Interatomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. Interatomic potentials...

learning programs to construct interatomic potentials, mapping atomic structures to their potential energies. These potentials are generally referred to as...

result of interatomic interaction, it is related to the extension/compression of bonds. It can then be derived from the interatomic potential for crystalline...

directly bonded as a function of the interatomic distance r{\displaystyle r}. It is a variety of interatomic potentials. Φ12(r)=Aexp⁡(−Br)−Cr6{\displaystyle...

of the Lennard-Jones potential have been proposed in the literature; a more extensive list is given in the 'interatomic potential' article. The following...

Ions in Matter), which is based on the ZBL electronic stopping and interatomic potential. It has a very easy-to-use user interface, and has default parameters...

where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields. The...

Triangular potential well Interatomic potential Bond order potential EAM potential Coulomb potential Buckingham potential Lennard-Jones potential Morse potential...

variety of interatomic potentials. More precisely, the force field refers to the functional form and parameter sets used to calculate the potential energy...

and common to approximate the interaction by a pair potential, for example interatomic potentials in physics and computational chemistry that use approximations...

'(a)\right]}{\Pi ''(a)a+(d-1)\Pi '(a)}},} where Π {\displaystyle \Pi } is the interatomic potential, a {\displaystyle a} is the equilibrium distance, d {\displaystyle...

electronic structure data with a wide variety of models, called interatomic potentials. With the interactions prescribed (forces), Newtonian motion is...

approximation describing the energy between atoms and is a type of interatomic potential. The energy is a function of a sum of functions of the separation...

following interatomic potential models are commonly used in materials science: Born-Mayer potential, Morse potential, Lennard Jones potential, and Mie...

following sufficient condition for potential giving rise to NTE behavior is proposed for the interatomic potential, Π ( x ) {\displaystyle \Pi (x)} ,...

repository of interatomic potentials that are exhaustively tested with user-developed integrity tests, tools to help select among existing potentials and develop...

Feshbach resonance occurs when the energy of a bound state of an interatomic potential is equal to the kinetic energy of a colliding pair of atoms. In...

into long and short beeps, invented by Samuel Morse Morse potential, a model interatomic potential energy function Morse taper, a type of machine taper invented...

Bond order potential is a class of empirical (analytical) interatomic potentials which is used in molecular dynamics and molecular statics simulations...

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of the effective research method to obtain realistic classical interatomic potential or force field for molecular dynamics simulation with high degree...

increase of the atomic kinetic energy, but because of changes of the interatomic potential due to excitation of electrons. Since electrons are acting like...

function, and is quantitatively related to the repulsive part of the interatomic potential. Finally, k B {\displaystyle k_{B}} denotes the Boltzmann constant...

valve used in oil or natural gas drilling Bond order potential, a form of interatomic potential used, for example, in molecular dynamics simulations BOP...

The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule...

1829 in its modern sense, and in 1853, William Rankine coined the term "potential energy." It was argued for some years whether energy was a substance (the...

introduction in Passante, R.; Spagnolo, S. (2007). "Casimir–Polder interatomic potential between two atoms at finite temperature and in the presence of boundary...

Common forms of energy include the kinetic energy of a moving object, the potential energy stored by an object (for instance due to its position in a field)...

Chapman–Enskog theory Collision theory Critical temperature Gas laws Heat Interatomic potential Magnetohydrodynamics Maxwell–Boltzmann distribution Mixmaster universe...

mathematical theorem about dimensional analysis Buckingham potential, an interatomic potential energy model HMS Buckingham, a list of ships of the Royal...