Large eddy simulationLarge eddy simulation (LES) is a mathematical model for turbulence used in computational fluid dynamics. It was initially proposed in 1963 by Joseph Smagorinsky to simulate atmospheric air currents, and first explored by Deardorff (1970). LES is currently applied in a wide variety of engineering applications, including combustion, acoustics, and simulations of the atmospheric boundary layer. The simulation of turbulent flows by numerically solving the Navier–Stokes equations requires resolving a very wide range of time and length scales, all of which affect the flow field.
Lindemann mechanismIn chemical kinetics, the Lindemann mechanism (also called the Lindemann–Christiansen mechanism or the Lindemann–Hinshelwood mechanism) is a schematic reaction mechanism for unimolecular reactions. Frederick Lindemann and J. A. Christiansen proposed the concept almost simultaneously in 1921, and Cyril Hinshelwood developed it to take into account the energy distributed among vibrational degrees of freedom for some reaction steps. It breaks down an apparently unimolecular reaction into two elementary steps, with a rate constant for each elementary step.
ViscosityThe viscosity of a fluid is a measure of its resistance to deformation at a given rate. For liquids, it corresponds to the informal concept of "thickness": for example, syrup has a higher viscosity than water. Viscosity is defined scientifically as a force multiplied by a time divided by an area. Thus its SI units are newton-seconds per square metre, or pascal-seconds. Viscosity quantifies the internal frictional force between adjacent layers of fluid that are in relative motion.
Reaction mechanismIn chemistry, a reaction mechanism is the step by step sequence of elementary reactions by which overall chemical reaction occurs. A chemical mechanism is a theoretical conjecture that tries to describe in detail what takes place at each stage of an overall chemical reaction. The detailed steps of a reaction are not observable in most cases. The conjectured mechanism is chosen because it is thermodynamically feasible and has experimental support in isolated intermediates (see next section) or other quantitative and qualitative characteristics of the reaction.
Global optimizationGlobal optimization is a branch of applied mathematics and numerical analysis that attempts to find the global minima or maxima of a function or a set of functions on a given set. It is usually described as a minimization problem because the maximization of the real-valued function is equivalent to the minimization of the function . Given a possibly nonlinear and non-convex continuous function with the global minima and the set of all global minimizers in , the standard minimization problem can be given as that is, finding and a global minimizer in ; where is a (not necessarily convex) compact set defined by inequalities .
Numerical analysisNumerical analysis is the study of algorithms that use numerical approximation (as opposed to symbolic manipulations) for the problems of mathematical analysis (as distinguished from discrete mathematics). It is the study of numerical methods that attempt at finding approximate solutions of problems rather than the exact ones. Numerical analysis finds application in all fields of engineering and the physical sciences, and in the 21st century also the life and social sciences, medicine, business and even the arts.
Gradient theoremThe gradient theorem, also known as the fundamental theorem of calculus for line integrals, says that a line integral through a gradient field can be evaluated by evaluating the original scalar field at the endpoints of the curve. The theorem is a generalization of the second fundamental theorem of calculus to any curve in a plane or space (generally n-dimensional) rather than just the real line. For φ : U ⊆ Rn → R as a differentiable function and γ as any continuous curve in U which starts at a point p and ends at a point q, then where ∇φ denotes the gradient vector field of φ.
Mechanical energyIn physical sciences, mechanical energy is the sum of potential energy and kinetic energy. The principle of conservation of mechanical energy states that if an isolated system is subject only to conservative forces, then the mechanical energy is constant. If an object moves in the opposite direction of a conservative net force, the potential energy will increase; and if the speed (not the velocity) of the object changes, the kinetic energy of the object also changes.
Monte Carlo methodMonte Carlo methods, or Monte Carlo experiments, are a broad class of computational algorithms that rely on repeated random sampling to obtain numerical results. The underlying concept is to use randomness to solve problems that might be deterministic in principle. They are often used in physical and mathematical problems and are most useful when it is difficult or impossible to use other approaches. Monte Carlo methods are mainly used in three problem classes: optimization, numerical integration, and generating draws from a probability distribution.
Self-organizationSelf-organization, also called spontaneous order in the social sciences, is a process where some form of overall order arises from local interactions between parts of an initially disordered system. The process can be spontaneous when sufficient energy is available, not needing control by any external agent. It is often triggered by seemingly random fluctuations, amplified by positive feedback. The resulting organization is wholly decentralized, distributed over all the components of the system.
