2D Molecular dynamics

Oil and Water

Defining input and output controls for a model.

The slider that controls temperature and the numeric output displaying gas volume are defined in JSON in the Interactive that wraps this model.

Temperature-Volume Relationship

Using macroscopic units

Normally the MD2D engine uses units of femto-seconds and nano-meters however this Interactive is setup to use an optional mks unitsScheme.


Electric fields

The electric field around the atoms can be displayed

Amount of Charge


Useful general pages on this work:

MD2D a 2D Molecular Dynamics simulation is the first and most extensive model-type implemented in the Lab framework.

The MD2D engine is a re-implementation of elements of the Java application Molecular Workbench originally created by Charles Xie at the Concord Consortium.

Molecular Dynamics Documentation/Support