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In chemistry, the lattice energy is the energy change upon formation of one mole of a crystalline ionic compound from its constituent ions, which are assumed to initially be in the gaseous state. It is a measure of the cohesive forces that bind ionic solids.
The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.
The calculated lattice energy gives a good estimation for the Born–Landé equation; the real value differs in most cases by less than 5%. Furthermore, one is able to determine the ionic radii (or more properly, the thermochemical radius) using the Kapustinskii equation when the lattice energy is known.
The Born–Mayer equation is an equation that is used to calculate the lattice energy of a crystalline ionic compound.It is a refinement of the Born–Landé equation by using an improved repulsion term.
The energy is replaced by the characteristic potential of that ensemble, the Gibbs Free Energy. The letter Z stands for the German word Zustandssumme , "sum over states". The usefulness of the partition function stems from the fact that the macroscopic thermodynamic quantities of a system can be related to its microscopic details through the ...
The macroscopic energy equation for infinitesimal volume used in heat transfer analysis is [6] = +, ˙, where q is heat flux vector, −ρc p (∂T/∂t) is temporal change of internal energy (ρ is density, c p is specific heat capacity at constant pressure, T is temperature and t is time), and ˙ is the energy conversion to and from thermal ...
One of the results from the band theory of solids is that the movement of particles in a periodic potential, over long distances larger than the lattice spacing, can be very different from their motion in a vacuum. The effective mass is a quantity that is used to simplify band structures by modeling the behavior of a free particle with that mass.
The initial stage A. of defect creation, until all excess kinetic energy has dissipated in the lattice and it is back to its initial temperature T 0, takes < 5 ps. This is the fundamental ("primary damage") threshold displacement energy, and also the one usually simulated by molecular dynamics computer simulations.