Electronic band structureIn solid-state physics, the electronic band structure (or simply band structure) of a solid describes the range of energy levels that electrons may have within it, as well as the ranges of energy that they may not have (called band gaps or forbidden bands). Band theory derives these bands and band gaps by examining the allowed quantum mechanical wave functions for an electron in a large, periodic lattice of atoms or molecules.
Finite difference methodIn numerical analysis, finite-difference methods (FDM) are a class of numerical techniques for solving differential equations by approximating derivatives with finite differences. Both the spatial domain and time interval (if applicable) are discretized, or broken into a finite number of steps, and the value of the solution at these discrete points is approximated by solving algebraic equations containing finite differences and values from nearby points.
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.
SolvationSolvation describes the interaction of a solvent with dissolved molecules. Both ionized and uncharged molecules interact strongly with a solvent, and the strength and nature of this interaction influence many properties of the solute, including solubility, reactivity, and color, as well as influencing the properties of the solvent such as its viscosity and density. If the attractive forces between the solvent and solute particles are greater than the attractive forces holding the solute particles together, the solvent particles pull the solute particles apart and surround them.
PressurePressure (symbol: p or P) is the force applied perpendicular to the surface of an object per unit area over which that force is distributed. Gauge pressure (also spelled gage pressure) is the pressure relative to the ambient pressure. Various units are used to express pressure. Some of these derive from a unit of force divided by a unit of area; the SI unit of pressure, the pascal (Pa), for example, is one newton per square metre (N/m2); similarly, the pound-force per square inch (psi, symbol lbf/in2) is the traditional unit of pressure in the imperial and US customary systems.
Quantum vortexIn physics, a quantum vortex represents a quantized flux circulation of some physical quantity. In most cases, quantum vortices are a type of topological defect exhibited in superfluids and superconductors. The existence of quantum vortices was first predicted by Lars Onsager in 1949 in connection with superfluid helium. Onsager reasoned that quantisation of vorticity is a direct consequence of the existence of a superfluid order parameter as a spatially continuous wavefunction.
Elastic modulusAn elastic modulus (also known as modulus of elasticity) is the unit of measurement of an object's or substance's resistance to being deformed elastically (i.e., non-permanently) when a stress is applied to it. The elastic modulus of an object is defined as the slope of its stress–strain curve in the elastic deformation region: A stiffer material will have a higher elastic modulus. An elastic modulus has the form: where stress is the force causing the deformation divided by the area to which the force is applied and strain is the ratio of the change in some parameter caused by the deformation to the original value of the parameter.
Chemical formulaIn chemistry, a chemical formula is a way of presenting information about the chemical proportions of atoms that constitute a particular chemical compound or molecule, using chemical element symbols, numbers, and sometimes also other symbols, such as parentheses, dashes, brackets, commas and plus (+) and minus (−) signs. These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a chemical name since it does not contain any words.
Macroscopic quantum phenomenaMacroscopic quantum phenomena are processes showing quantum behavior at the macroscopic scale, rather than at the atomic scale where quantum effects are prevalent. The best-known examples of macroscopic quantum phenomena are superfluidity and superconductivity; other examples include the quantum Hall effect and topological order. Since 2000 there has been extensive experimental work on quantum gases, particularly Bose–Einstein condensates. Between 1996 and 2016 six Nobel Prizes were given for work related to macroscopic quantum phenomena.
Finite element methodThe finite element method (FEM) is a popular method for numerically solving differential equations arising in engineering and mathematical modeling. Typical problem areas of interest include the traditional fields of structural analysis, heat transfer, fluid flow, mass transport, and electromagnetic potential. The FEM is a general numerical method for solving partial differential equations in two or three space variables (i.e., some boundary value problems).
