Molecular design softwareMolecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including: Molecular graphics interactive molecular drawing and conformational editing building polymeric molecules, crystals, and solvated systems partial charges development g
Business simulationBusiness simulation or corporate simulation is simulation used for business training, education or analysis. It can be scenario-based or numeric-based. Most business simulations are used for business acumen training and development. Learning objectives include: strategic thinking, decision making, problem solving, financial analysis, market analysis, operations, teamwork and leadership. The business gaming community seems lately to have adopted the term business simulation game instead of just gaming or just simulation.
Déformation plastiqueLa théorie de la plasticité traite des déformations irréversibles indépendantes du temps, elle est basée sur des mécanismes physiques intervenant dans les métaux et alliages mettant en jeu des mouvements de dislocations (un réarrangement de la position relative des atomes, ou plus généralement des éléments constitutifs du matériau) dans un réseau cristallin sans influence de phénomènes visqueux ni présence de décohésion endommageant la matière. Une des caractéristiques de la plasticité est qu’elle n’apparaît qu’une fois un seuil de charge atteint.
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.
Stochastic simulationA stochastic simulation is a simulation of a system that has variables that can change stochastically (randomly) with individual probabilities. Realizations of these random variables are generated and inserted into a model of the system. Outputs of the model are recorded, and then the process is repeated with a new set of random values. These steps are repeated until a sufficient amount of data is gathered. In the end, the distribution of the outputs shows the most probable estimates as well as a frame of expectations regarding what ranges of values the variables are more or less likely to fall in.
Vehicle simulation gameVehicle simulation games are a genre of video games which attempt to provide the player with a realistic interpretation of operating various kinds of vehicles. This includes automobiles, aircraft, watercraft, spacecraft, military vehicles, and a variety of other vehicles. The main challenge is to master driving and steering the vehicle from the perspective of the pilot or driver, with most games adding another challenge such as racing or fighting rival vehicles.
Potentiel d'oxydoréductionLe potentiel d'oxydoréduction, ou potentiel redox, est une grandeur empirique exprimée en volts et généralement notée (ou, pour le potentiel redox standard, E(M/M) où M désigne un métal quelconque). Ce potentiel est exprimé par rapport à une référence, souvent mesurée par une électrode normale à hydrogène (ENH, d'où l'unité V/ENH rencontrée dans certains ouvrages). Cette mesure est appliquée aux couples d'oxydoréduction pour prévoir la réactivité des espèces chimiques entre elles.
Training simulationIn business, training simulation is a virtual medium through which various types of skills can be acquired. Training simulations can be used in a variety of genres; however they are most commonly used in corporate situations to improve business awareness and management skills. They are also common in academic environments as an integrated part of a business or management course. The word simulation implies an imitation of a real-life process, usually via a computer or other technological device, in order to provide a lifelike experience.
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.
Méthode quantique semi-empiriqueLes méthodes semi-empiriques sont des techniques de résolution de l'équation de Schrödinger de systèmes à plusieurs électrons. Contrairement aux méthodes ab initio, les méthodes semi-empiriques utilisent des données ajustées sur des résultats expérimentaux afin de simplifier les calculs. La longueur et la difficulté des calculs est en grande partie due aux intégrales biélectroniques qui apparaissent au cours du processus de résolution.
