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Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is a molecular dynamics program from Sandia National Laboratories. [1] LAMMPS makes use of Message Passing Interface (MPI) for parallel communication and is free and open-source software , distributed under the terms of the GNU General Public License .
The pressure value that is attempted to compute, is such that when plugged into momentum equations a divergence-free velocity field results. The mass imbalance is often also used for control of the outer loop. The name of this class of methods stems from the fact that the correction of the velocity field is computed through the pressure-field.
PLUMED is an open-source library implementing enhanced-sampling algorithms, various free-energy methods, and analysis tools for molecular dynamics simulations. It is designed to be used together with ACEMD, AMBER, DL_POLY, GROMACS, LAMMPS, NAMD, OpenMM, ABIN, CP2K, i-PI, PINY-MD, and Quantum ESPRESSO, but it can also be used together with analysis and visualization tools VMD, HTMD, and ...
Schematic of D2Q9 lattice vectors for 2D Lattice Boltzmann. Unlike CFD methods that solve the conservation equations of macroscopic properties (i.e., mass, momentum, and energy) numerically, LBM models the fluid consisting of fictive particles, and such particles perform consecutive propagation and collision processes over a discrete lattice.
One of the useful methods to determine the dynamic surface tension is measuring the "maximum bubble pressure method" or, simply, bubble pressure method. [1] [2] Bubble pressure tensiometer produces gas bubbles (ex. air) at constant rate and blows them through a capillary which is submerged in the sample liquid and its radius is already known.
Although they differ in how they compute or apply the constraints themselves, the constraints are still modelled using Lagrange multipliers which are computed using the Gauss–Seidel method. The original SHAKE algorithm is capable of constraining both rigid and flexible molecules (eg. water, benzene and biphenyl ) and introduces negligible ...
This pressure distribution is simply the pressure at all points around an airfoil. Typically, graphs of these distributions are drawn so that negative numbers are higher on the graph, as the C p {\displaystyle C_{p}} for the upper surface of the airfoil will usually be farther below zero and will hence be the top line on the graph.
The Laplace pressure is the pressure difference between the inside and the outside of a curved surface that forms the boundary between two fluid regions. [1] The pressure difference is caused by the surface tension of the interface between liquid and gas, or between two immiscible liquids.