Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Carbon fibersCarbon fibers or carbon fibres (alternatively CF, graphite fiber or graphite fibre) are fibers about in diameter and composed mostly of carbon atoms. Carbon fibers have several advantages: high stiffness, high tensile strength, high strength to weight ratio, high chemical resistance, high-temperature tolerance, and low thermal expansion. These properties have made carbon fiber very popular in aerospace, civil engineering, military, motorsports, and other competition sports.
Kernel density estimationIn statistics, kernel density estimation (KDE) is the application of kernel smoothing for probability density estimation, i.e., a non-parametric method to estimate the probability density function of a random variable based on kernels as weights. KDE answers a fundamental data smoothing problem where inferences about the population are made, based on a finite data sample. In some fields such as signal processing and econometrics it is also termed the Parzen–Rosenblatt window method, after Emanuel Parzen and Murray Rosenblatt, who are usually credited with independently creating it in its current form.
Carbide-derived carbonCarbide-derived carbon (CDC), also known as tunable nanoporous carbon, is the common term for carbon materials derived from carbide precursors, such as binary (e.g. SiC, TiC), or ternary carbides, also known as MAX phases (e.g., Ti2AlC, Ti3SiC2). CDCs have also been derived from polymer-derived ceramics such as Si-O-C or Ti-C, and carbonitrides, such as Si-N-C. CDCs can occur in various structures, ranging from amorphous to crystalline carbon, from sp2- to sp3-bonded, and from highly porous to fully dense.
Current densityIn electromagnetism, current density is the amount of charge per unit time that flows through a unit area of a chosen cross section. The current density vector is defined as a vector whose magnitude is the electric current per cross-sectional area at a given point in space, its direction being that of the motion of the positive charges at this point. In SI base units, the electric current density is measured in amperes per square metre. Assume that A (SI unit: m2) is a small surface centred at a given point M and orthogonal to the motion of the charges at M.
DensityDensity (volumetric mass density or specific mass) is the substance's mass per unit of volume. The symbol most often used for density is ρ (the lower case Greek letter rho), although the Latin letter D can also be used. Mathematically, density is defined as mass divided by volume: where ρ is the density, m is the mass, and V is the volume. In some cases (for instance, in the United States oil and gas industry), density is loosely defined as its weight per unit volume, although this is scientifically inaccurate – this quantity is more specifically called specific weight.
Electron densityElectron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typically denoted as either or . The density is determined, through definition, by the normalised -electron wavefunction which itself depends upon variables ( spatial and spin coordinates). Conversely, the density determines the wave function modulo up to a phase factor, providing the formal foundation of density functional theory.
Composite materialA composite material (also called a composition material or shortened to composite, which is the common name) is a material which is produced from two or more constituent materials. These constituent materials have notably dissimilar chemical or physical properties and are merged to create a material with properties unlike the individual elements. Within the finished structure, the individual elements remain separate and distinct, distinguishing composites from mixtures and solid solutions.
Ocean currentAn ocean current is a continuous, directed movement of seawater generated by a number of forces acting upon the water, including wind, the Coriolis effect, breaking waves, cabbeling, and temperature and salinity differences. Depth contours, shoreline configurations, and interactions with other currents influence a current's direction and strength. Ocean currents are primarily horizontal water movements. An ocean current flows for great distances and together they create the global conveyor belt, which plays a dominant role in determining the climate of many of Earth's regions.
ElectrodeAn electrode is an electrical conductor used to make contact with a nonmetallic part of a circuit (e.g. a semiconductor, an electrolyte, a vacuum or air). Electrodes are essential parts of batteries that can consist of a variety of materials depending on the type of battery. The electrophore, invented by Johan Wilcke, was an early version of an electrode used to study static electricity. Electrodes are an essential part of any battery. The first electrochemical battery made was devised by Alessandro Volta and was aptly named the Voltaic cell.
