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The properties of atmospheric particles - often also termed aerosol - have been the subject of scientific studies for several decades because of their effects on air quality, health, visibility, propagation of electromagnetic radiation in the atmosphere, and climate. However, despite intense research efforts, several knowledge gaps remain to be filled; the reason being related also to the complexity of the physical and chemical characteristics of these particles and of their dynamic interactions with the surrounding environment. One of the frontier topics in this scientific endeavor is the subject of this special issue: the morphology and mixing of atmospheric aerosol at the single particle level.
Aerosol --- Mixing State --- Morphology --- Black Carbon --- Soot --- Lifecycle --- Optical Properties --- Cloud Condensation Nuclei --- Ice Nucleating Particle --- Radiative Forcing
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Atomistic simulations, based on ab-initio and semi-empirical approaches, are nowadays widespread in many areas of physics, chemistry and, more recently, biology. Improved algorithms and increased computational power widened the areas of application of these computational methods to extended materials of technological interest, in particular allowing unprecedented access to the first-principles investigation of their electronic, optical, thermodynamical and mechanical properties, even where experiments are not available. However, for a big impact on the society, this rapidly growing field of computational approaches to materials science has to face the unfavourable scaling with the system size, and to beat the time-scale bottleneck. Indeed, many phenomena, such as crystal growth or protein folding for example, occur in a space/time scale which is normally out of reach of present simulations. Multi-scale approaches try to combine different scale algorithms along with matching procedures in order to bridge the gap between first-principles and continuum-level simulations. This Research Topic aims at the description of recent advances and applications in these two emerging fields of ab-inito and multi-scale materials modelling for both ground and excited states. A variety of theoretical and computational techniques are included along with the application of these methods to systems at increasing level of complexity, from nano to micro. Crossing the borders between several computational, theoretical and experimental techniques, this Research Topic aims to be of interest to a broad community, including experimental and theoretical physicists, chemists and engineers interested in materials research in a broad sense.
Multiscale and Hierarchical modeling --- ab-initio --- Density-functional --- Classical and Quantum Monte Carlo methods --- molecular dynamics simulations --- Carbon-based systems --- mechanical --- Electronic and optical properties of solids --- materials growth --- Materials characterization --- macromolecular complex
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Ocean optics is a branch of oceanography which is firmly embedded in studies of a great variety of ocean science and engineering questions. The interactive nature between radiative transfer of light and various dissolved and particulate constituents of seawater is at the core of ocean optics science and applications. The transfer of radiant solar energy has vital implications to life and climate on Earth, and the large variety of subjects of ocean optics ranges from the subtle problems of physical optics to optical remote sensing towards a better understanding of ocean biology, biogeochemistry and ecosystems and their roles in the Earth's system processes. The intention of this book is to present a collection of papers that generally share a common denominator of frontier topics in ocean optics which are unique, uncommon or outstanding in the literature, and to provide a balanced view of the extraordinary breadth of research in this field. Topics as diverse as measurements and modeling of radiative transfer, light fields, light scattering and polarization, ocean color, benthic optical properties, and the use of optics for characterizing seawater constituents are addressed in this book. The book is expected to be of interest and useful to a broad audience of professional ocean scientists, engineers and advanced students with an interest in ocean optics and applications of optical methods in oceanography.
