A study on the measurement of mean velocity and its convergence in molecular dynamics simulations

• Published in: International journal for numerical methods in fluids Vol. 67; no. 12; pp. 2130 - 2140
• Main Authors: Karimian, S. M. H., Izadi, S., Farimani, A. Barati
• Format: Journal Article
• Language: English
• Published: Chichester, UK John Wiley & Sons, Ltd 30.12.2011; Wiley
• Subjects: Computational methods in fluid dynamics; Exact sciences and technology; Fluid dynamics; Fundamental areas of phenomenology (including applications); molecular dynamics; numerical simulation; periodic boundary condition; Physics; sampling and averaging; solution convergence; velocity measurement; Computational fluid dynamics; sampling and averaging; Digital simulation; Molecular dynamics method; Boundary conditions; Mean value; molecular dynamics; solution convergence; periodic boundary condition; Flow velocity; Modelling; Velocity measurement; numerical simulation
• ISSN: 0271-2091; 1097-0363
• DOI: 10.1002/fld.2487

In many particle‐based simulations, measurement of local mean flow velocity and other continuum‐based properties are of utmost importance. Macroscopic quantities, such as mean flow velocity, temperature, and density, can be estimated by averaging the corresponding microscopic behavior of the particl...