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.
Crystallographic defectA crystallographic defect is an interruption of the regular patterns of arrangement of atoms or molecules in crystalline solids. The positions and orientations of particles, which are repeating at fixed distances determined by the unit cell parameters in crystals, exhibit a periodic crystal structure, but this is usually imperfect. Several types of defects are often characterized: point defects, line defects, planar defects, bulk defects. Topological homotopy establishes a mathematical method of characterization.
Vacancy defectIn crystallography, a vacancy is a type of point defect in a crystal where an atom is missing from one of the lattice sites. Crystals inherently possess imperfections, sometimes referred to as crystallographic defects. Vacancies occur naturally in all crystalline materials. At any given temperature, up to the melting point of the material, there is an equilibrium concentration (ratio of vacant lattice sites to those containing atoms). At the melting point of some metals the ratio can be approximately 1:1000.
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.
Frenkel defectIn crystallography, a Frenkel defect is a type of point defect in crystalline solids, named after its discoverer Yakov Frenkel. The defect forms when an atom or smaller ion (usually cation) leaves its place in the lattice, creating a vacancy and becomes an interstitial by lodging in a nearby location. In elemental systems, they are primarily generated during particle irradiation, as their formation enthalpy is typically much higher than for other point defects, such as vacancies, and thus their equilibrium concentration according to the Boltzmann distribution is below the detection limit.
Schottky defectA Schottky defect is an excitation of the site occupations in a crystal lattice leading to point defects named after Walter H. Schottky. In ionic crystals, this defect forms when oppositely charged ions leave their lattice sites and become incorporated for instance at the surface, creating oppositely charged vacancies. These vacancies are formed in stoichiometric units, to maintain an overall neutral charge in the ionic solid. Schottky defects consist of unoccupied anion and cation sites in a stoichiometric ratio.
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.
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.
Slip (materials science)In materials science, slip is the large displacement of one part of a crystal relative to another part along crystallographic planes and directions. Slip occurs by the passage of dislocations on close/packed planes, which are planes containing the greatest number of atoms per area and in close-packed directions (most atoms per length). Close-packed planes are known as slip or glide planes. A slip system describes the set of symmetrically identical slip planes and associated family of slip directions for which dislocation motion can easily occur and lead to plastic deformation.
Binding energyIn physics and chemistry, binding energy is the smallest amount of energy required to remove a particle from a system of particles or to disassemble a system of particles into individual parts. In the former meaning the term is predominantly used in condensed matter physics, atomic physics, and chemistry, whereas in nuclear physics the term separation energy is used. A bound system is typically at a lower energy level than its unbound constituents.
SimulationA simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games.
Nuclear binding energyNuclear binding energy in experimental physics is the minimum energy that is required to disassemble the nucleus of an atom into its constituent protons and neutrons, known collectively as nucleons. The binding energy for stable nuclei is always a positive number, as the nucleus must gain energy for the nucleons to move apart from each other. Nucleons are attracted to each other by the strong nuclear force. In theoretical nuclear physics, the nuclear binding energy is considered a negative number.
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.
Military simulationMilitary simulations, also known informally as war games, are simulations in which theories of warfare can be tested and refined without the need for actual hostilities. Military simulations are seen as a useful way to develop tactical, strategical and doctrinal solutions, but critics argue that the conclusions drawn from such models are inherently flawed, due to the approximate nature of the models used. Many professional analysts object to the term wargames as this is generally taken to be referring to the civilian hobby, thus the preference for the term simulation.
Interatomic potentialInteratomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in computational chemistry, computational physics and computational materials science to explain and predict materials properties.
Ionization energyIn physics and chemistry, ionization energy (IE) (American English spelling), ionisation energy (British English spelling) is the minimum energy required to remove the most loosely bound electron of an isolated gaseous atom, positive ion, or molecule. The first ionization energy is quantitatively expressed as X(g) + energy ⟶ X+(g) + e− where X is any atom or molecule, X+ is the resultant ion when the original atom was stripped of a single electron, and e− is the removed electron.
For loopIn computer science a for-loop or for loop is a control flow statement for specifying iteration. Specifically, a for loop functions by running a section of code repeatedly until a certain condition has been satisfied. For-loops have two parts: a header and a body. The header defines the iteration and the body is the code that is executed once per iteration. The header often declares an explicit loop counter or loop variable. This allows the body to know which iteration is being executed.
Social simulationSocial simulation is a research field that applies computational methods to study issues in the social sciences. The issues explored include problems in computational law, psychology, organizational behavior, sociology, political science, economics, anthropology, geography, engineering, archaeology and linguistics . Social simulation aims to cross the gap between the descriptive approach used in the social sciences and the formal approach used in the natural sciences, by moving the focus on the processes/mechanisms/behaviors that build the social reality.
Simulation hypothesisThe simulation hypothesis proposes that all of existence is a simulated reality, such as a computer simulation. This simulation could contain conscious minds that may or may not know that they live inside a simulation. This is quite different from the current, technologically achievable concept of virtual reality, which is easily distinguished from the experience of actuality. Simulated reality, by contrast, would be hard or impossible to separate from "true" reality.
Point mutationA point mutation is a genetic mutation where a single nucleotide base is changed, inserted or deleted from a DNA or RNA sequence of an organism's genome. Point mutations have a variety of effects on the downstream protein product—consequences that are moderately predictable based upon the specifics of the mutation. These consequences can range from no effect (e.g. synonymous mutations) to deleterious effects (e.g. frameshift mutations), with regard to protein production, composition, and function.