forward modeling --- suspended matter --- marine particles --- fractal structure --- organic carbon --- chlorophyll-a --- oceanic light field --- irradiance quartet --- apparent optical properties --- inelastic processes --- Gershun equation --- ocean euphotic zone --- phytoplankton pigments --- ocean color --- remote sensing --- MERIS --- global oceans --- light scattering --- light scattering by pure water --- light scattering by pure seawater --- anomalous properties of water --- remote-sensing reflectance --- bathymetry --- hyperspectral --- bottom mapping --- radiative transfer --- apparent optical properties --- 3D Monte Carlo numerical simulations --- downward irradiance --- upward radiance --- sea ice heterogeneity --- vertical attenuation coefficient --- melt ponds --- remote sensing --- coral reef --- sensor noise --- retrieval uncertainty --- particle dynamics --- optical properties --- suspended sediment --- phytoplankton --- PFT --- ocean colour --- satellite radiometry --- radiative transfer --- optical modelling --- vector radiative transfer --- polarization --- coupled systems --- atmosphere --- ocean --- forward modeling --- inverse problems --- marine optics --- inherent optical properties --- volume scattering function --- degree of linear polarization --- marine particles --- light scattering measurements --- LISST-VSF instrument --- ocean optics --- ocean color --- remote sensing --- radiative transfer approximation --- volume scattering function --- NASA PACE mission --- polarization --- ocean optics --- upwelling radiance distribution --- remote sensing --- remote sensing --- hyperspectral --- shallow water --- coral --- derivative --- radiative transfer --- canopy --- ocean color database --- oceanic carbon --- chromophoric dissolved organic matter --- dissolved organic carbon --- CDOM spectral slope --- ocean color remote sensing --- algorithm development --- ocean color algorithm validation --- ocean optics --- CDOM climatology --- CDOM and ENSO --- machine learning --- ocean optics --- backscattering ratio --- phytoplankton --- coated-sphere model --- bulk refractive index --- seawater component --- natural organic matter --- DOM --- FDOM --- CDOM --- Gelbstoff --- EEMS --- PARAFAC --- marine sensors --- Kallemeter --- FerryBox --- Trondheimsfjord --- Norway --- ocean optics --- light scattering --- Mueller matrix --- volume and surface integral methods
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This book compiles selected papers from the Proceedings of the 1st International Online Conference on Nanomaterials, held 1–15 September, 2018 on sciforum.net, an online platform for hosting scholarly e-conferences and discussion groups. It targets a broad readership of physicists, chemists, materials scientists, biologists, environmentalists, and nanotechnologists, and provides interesting examples of the most recent advances in the synthesis, characterization, and applications of nanomaterials.
graphene oxide --- functionalization --- hexamethylene diisocyanate --- dispersion --- functionalization degree --- morphology --- hydrophobicity --- thermal stability --- hydrogel nanocomposites --- elastic modulus --- rotational rheology --- pseudo-crosslinking --- co-culture intestinal model --- Caco-2 --- HT29-MTX --- nanoparticle transport --- quantum dots --- iron oxide nanoparticles --- carbon nanodots --- hybrid polymer composites --- FTIR study --- XRD study --- optical properties --- optical sensing --- humidity --- Bragg stacks --- branched polymers --- n/a
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The term “first-principles calculations” is a synonym for the numerical determination of the electronic structure of atoms, molecules, clusters, or materials from ‘first principles’, i.e., without any approximations to the underlying quantum-mechanical equations. Although numerous approximate approaches have been developed for small molecular systems since the late 1920s, it was not until the advent of the density functional theory (DFT) in the 1960s that accurate “first-principles” calculations could be conducted for crystalline materials. The rapid development of this method over the past two decades allowed it to evolve from an explanatory to a truly predictive tool. Yet, challenges remain: complex chemical compositions, variable external conditions (such as pressure), defects, or properties that rely on collective excitations—all represent computational and/or methodological bottlenecks. This Special Issue comprises a collection of papers that use DFT to tackle some of these challenges and thus highlight what can (and cannot yet) be achieved using first-principles calculations of crystals.
point defects --- formation energy --- indium arsenide --- first-principles --- charged defects --- Ir-based intermetallics --- refractory metals --- elastic properties --- ab initio calculations --- density functional theory --- van der Waals corrections --- semihard materials --- molecular crystals --- electronic properties --- optical properties --- thermoelectricity --- semiconductors --- electrical engineering --- silver --- chlorine --- learning algorithms --- crystal structure --- magnetic properties --- structure prediction --- magnetic materials --- genetic algorithm --- global optimisation --- ab initio --- DFT --- structural fingerprint --- magnetic Lennard–Jones --- Heusler alloy --- half-Heusler alloy --- high-pressure --- crystal structure prediction --- electronic structure --- battery materials --- superconductivity --- n/a
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This Open Access volume aims to methodologically improve our understanding of biodiversity by linking disciplines that incorporate remote sensing, and uniting data and perspectives in the fields of biology, landscape ecology, and geography. The book provides a framework for how biodiversity can be detected and evaluated—focusing particularly on plants—using proximal and remotely sensed hyperspectral data and other tools such as LiDAR. The volume, whose chapters bring together a large cross-section of the biodiversity community engaged in these methods, attempts to establish a common language across disciplines for understanding and implementing remote sensing of biodiversity across scales. The first part of the book offers a potential basis for remote detection of biodiversity. An overview of the nature of biodiversity is described, along with ways for determining traits of plant biodiversity through spectral analyses across spatial scales and linking spectral data to the tree of life. The second part details what can be detected spectrally and remotely. Specific instrumentation and technologies are described, as well as the technical challenges of detection and data synthesis, collection and processing. The third part discusses spatial resolution and integration across scales and ends with a vision for developing a global biodiversity monitoring system. Topics include spectral and functional variation across habitats and biomes, biodiversity variables for global scale assessment, and the prospects and pitfalls in remote sensing of biodiversity at the global scale.
