Search results
Results from the WOW.Com Content Network
To the right is a molecular dynamics (MD) simulation in which 900 hard sphere particles are constrained to move in a rectangle. They interact via perfectly elastic collisions. The system is initialized out of equilibrium, but the velocity distribution (in blue) quickly converges to the 2D Maxwell–Boltzmann distribution (in orange).
The Andersen thermostat is a proposal in molecular dynamics simulation for maintaining constant temperature conditions. [1] [2] It is based on periodic reassignment of the velocities of atoms or molecules. For each atom or molecule, the reassigned velocity is picked randomly according to Maxwell–Boltzmann statistics for the given
The Cunningham slip correction factor allows predicting the drag force on a particle moving a fluid with Knudsen number between the continuum regime and free molecular flow. The drag coefficient calculated with standard correlations is divided by the Cunningham correction factor, C , given below.
Thermal velocity or thermal speed is a typical velocity of the thermal motion of particles that make up a gas, liquid, etc. Thus, indirectly, thermal velocity is a measure of temperature. Technically speaking, it is a measure of the width of the peak in the Maxwell–Boltzmann particle velocity distribution.
Molecular tagging velocimetry (MTV) is a specific form of flow velocimetry, a technique for determining the velocity of currents in fluids such as air and water. [1] In its simplest form, a single "write" laser beam is shot once through the sample space.
where D is the diffusivity of A through B, proportional to the average molecular velocity and, therefore dependent on the temperature and pressure of gases. The rate of diffusion N A is usually expressed as the number of moles diffusing across unit area in unit time. As with the basic equation of heat transfer, this indicates that the rate of ...
The Berendsen thermostat [1] is an algorithm to re-scale the velocities of particles in molecular dynamics simulations to control the simulation temperature. It is named after Herman Berendsen . Description
Molecular dynamics simulations are often used to study biophysical systems. Depicted here is a 100 ps simulation of water. A simplified description of the standard molecular dynamics simulation algorithm, when a predictor-corrector-type integrator is used.