assumption implies…

lcsh:GE1-350021110 strategic defence & security studiesWork (thermodynamics)Materials scienceSuctionSettore ICAR/07 - GeotecnicabehaviorDegree of saturation0211 other engineering and technologies02 engineering and technologyGranular materialcompressionWater retentionYielding model unsaturated soilSoil watermedicineGeotechnical engineeringmedicine.symptomQuartzWater contentlcsh:Environmental sciences021101 geological & geomatics engineering
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A physical model for the interaction between unsaturated soils and retaining structures

2020

Temporary and permanent retaining structures interact with soils that are usually in unsaturated conditions. In this work, a 1g-scale physical model is presented to investigate the interactions between retaining walls and unsaturated soils. The physical model is equipped with a water-filled hydraulic cylinder connected to a pressure-volume controller to measure the horizontal component of the later earth thrust and high capacity tensiometers to measure soil matric suction. A system of low-friction linear guideways has been installed at the base of the wall-model. The failure surface is observed through a 3 cm thick glass wall on one side of the container. A series of images are acquired dur…

lcsh:GE1-350021110 strategic defence & security studiesWork (thermodynamics)SuctionCylinder (containers)Velocity measurementGuideways0211 other engineering and technologiesBase (geometry)Thrust02 engineering and technologyFailure (mechanical)Hydraulic cylinderParticle image velocimetrySoil waterDisplacement fieldSoilsGeotechnical engineeringlcsh:Environmental sciencesGeology021101 geological & geomatics engineeringE3S Web of Conferences
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Quantitative Prediction of the Landscape of T Cell Epitope Immunogenicity in Sequence Space

2019

Immunodominant T cell epitopes preferentially targeted in multiple individuals are the critical element of successful vaccines and targeted immunotherapies. However, the underlying principles of this "convergence" of adaptive immunity among different individuals remain poorly understood. To quantitatively describe epitope immunogenicity, here we propose a supervised machine learning framework generating probabilistic estimates of immunogenicity, termed "immunogenicity scores," based on the numerical features computed through sequence-based simulation approximating the molecular scanning process of peptides presented onto major histocompatibility complex (MHC) by the human T cell receptor (T…

lcsh:Immunologic diseases. AllergyT cellT-LymphocytesImmunologyReceptors Antigen T-CellDatasets as TopicEpitopes T-Lymphocytechemical and pharmacologic phenomenaComputational biologyBiologyAdaptive ImmunityimmunogenicityMajor histocompatibility complexEpitopeMajor Histocompatibility ComplexmedicineImmunology and AllergyHumansComputer SimulationAntigen PresentationImmunodominant EpitopesRepertoireImmunogenicityT-cell receptorComputational BiologyAcquired immune systemmedicine.anatomical_structuremachine learningescape mutationbiology.proteinThermodynamicsT cell receptor repertoireSequence space (evolution)lcsh:RC581-607T cell epitopeFrontiers in Immunology
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Erratum: Mangas-Sanjuán, V.; et al. Assessment of the Inter-Batch Variability of Microstructure Parameters in Topical Semisolids and Impact on the De…

2020

Demonstration of similar microstructure is essential for demonstrating the equivalence of generic topical products since the microstructure of semisolids may affect the drug release. The objective of this study was to compare the microstructure-defining physical parameters of different batches of a reference ointment containing calcipotriol and betamethasone (Daivobet 50 µg/0.5 mg/g) in order to define the acceptance range that allows concluding equivalence between these batches. Being batches of the same reference product, they are expected to be clinically equivalent and possess similar microstructure. The 90% confidence intervals for the test/reference ratio of these physical parameters …

lcsh:Pharmacy and materia medican/aPublished ErratumPharmaceutical ScienceThermodynamicsPharmaceuticslcsh:RS1-441ErratumMicrostructureEquivalence (measure theory)MathematicsPharmaceutics
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Volume Changes in Filled Rubber Under Uniaxial Cyclic Loading

2011

Styrene-butadiene rubber, neat and filled with different silica content was investigated under uniaxial cyclic loading under a constant crosshead speed, with increasing deformation amplitude in subsequent loading cycles. Rubber was investigated in order to evaluate the reversibility of structure rearrangements, occurring in rubber when subjected to cyclic loading. Volume uniformly increases with growing strain and shows hysteresis at unloading. After complete unloading, no residual strain changes are observed. These data are in good conformity with the data of density measurements, which were made on specimens before and after the tests. By correlating data, obtained from volume changes and…

lcsh:TN1-997Materials sciencetechnology industry and agriculturerubbervolume changescomplex mixturesbody regionsHysteresisNatural rubberVolume (thermodynamics)BreakageDeformation mechanismvisual_artvisual_art.visual_art_mediumGeneral Materials ScienceSlippageDeformation (engineering)Composite materialcyclic loadinglcsh:Mining engineering. MetallurgyShrinkageMedžiagotyra
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Dynamics of supercooled confined water measured by deep inelastic neutron scattering

