Search results
Results from the WOW.Com Content Network
Force fields are used for the simulation of metals, ceramics, molecules, chemistry, and biological systems, covering the entire periodic table and multiphase materials. Today's performance is among the best for solid-state materials, [ 51 ] [ 52 ] molecular fluids, [ 21 ] and for biomacromolecules, [ 53 ] whereby biomacromolecules were the ...
In theoretical chemistry, the Buckingham potential is a formula proposed by Richard Buckingham which describes the Pauli exclusion principle and van der Waals energy for the interaction of two atoms that are not directly bonded as a function of the interatomic distance.
In computational chemistry and computational physics, the embedded atom model, embedded-atom method or EAM, is an 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 between an atom and its neighbors.
In physics, Hooke's law is an empirical law which states that the force (F) needed to extend or compress a spring by some distance (x) scales linearly with respect to that distance—that is, F s = kx, where k is a constant factor characteristic of the spring (i.e., its stiffness), and x is small compared to the total possible deformation of the spring.
Elastic energy of or within a substance is static energy of configuration. It corresponds to energy stored principally by changing the interatomic distances between nuclei. Thermal energy is the randomized distribution of kinetic energy within the material, resulting in statistical fluctuations of the material about the equilibrium ...
The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule.It is a better approximation for the vibrational structure of the molecule than the quantum harmonic oscillator because it explicitly includes the effects of bond breaking, such as the existence of unbound states.
To extend the two atoms approach into solid, consider a simple model, say, a 1-D array of one element with interatomic distance of a, and the equilibrium distance is a 0. Its potential energy-interatomic distance relationship has similar form as the two atoms case, which reaches minimal at a 0, The Taylor expansion for this is:
Stiffness is the extent to which an object resists deformation in response to an applied force. [ 1 ] The complementary concept is flexibility or pliability: the more flexible an object is, the less stiff it is.