Development of a Web-based Molecular Dynamics Virtual Flow Laboratory

J.J. Leary (UK)


Molecular   dynamics,   education,   visualisation,   internet base, flow simulation. 1.


This   paper   describes   a   project   to   develop   a   virtual laboratory   for   flow   visualisation   and   analysis   for education   based   on   hard­spheres   molecular   dynamics simulation methods. The paper makes enhancements to existing   molecular   dynamics   simulations,   enabling streamlines, flow velocities, forces and pressures to be measured and observed, and presents a novel model for wall friction which achieves the no­slip condition. Objects of any shape can be placed within the volume. Issues of computation time and implementation over the internet as web   server­based   or   client­based   applications   are discussed.  The aim of the virtual lab is educational, to make   it   easy   for   students   to   perform   simple  what­if experiments,   and   understand   fluid   flow   concepts,   and relation   between   micro­   and   macro­level   flows,   and possibly to be used as a precursor to more complicated computational fluid dynamics packages.

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