Molecular dynamicsMolecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.
Rydberg constantIn spectroscopy, the Rydberg constant, symbol for heavy atoms or for hydrogen, named after the Swedish physicist Johannes Rydberg, is a physical constant relating to the electromagnetic spectra of an atom. The constant first arose as an empirical fitting parameter in the Rydberg formula for the hydrogen spectral series, but Niels Bohr later showed that its value could be calculated from more fundamental constants according to his model of the atom.
Rydberg formulaIn atomic physics, the Rydberg formula calculates the wavelengths of a spectral line in many chemical elements. The formula was primarily presented as a generalization of the Balmer series for all atomic electron transitions of hydrogen. It was first empirically stated in 1888 by the Swedish physicist Johannes Rydberg, then theoretically by Niels Bohr in 1913, who used a primitive form of quantum mechanics. The formula directly generalizes the equations used to calculate the wavelengths of the hydrogen spectral series.
Rydberg atomA Rydberg atom is an excited atom with one or more electrons that have a very high principal quantum number, n. The higher the value of n, the farther the electron is from the nucleus, on average. Rydberg atoms have a number of peculiar properties including an exaggerated response to electric and magnetic fields, long decay periods and electron wavefunctions that approximate, under some conditions, classical orbits of electrons about the nuclei.
Supersonic speedSupersonic speed is the speed of an object that exceeds the speed of sound (Mach 1). For objects traveling in dry air of a temperature of 20 °C (68 °F) at sea level, this speed is approximately . Speeds greater than five times the speed of sound (Mach 5) are often referred to as hypersonic. Flights during which only some parts of the air surrounding an object, such as the ends of rotor blades, reach supersonic speeds are called transonic. This occurs typically somewhere between Mach 0.8 and Mach 1.2.
Excited stateIn quantum mechanics, an excited state of a system (such as an atom, molecule or nucleus) is any quantum state of the system that has a higher energy than the ground state (that is, more energy than the absolute minimum). Excitation refers to an increase in energy level above a chosen starting point, usually the ground state, but sometimes an already excited state. The temperature of a group of particles is indicative of the level of excitation (with the notable exception of systems that exhibit negative temperature).
Shock waveIn physics, a shock wave (also spelled shockwave), or shock, is a type of propagating disturbance that moves faster than the local speed of sound in the medium. Like an ordinary wave, a shock wave carries energy and can propagate through a medium but is characterized by an abrupt, nearly discontinuous, change in pressure, temperature, and density of the medium. For the purpose of comparison, in supersonic flows, additional increased expansion may be achieved through an expansion fan, also known as a Prandtl–Meyer expansion fan.
Supersonic aircraftA supersonic aircraft is an aircraft capable of supersonic flight, that is, flying faster than the speed of sound (Mach 1). Supersonic aircraft were developed in the second half of the twentieth century. Supersonic aircraft have been used for research and military purposes, but only two supersonic aircraft, the Tupolev Tu-144 (first flown on December 31, 1968) and the Concorde (first flown on March 2, 1969), ever entered service for civil use as airliners. Fighter jets are the most common example of supersonic aircraft.
System dynamicsSystem dynamics (SD) is an approach to understanding the nonlinear behaviour of complex systems over time using stocks, flows, internal feedback loops, table functions and time delays. System dynamics is a methodology and mathematical modeling technique to frame, understand, and discuss complex issues and problems. Originally developed in the 1950s to help corporate managers improve their understanding of industrial processes, SD is currently being used throughout the public and private sector for policy analysis and design.
Supersonic transportA supersonic transport (SST) or a supersonic airliner is a civilian supersonic aircraft designed to transport passengers at speeds greater than the speed of sound. To date, the only SSTs to see regular service have been Concorde and the Tupolev Tu-144. The last passenger flight of the Tu-144 was in June 1978 and it was last flown in 1999 by NASA. Concorde's last commercial flight was in October 2003, with a November 26, 2003 ferry flight being its last airborne operation.
Sonic boomA sonic boom is a sound associated with shock waves created when an object travels through the air faster than the speed of sound. Sonic booms generate enormous amounts of sound energy, sounding similar to an explosion or a thunderclap to the human ear. The crack of a supersonic bullet passing overhead or the crack of a bullwhip are examples of a sonic boom in miniature. Sonic booms due to large supersonic aircraft can be particularly loud and startling, tend to awaken people, and may cause minor damage to some structures.
Ground stateThe ground state of a quantum-mechanical system is its stationary state of lowest energy; the energy of the ground state is known as the zero-point energy of the system. An excited state is any state with energy greater than the ground state. In quantum field theory, the ground state is usually called the vacuum state or the vacuum. If more than one ground state exists, they are said to be degenerate. Many systems have degenerate ground states.
Bohr modelIn atomic physics, the Bohr model or Rutherford–Bohr model of the atom, presented by Niels Bohr and Ernest Rutherford in 1913, consists of a small, dense nucleus surrounded by orbiting electrons. It is analogous to the structure of the Solar System, but with attraction provided by electrostatic force rather than gravity, and with the electron energies quantized (assuming only discrete values).
Wave dragIn aeronautics, wave drag is a component of the aerodynamic drag on aircraft wings and fuselage, propeller blade tips and projectiles moving at transonic and supersonic speeds, due to the presence of shock waves. Wave drag is independent of viscous effects, and tends to present itself as a sudden and dramatic increase in drag as the vehicle increases speed to the critical Mach number. It is the sudden and dramatic rise of wave drag that leads to the concept of a sound barrier.
Hydrogen atomA hydrogen atom is an atom of the chemical element hydrogen. The electrically neutral atom contains a single positively charged proton and a single negatively charged electron bound to the nucleus by the Coulomb force. Atomic hydrogen constitutes about 75% of the baryonic mass of the universe. In everyday life on Earth, isolated hydrogen atoms (called "atomic hydrogen") are extremely rare. Instead, a hydrogen atom tends to combine with other atoms in compounds, or with another hydrogen atom to form ordinary (diatomic) hydrogen gas, H2.
Matrix mechanicsMatrix mechanics is a formulation of quantum mechanics created by Werner Heisenberg, Max Born, and Pascual Jordan in 1925. It was the first conceptually autonomous and logically consistent formulation of quantum mechanics. Its account of quantum jumps supplanted the Bohr model's electron orbits. It did so by interpreting the physical properties of particles as matrices that evolve in time. It is equivalent to the Schrödinger wave formulation of quantum mechanics, as manifest in Dirac's bra–ket notation.
Computer simulationComputer simulation is the process of mathematical modelling, performed on a computer, which is designed to predict the behaviour of, or the outcome of, a real-world or physical system. The reliability of some mathematical models can be determined by comparing their results to the real-world outcomes they aim to predict. Computer simulations have become a useful tool for the mathematical modeling of many natural systems in physics (computational physics), astrophysics, climatology, chemistry, biology and manufacturing, as well as human systems in economics, psychology, social science, health care and engineering.
AtomAn atom is a particle that consists of a nucleus of protons and neutrons surrounded by a cloud of electrons. The atom is the basic particle of the chemical elements, and the chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. The number of neutrons defines the isotope of the element. Atoms are extremely small, typically around 100 picometers across.
Computational chemistryComputational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Complex systemA complex system is a system composed of many components which may interact with each other. Examples of complex systems are Earth's global climate, organisms, the human brain, infrastructure such as power grid, transportation or communication systems, complex software and electronic systems, social and economic organizations (like cities), an ecosystem, a living cell, and ultimately the entire universe.
