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When talking about solid materials, the discussion is mainly around crystals – periodic lattices. Here we will discuss a 1D lattice of positive ions. Assuming the spacing between two ions is a, the potential in the lattice will look something like this: The mathematical representation of the potential is a periodic function with a period a.
In atomic physics, the Bohr model or Rutherford–Bohr model was the first successful model of the atom. Developed from 1911 to 1918 by Niels Bohr and building on Ernest Rutherford 's nuclear model , it supplanted the plum pudding model of J J Thomson only to be replaced by the quantum atomic model in the 1920s.
Brownian motion is the random motion of particles suspended in a medium (a liquid or a gas). [2] This motion pattern typically consists of random fluctuations in a particle's position inside a fluid sub-domain, followed by a relocation to another sub-domain. Each relocation is followed by more fluctuations within the new closed volume.
The Bose–Hubbard model gives a description of the physics of interacting spinless bosons on a lattice.It is closely related to the Hubbard model that originated in solid-state physics as an approximate description of superconducting systems and the motion of electrons between the atoms of a crystalline solid.
The hybrid model is a combination of fluid and kinetic models, treating some components of the system as a fluid, and others kinetically. The hybrid model is sometimes applied in space physics , when the simulation domain exceeds thousands of ion gyroradius scales, making it impractical to solve kinetic equations for electrons.
The Hooke's atom is a simple model of the helium atom using the quantum harmonic oscillator. Modelling phonons, as discussed above. A charge q {\displaystyle q} with mass m {\displaystyle m} in a uniform magnetic field B {\displaystyle \mathbf {B} } is an example of a one-dimensional quantum harmonic oscillator: Landau quantization .
The parameterization of these very coarse-grained models must be done empirically, by matching the behavior of the model to appropriate experimental data or all-atom simulations. Ideally, these parameters should account for both enthalpic and entropic contributions to free energy in an implicit way. [ 58 ]
Langevin dynamics mimics the viscous aspect of a solvent. It does not fully model an implicit solvent; specifically, the model does not account for the electrostatic screening and also not for the hydrophobic effect. For denser solvents, hydrodynamic interactions are not captured via Langevin dynamics.