Biodiversity --- Remote Sensing/Photogrammetry --- Plant Sciences --- Ecosystems --- Plant Ecology --- Monitoring/Environmental Analysis --- Plant Science --- Environmental Monitoring --- Remote detection of biodiversity --- Retrieving functional traits from spectra --- Community assembly --- Spectral diversity --- Leaf optical properties --- Hyperspectral field data collection and processing --- Spatial resolution and integration across scales --- Micro and macroscopic structure of leaves --- Detection of disease and decline in forests --- Ocean and aquatic biodiversity --- Open Access --- Geographical information systems & remote sensing --- Botany & plant sciences --- Ecological science, the Biosphere --- Environmental monitoring
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As we all know, electrons carry both charge and spin. The processing of information in conventional electronic devices is based only on the charge of electrons. Spin electronics, or spintronics, uses the spin of electrons, as well as their charge, to process information. Metals, semiconductors, and insulators are the basic materials that constitute the components of electronic devices, and these types of materials have been transforming all aspects of society for over a century. In contrast, magnetic metals, half-metals (including zero-gap half-metals), magnetic semiconductors (including spin-gapless semiconductors), dilute magnetic semiconductors, and magnetic insulators are the materials that will form the basis for spintronic devices. This book aims to collect a range of papers on novel materials that have intriguing physical properties and numerous potential practical applications in spintronics.
Heusler alloy --- spin gapless semiconductor --- electronic structure --- spin transport --- quaternary Heusler compound --- first-principle calculations --- physical nature --- electronic property --- magnetism --- bulk CrSi2 --- monolayer CrSi2 --- first-principle --- Heusler alloy --- electronic structure --- magnetism --- doping --- Heusler alloy --- interface structure --- magnetism --- spin polarization --- first-principles method --- half-metallicity --- equiatomic quaternary Heusler compounds --- Nb (100) surface --- Mo doping --- H adsorption --- H diffusion --- first-principles calculation --- quaternary Heusler alloy --- doping --- spin polarization --- half-metallicity --- magnetism --- skyrmion --- Dzyaloshinskii–Moriya interaction --- exchange energy --- magnetic anisotropy --- half-metallic materials --- first-principles calculations --- quaternary Heusler compound --- phase stability --- magnetic properties --- covalent hybridization --- MgBi2O6 --- optical properties --- mechanical anisotropy --- lattice dynamics --- first-principles calculations --- half-metallic material --- first principles --- Prussian blue analogue --- pressure --- n/a
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Volcanoes release plumes of gas and ash to the atmosphere during episodes of passive and explosive behavior. These ejecta have important implications for the chemistry and composition of the troposphere and stratosphere, with the capacity to alter Earth's radiation budget and climate system over a range of temporal and spatial scales. Volcanogenic sulphur dioxide reacts to form sulphate aerosols, which increase global albedo, e.g., by reducing surface temperatures, in addition to perturbing the formation processes and optical properties of clouds. Released halogen species can also deplete stratospheric and tropospheric ozone. Volcanic degassing, furthermore, played a key role in the formation of Earth’s atmosphere, and volcanic plumes can affect air quality, pose hazards to aviation and human health, as well as damage ecosystems. The chemical compositions and emission rates of volcanic plumes are also monitored via a range of direct-sampling and remote-sensing instrumentation, in order to gain insights into subterranean processes, in the respect of the magmatic bodies these volatiles exsolve from. Given the significant role these gases play in driving volcanic activity, e.g., via pressurisation, the study of volcanic plumes is proving to be an increasingly fruitful means of improving our understanding of volcanic systems, potentially in concert with observations from geophysics and contributions from fluid dynamical modelling of conduit dynamics.
