interatomic potentials

См. также в других словарях:

• Stopping power (particle radiation) — In passing through matter, fast charged particles ionize the atoms or molecules which they encounter. Thus, the fast particles gradually lose energy in many small steps. Stopping power is defined as the average energy loss of the particle per… …   Wikipedia

• Force field (chemistry) — In the context of molecular mechanics, a force field (also called a forcefield) refers to the functional form and parameter sets used to describe the potential energy of a system of particles (typically but not necessarily atoms). Force field… …   Wikipedia

• Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

• Nanomechanics — Part of a series of articles on Nanoelectronics Single molecule electronics …   Wikipedia

• Champ de force (chimie) — Pour les articles homonymes, voir champ de force. Un champ de force peut par exemple être utilisé afin de minimiser l énergie d étirement de cette molécule d éthane. Dans le cadre de la m …   Wikipédia en Français

• Implicit solvation — (sometimes known as continuum solvation) is a method of representing solvent as a continuous medium instead of individual “explicit” solvent molecules most often used in molecular dynamics simulations and in other applications of molecular… …   Wikipedia

• Materials Simulation Laboratory (MSL) — The Materials Simulation Laboratory of the Department of Physics, University of South Florida, (MSL) was established in 2002 by Prof. Ivan Oleynik of that University. The MSL is dedicated to solving challenging problems in condensed matter and… …   Wikipedia

• МЕЖАТОМНОЕ ВЗАИМОДЕЙСТВИЕ — взаимодействие между атомами как свободными, так и входящими в состав одной или разных молекул, кристаллов и т. д. М. в. может быть к о в а л е н т н ы м, и о н н ы м, м е т а л л и ч е с к и м, типа в о д о р о д н о й с в я з и и в а н д е р в… …   Физическая энциклопедия

• Threshold displacement energy — The threshold displacement energy Td is the minimum kinetic energy that an atom in a solid needs to be permanently displaced from its lattice site to a defect position. It is also known as displacement threshold energy or just displacement energy …   Wikipedia

• Materials Simulation Laboratory — The Materials Simulation Laboratory of the Department of Physics, University of South Florida, (MSL) was established in 2002 by Prof. Ivan Oleynik of that University. The MSL is dedicated to solving challenging problems in condensed matter and… …   Wikipedia

• Tight binding — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbat …   Wikipedia