2017

In this paper, we present the results of deep inelastic neutron scattering (DINS) measurements on supercooled water confined within the pores (average pore diameter ~ 20 Å) of a disordered hydrophilic silica matrix obtained through hydrolysis and polycondensation of the alkoxide precursor Tetra-Methyl-Ortho-Silicate via the sol-gel method. Experiments were performed at two temperatures (250 K and 210 K, i.e., before and after the putative liquid–liquid transition of supercooled confined water) on a “wet” sample with hydration h ~ 40% w/w, which is high enough to have water-filled pores but low enough to avoid water crystallization. A virtually “dry” sample at h ~ 7% was also inve…

liquid-liquid transitionMaterials sciencePhysics and Astronomy (miscellaneous)HydrogenThermodynamicschemistry.chemical_element02 engineering and technologyNeutron scatteringKinetic energy01 natural sciencesInelastic neutron scatteringMomentumchemistry.chemical_compoundsilica xerogelconfined water0103 physical sciences010306 general physicsSupercoolingliquid–liquid transitionSettore FIS/07021001 nanoscience & nanotechnologyconfined water; hydrogen mean kinetic energy; liquid–liquid transition; silica xerogel; Physics and Astronomy (miscellaneous)Settore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)chemistryhydrogen mean kinetic energyAlkoxideWater of crystallization0210 nano-technology
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Experimental evidence for a liquid-liquid crossover in deeply cooled confined water.

2014

International audience; In this work we investigate, by means of elastic neutron scattering, the pressure dependence of mean square displacements (MSD) of hydrogen atoms of deeply cooled water confined in the pores of a three-dimensional disordered SiO 2 xerogel; experiments have been performed at 250 and 210 K from atmospheric pressure to 1200 bar. The " pressure anomaly " of supercooled water (i.e., a mean square displacement increase with increasing pressure) is observed in our sample at both temperatures; however, contrary to previous simulation results and to the experimental trend observed in bulk water, the pressure effect is smaller at lower (210 K) than at higher (250 K) temperatur…

liquid-liquid transitionPhase transitionPACS: 64.70.Ja 64.70.pm 25.40.DnMaterials scienceNeutron diffractionGeneral Physics and AstronomyThermodynamicsNeutron scatteringSettore FIS/03 - Fisica Della MateriaPhase TransitionNuclear magnetic resonanceWater Movementsglass transitionElastic neutron scattering[PHYS.COND]Physics [physics]/Condensed Matter [cond-mat]SupercoolingElastic neutron scattering; calorimetry; glass transition; liquid-liquid transitionAtmospheric pressure[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]Calorimetry Differential ScanningWaterSilicon DioxideSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Cold Temperature[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Biomolecules [q-bio.BM]Neutron DiffractionModels ChemicalGlass transitioncalorimetryHydrophobic and Hydrophilic InteractionsAmbient pressureBar (unit)HydrogenPhysical review letters
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The boson peak of deeply cooled confined water reveals the existence of a low-temperature liquid-liquid crossover.

2014

International audience; The Boson peak of deeply cooled water confined in the pores of a silica xerogel is studied by inelastic neutron scattering at different hydration levels to separate the contributions from matrix, water on the pore surfaces and "internal" water. Our results reveal that at high hydration level, where the contribution from internal water is dominant, the temperature dependence of the Boson peak intensity shows an inflection point at about 225 K. The complementary use of differential scanning calorimetry to describe the thermodynamics of the system allows identifying the inflection point as the signature of a water liquid-liquid crossover.

liquid-liquid transition[SDV.BBM.BS] Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]CrossovereducationGeneral Physics and Astronomyinelastic neutron scatteringInelastic neutron scatteringSettore FIS/03 - Fisica Della MateriaMatrix (geology)Differential scanning calorimetryPhysical and Theoretical ChemistryPhysics::Atmospheric and Oceanic PhysicsCondensed matter physicsCalorimetry Differential Scanning[SDV.BBM.BS]Life Sciences [q-bio]/Biochemistry Molecular Biology/Structural Biology [q-bio.BM]ChemistrySolvationwater anomalieWaterSilicon DioxideSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)Cold Temperaturewater anomalies; differential scanning calorimetry; inelastic neutron scattering; liquid-liquid transitionInflection pointChemical physicsThermodynamicsBoson peakdifferential scanning calorimetryGelsPorosityIntensity (heat transfer)
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Machine Learning for Predicting Chemical Potentials of Multifunctional Organic Compounds in Atmospherically Relevant Solutions

2022

We have trained the Extreme Minimum Learning Machine (EMLM) machine learning model to predict chemical potentials of individual conformers of multifunctional organic compounds containing carbon, hydrogen, and oxygen. The model is able to predict chemical potentials of molecules that are in the size range of the training data with a root-mean-square error (RMSE) of 0.5 kcal/mol. There is also a linear correlation between calculated and predicted chemical potentials of molecules that are larger than those included in the training set. Finding the lowest chemical potential conformers is useful in condensed phase thermodynamic property calculations, in order to reduce the number of computationa…

lämpökemiatiheysfunktionaaliteoriapotentiaalienergialaskennallinen kemiaCarbonilmakemiaMachine LearningOxygenkoneoppiminentermodynamiikkaThermodynamicsGeneral Materials ScienceOrganic ChemicalsPhysical and Theoretical Chemistryorgaaniset yhdisteetHydrogenThe Journal of Physical Chemistry Letters
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