DislocationIn materials science, a dislocation or Taylor's dislocation is a linear crystallographic defect or irregularity within a crystal structure that contains an abrupt change in the arrangement of atoms. The movement of dislocations allow atoms to slide over each other at low stress levels and is known as glide or slip. The crystalline order is restored on either side of a glide dislocation but the atoms on one side have moved by one position. The crystalline order is not fully restored with a partial dislocation.
Recovery (metallurgy)In metallurgy, recovery is a process by which a metal or alloy's deformed grains can reduce their stored energy by the removal or rearrangement of defects in their crystal structure. These defects, primarily dislocations, are introduced by plastic deformation of the material and act to increase the yield strength of a material. Since recovery reduces the dislocation density, the process is normally accompanied by a reduction in a material's strength and a simultaneous increase in the ductility.
Energy levelA quantum mechanical system or particle that is bound—that is, confined spatially—can only take on certain discrete values of energy, called energy levels. This contrasts with classical particles, which can have any amount of energy. The term is commonly used for the energy levels of the electrons in atoms, ions, or molecules, which are bound by the electric field of the nucleus, but can also refer to energy levels of nuclei or vibrational or rotational energy levels in molecules.
Burgers vectorIn materials science, the Burgers vector, named after Dutch physicist Jan Burgers, is a vector, often denoted as b, that represents the magnitude and direction of the lattice distortion resulting from a dislocation in a crystal lattice. The vector's magnitude and direction is best understood when the dislocation-bearing crystal structure is first visualized without the dislocation, that is, the perfect crystal structure.
Cross slipIn materials science, cross slip is the process by which a screw dislocation moves from one slip plane to another due to local stresses. It allows non-planar movement of screw dislocations. Non-planar movement of edge dislocations is achieved through climb. Since the Burgers vector of a perfect screw dislocation is parallel to the dislocation line, it has an infinite number of possible slip planes (planes containing the dislocation line and the Burgers vector), unlike an edge or mixed dislocation, which has a unique slip plane.
Work hardeningIn materials science, work hardening, also known as strain hardening, is the strengthening of a metal or polymer by plastic deformation. Work hardening may be desirable, undesirable, or inconsequential, depending on the context. This strengthening occurs because of dislocation movements and dislocation generation within the crystal structure of the material. Many non-brittle metals with a reasonably high melting point as well as several polymers can be strengthened in this fashion.
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.
Molecular modellingMolecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.
Atomic electron transitionIn atomic physics and chemistry, an atomic electron transition (also called an electronic (de-)excitation, atomic transition, or quantum jump) is a change (or jump) of an electron from one energy level to another within an atom or artificial atom. It appears discontinuous as the electron "jumps" from one quantized energy level to another, typically in a few nanoseconds or less. Electron transitions cause the emission or absorption of electromagnetic radiation in the form of quantized units called photons.
Atomic radiusThe atomic radius of a chemical element is a measure of the size of its atom, usually the mean or typical distance from the center of the nucleus to the outermost isolated electron. Since the boundary is not a well-defined physical entity, there are various non-equivalent definitions of atomic radius. Four widely used definitions of atomic radius are: Van der Waals radius, ionic radius, metallic radius and covalent radius.
