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.
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.
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.
Grain boundaryIn materials science, a grain boundary is the interface between two grains, or crystallites, in a polycrystalline material. Grain boundaries are two-dimensional defects in the crystal structure, and tend to decrease the electrical and thermal conductivity of the material. Most grain boundaries are preferred sites for the onset of corrosion and for the precipitation of new phases from the solid. They are also important to many of the mechanisms of creep.
Plasticity (physics)In physics and materials science, plasticity (also known as plastic deformation) is the ability of a solid material to undergo permanent deformation, a non-reversible change of shape in response to applied forces. For example, a solid piece of metal being bent or pounded into a new shape displays plasticity as permanent changes occur within the material itself. In engineering, the transition from elastic behavior to plastic behavior is known as yielding. Plastic deformation is observed in most materials, particularly metals, soils, rocks, concrete, and foams.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Topological defectTopological defects or solitons are irregularities or disruptions that occur within continuous fields or ordered states of matter. These defects, which can take various forms such as points, lines, or surfaces, are characterized by their stability and the fact that they cannot be 'smoothed out' or removed through continuous transformations of the field or material. They play a significant role in various areas of physics, including condensed matter physics, cosmology, and quantum field theory, and can have profound effects on the properties and behavior of the systems in which they occur.
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.
Partially ordered setIn mathematics, especially order theory, a partial order on a set is an arrangement such that, for certain pairs of elements, one precedes the other. The word partial is used to indicate that not every pair of elements needs to be comparable; that is, there may be pairs for which neither element precedes the other. Partial orders thus generalize total orders, in which every pair is comparable. Formally, a partial order is a homogeneous binary relation that is reflexive, transitive and antisymmetric.
PrototypeA prototype is an early sample, model, or release of a product built to test a concept or process. It is a term used in a variety of contexts, including semantics, design, electronics, and software programming. A prototype is generally used to evaluate a new design to enhance precision by system analysts and users. Prototyping serves to provide specifications for a real, working system rather than a theoretical one. In some design workflow models, creating a prototype (a process sometimes called materialization) is the step between the formalization and the evaluation of an idea.
