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.
OscillationOscillation is the repetitive or periodic variation, typically in time, of some measure about a central value (often a point of equilibrium) or between two or more different states. Familiar examples of oscillation include a swinging pendulum and alternating current. Oscillations can be used in physics to approximate complex interactions, such as those between atoms.
Simple harmonic motionIn mechanics and physics, simple harmonic motion (sometimes abbreviated ()) is a special type of periodic motion an object experiences due to a restoring force whose magnitude is directly proportional to the distance of the object from an equilibrium position and acts towards the equilibrium position. It results in an oscillation that is described by a sinusoid which continues indefinitely (if uninhibited by friction or any other dissipation of energy).
Inertial frame of referenceIn classical physics and special relativity, an inertial frame of reference (also called inertial space, or Galilean reference frame) is a frame of reference not undergoing any acceleration. It is a frame in which an isolated physical object—an object with zero net force acting on it—is perceived to move with a constant velocity or, equivalently, it is a frame of reference in which Newton's first law of motion holds.
Condensed matter physicsCondensed matter physics is the field of physics that deals with the macroscopic and microscopic physical properties of matter, especially the solid and liquid phases which arise from electromagnetic forces between atoms. More generally, the subject deals with condensed phases of matter: systems of many constituents with strong interactions among them. More exotic condensed phases include the superconducting phase exhibited by certain materials at extremely low cryogenic temperature, the ferromagnetic and antiferromagnetic phases of spins on crystal lattices of atoms, and the Bose–Einstein condensate found in ultracold atomic systems.
Longitudinal waveLongitudinal waves are waves in which the vibration of the medium is parallel to the direction the wave travels and displacement of the medium is in the same (or opposite) direction of the wave propagation. Mechanical longitudinal waves are also called compressional or compression waves, because they produce compression and rarefaction when traveling through a medium, and pressure waves, because they produce increases and decreases in pressure.
MotionIn physics, motion is the phenomenon by which an object changes its position with respect to time. Motion is mathematically described in terms of displacement, distance, velocity, acceleration, speed, and frame of reference to an observer, measuring the change in position of the body relative to that frame with a change in time. The branch of physics describing the motion of objects without reference to their cause is called kinematics, while the branch studying forces and their effect on motion is called dynamics.
Continuum mechanicsContinuum mechanics is a branch of mechanics that deals with the deformation of and transmission of forces through materials modeled as a continuous mass rather than as discrete particles. The French mathematician Augustin-Louis Cauchy was the first to formulate such models in the 19th century. A continuum model assumes that the substance of the object completely fills the space it occupies. This ignores the fact that matter is made of atoms, however provides a sufficiently accurate description of matter on length scales much greater than that of inter-atomic distances.
Fictitious forceA fictitious force is a force that appears to act on a mass whose motion is described using a non-inertial frame of reference, such as a linearly accelerating or rotating reference frame. It is related to Newton's second law of motion, which treats forces for just one object. Passengers in a vehicle accelerating in the forward direction may perceive they are acted upon by a force moving them into the direction of the backrest of their seats for instance.
Van der Waals forceIn molecular physics, the van der Waals force is a distance-dependent interaction between atoms or molecules. Unlike ionic or covalent bonds, these attractions do not result from a chemical electronic bond; they are comparatively weak and therefore more susceptible to disturbance. The van der Waals force quickly vanishes at longer distances between interacting molecules. Named after Dutch physicist Johannes Diderik van der Waals, the van der Waals force plays a fundamental role in fields as diverse as supramolecular chemistry, structural biology, polymer science, nanotechnology, surface science, and condensed matter physics.
WaveIn physics, mathematics, engineering, and related fields, a wave is a propagating dynamic disturbance (change from equilibrium) of one or more quantities. Waves can be periodic, in which case those quantities oscillate repeatedly about an equilibrium (resting) value at some frequency. When the entire waveform moves in one direction, it is said to be a traveling wave; by contrast, a pair of superimposed periodic waves traveling in opposite directions makes a standing wave.
DissipationIn thermodynamics, dissipation is the result of an irreversible process that affects a thermodynamic system. In a dissipative process, energy (internal, bulk flow kinetic, or system potential) transforms from an initial form to a final form, where the capacity of the final form to do thermodynamic work is less than that of the initial form. For example, transfer of energy as heat is dissipative because it is a transfer of energy other than by thermodynamic work or by transfer of matter, and spreads previously concentrated energy.
SoundIn physics, sound is a vibration that propagates as an acoustic wave, through a transmission medium such as a gas, liquid or solid. In human physiology and psychology, sound is the reception of such waves and their perception by the brain. Only acoustic waves that have frequencies lying between about 20 Hz and 20 kHz, the audio frequency range, elicit an auditory percept in humans. In air at atmospheric pressure, these represent sound waves with wavelengths of to . Sound waves above 20 kHz are known as ultrasound and are not audible to humans.
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.
Phase ruleIn thermodynamics, the phase rule is a general principle governing "pVT" systems, whose thermodynamic states are completely described by the variables pressure (p), volume (V) and temperature (T), in thermodynamic equilibrium. If F is the number of degrees of freedom, C is the number of components and P is the number of phases, then It was derived by American physicist Josiah Willard Gibbs in his landmark paper titled On the Equilibrium of Heterogeneous Substances, published in parts between 1875 and 1878.
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.
Phase (matter)In the physical sciences, a phase is a region of material that is chemically uniform, physically distinct, and (often) mechanically separable. In a system consisting of ice and water in a glass jar, the ice cubes are one phase, the water is a second phase, and the humid air is a third phase over the ice and water. The glass of the jar is another separate phase. (See .) More precisely, a phase is a region of space (a thermodynamic system), throughout which all physical properties of a material are essentially uniform.
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.
Fluid dynamicsIn physics, physical chemistry and engineering, fluid dynamics is a subdiscipline of fluid mechanics that describes the flow of fluids—liquids and gases. It has several subdisciplines, including aerodynamics (the study of air and other gases in motion) and hydrodynamics (the study of liquids in motion). Fluid dynamics has a wide range of applications, including calculating forces and moments on aircraft, determining the mass flow rate of petroleum through pipelines, predicting weather patterns, understanding nebulae in interstellar space and modelling fission weapon detonation.
Mechanical waveIn physics, a mechanical wave is a wave that is an oscillation of matter, and therefore transfers energy through a medium. While waves can move over long distances, the movement of the medium of transmission—the material—is limited. Therefore, the oscillating material does not move far from its initial equilibrium position. Mechanical waves can be produced only in media which possess elasticity and inertia. There are three types of mechanical waves: transverse waves, longitudinal waves, and surface waves.