volcanic plumes --- volcanic CO2 flux --- remote sensing --- Differential Absorption Lidar (DIAL) --- nonlinear spectral unmixing --- nonlinear PCA --- volcanic plumes --- hyperspectral remote sensing --- ultraviolet cameras --- volcanic plumes --- interdisciplinary volcanology --- satellite remote sensing --- volcanic emissions --- SO2 --- SSA --- radiative transfer --- volcanic gases --- SO2 --- remote sensing --- UV cameras --- image processing --- analysis software --- Python 2.7 --- Holuhraun --- Bárðarbunga --- gas --- SO2 --- cloud height --- eruption monitoring --- fissure eruption --- radioactive disequilibria 210Pb-210Bi-210Po --- volcanic gases --- degassing processes --- geochemical modelling --- Mount Etna --- volcanic aerosols --- portable photometry --- aerosol optical properties --- strombolian --- puffing --- Taylor bubble --- gas slug --- spherical-cap bubble --- basaltic volcanism --- volcanology --- gases --- remote sensing --- BrO --- reactive halogen --- O3 --- atmospheric chemistry --- plume --- n/a --- Etna volcano --- 2011–2015 Etna lava fountains --- remote sensing --- SEVIRI data --- eruption start and duration --- volcanic plume top height --- time averaged discharge rate --- volcanic plumes --- volcanic gases --- volcanic geochemistry --- atmospheric remote sensing --- radiative forcing --- atmospheric chemistry --- volcanic sulfate aerosols --- oxygen and sulfur multi-isotopes --- atmospheric chemistry
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Sol–gel technology is a contemporary advancement in science that requires taking a multidisciplinary approach with regard to its various applications. This book highlights some applications of the sol–gel technology, including protective coatings, catalysts, piezoelectric devices, wave guides, lenses, high-strength ceramics, superconductors, synthesis of nanoparticles, and insulating materials. In particular, for biotechnological applications, biomolecules or the incorporation of bioactive substances into the sol–gel matrix has been extensively studied and has been a challenge for many researchers. Some sol–gel materials are widely applied in light-emitting diodes, solar cells, sensing, catalysis, integration in photovoltaic devices, and more recently in biosensing, bioimaging, or medical diagnosis; others can be considered excellent drug delivery systems. The goal of an ideal drug delivery system is the prompt delivery of a therapeutic amount of the drug to the proper site in the body, where the desired drug concentration can be maintained. The interactions between drugs and the sol–gel system can affect the release rate. In conclusion, the sol–gel synthesis method offers mixing at the molecular level and is able to improve the chemical homogeneity of the resulting composite. This opens new doors not only regarding
sol-gel method --- Fourier transform infrared spectroscopy (FTIR) analysis --- bioactivity --- biocompatibility --- sol–gel method --- organic-inorganic hybrids --- chlorogenic acid --- cytotoxicity --- biocompatibility --- silsesquioxanes --- thiol-ene click reaction --- in situ water production --- hydrophobic coatings --- cotton fabric --- paper --- NMR --- wettability --- sol-gel --- hollow sphere --- 1D structure --- sol-gel --- thin-disk laser --- Yb-doped glasses --- aluminosilicate glasses --- photoluminescence --- ultrasonic spray deposition --- tungsten oxide --- lithium lanthanum titanium oxide --- conformal coating --- Li-ion batteries --- sol-gel technique --- biomaterials --- cell proliferation --- cell cycle --- one transistor and one resistor (1T1R) --- organic thin-film transistor (OTFT) --- resistive random access memory (RRAM) --- sol-gel --- lithium-ion battery --- LiMnxFe(1?x)PO4 --- carbon coating --- pseudo-diffusion coefficient --- potential step voltammetry --- electrochemical impedance spectroscopy --- sol-gel --- oxyfluoride glass-ceramics --- nanocrystal --- optical properties --- sol-gel method --- SiO2–based hybrids --- poly(?-caprolactone) --- TG-DSC --- TG-FTIR --- X-ray diffraction analysis --- computer-aided design (CAD) --- mechanical analysis --- finite element analysis (FEA) --- composites --- organic–inorganic hybrid materials --- biomedical applications --- metal oxides --- multi-layer --- surface plasmon resonance --- optical sensors --- computer-aided design (CAD) --- mechanical analysis --- finite element analysis (FEA) --- composites --- hybrid materials --- biomedical applications
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