Ceramic matrix compositeIn materials science, ceramic matrix composites (CMCs) are a subgroup of composite materials and a subgroup of ceramics. They consist of ceramic fibers embedded in a ceramic matrix. The fibers and the matrix both can consist of any ceramic material, whereby carbon and carbon fibers can also be regarded as a ceramic material. The motivation to develop CMCs was to overcome the problems associated with the conventional technical ceramics like alumina, silicon carbide, aluminum nitride, silicon nitride or zirconia – they fracture easily under mechanical or thermo-mechanical loads because of cracks initiated by small defects or scratches.
Energy densityIn physics, energy density is the amount of energy stored in a given system or region of space per unit volume. It is sometimes confused with energy per unit mass which is properly called specific energy or . Often only the useful or extractable energy is measured, which is to say that inaccessible energy (such as rest mass energy) is ignored. In cosmological and other general relativistic contexts, however, the energy densities considered are those that correspond to the elements of the stress-energy tensor and therefore do include mass energy as well as energy densities associated with pressure.
Multivariate kernel density estimationKernel density estimation is a nonparametric technique for density estimation i.e., estimation of probability density functions, which is one of the fundamental questions in statistics. It can be viewed as a generalisation of histogram density estimation with improved statistical properties. Apart from histograms, other types of density estimators include parametric, spline, wavelet and Fourier series. Kernel density estimators were first introduced in the scientific literature for univariate data in the 1950s and 1960s and subsequently have been widely adopted.
Memory segmentationMemory segmentation is an operating system memory management technique of dividing a computer's primary memory into segments or sections. In a computer system using segmentation, a reference to a memory location includes a value that identifies a segment and an offset (memory location) within that segment. Segments or sections are also used in s of compiled programs when they are linked together into a and when the image is loaded into memory.
Catalyst poisoningCatalyst poisoning is the partial or total deactivation of a catalyst by a chemical compound. Poisoning refers specifically to chemical deactivation, rather than other mechanisms of catalyst degradation such as thermal decomposition or physical damage. Although usually undesirable, poisoning may be helpful when it results in improved catalyst selectivity (e.g. Lindlar's catalyst). An important historic example was the poisoning of catalytic converters by leaded fuel.
Allotropes of carbonCarbon is capable of forming many allotropes (structurally different forms of the same element) due to its valency. Well-known forms of carbon include diamond and graphite. In recent decades, many more allotropes have been discovered and researched, including ball shapes such as buckminsterfullerene and sheets such as graphene. Larger-scale structures of carbon include nanotubes, nanobuds and nanoribbons. Other unusual forms of carbon exist at very high temperatures or extreme pressures.
Relative densityRelative density, or specific gravity, is the ratio of the density (mass of a unit volume) of a substance to the density of a given reference material. Specific gravity for liquids is nearly always measured with respect to water at its densest (at ); for gases, the reference is air at room temperature (). The term "relative density" (often abbreviated r.d. or RD) is often preferred in scientific usage, whereas the term "specific gravity" is deprecated.
Heterogeneous catalysisHeterogeneous catalysis is catalysis where the phase of catalysts differs from that of the reactants or products. The process contrasts with homogeneous catalysis where the reactants, products and catalyst exist in the same phase. Phase distinguishes between not only solid, liquid, and gas components, but also immiscible mixtures (e.g. oil and water), or anywhere an interface is present. Heterogeneous catalysis typically involves solid phase catalysts and gas phase reactants.
Medical imagingMedical imaging is the technique and process of imaging the interior of a body for clinical analysis and medical intervention, as well as visual representation of the function of some organs or tissues (physiology). Medical imaging seeks to reveal internal structures hidden by the skin and bones, as well as to diagnose and treat disease. Medical imaging also establishes a database of normal anatomy and physiology to make it possible to identify abnormalities.
Electric displacement fieldIn physics, the electric displacement field (denoted by D) or electric induction is a vector field that appears in Maxwell's equations. It accounts for the electromagnetic effects of polarization and that of an electric field, combining the two in an auxiliary field. It plays a major role in topics such as the capacitance of a material, as well the response of dielectrics to electric field, and how shapes can change due to electric fields in piezoelectricity or flexoelectricity as well as the creation of voltages and charge transfer due to elastic strains.
