:orphan:

.. status publishable
.. product Surface Tension
.. sectionauthor Dave
.. SME Dave
.. PR Naida
.. TW Kathy
.. date 2018

.. _LAMMPSSurfaceTensionDTS:

|medea| |surfacetension| - Ease the Tension in Surface/Interfacial Tension Calculations
---------------------------------------------------------------------------------------

.. admonition:: **At-a-Glance**

   The  |medea|\ :sup:`®`\ [#TM]_ *Surface Tension* module enables users to compute the surface and interfacial
   tension of a range of liquids, molten materials, and interfaces.

   The underlying methodology computes the the difference between the average time of
   the stress components perpendicular and tangential to a liquid simulation slab.

   **Key Benefits**

   * Provides automated setup, execution, and analysis of LAMMPS molecular dynamics simulations for
     surface and interfacial tension calculations

   * Handles model construction and assignment of forcefield atom types and charges in
     one unified environment so there is no need to use external tools

   * Performs analysis of surface/interfacial tension with graphs showing
     convergence for a given simulation


Computational Characteristics
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

* |medea| |surfacetension| module uses the LAMMPS classical molecular dynamics engine for efficient performance
  on computers from scalar workstations to massively parallel supercomputers.

* Accuracy depends on the quality of the employed forcefield.
  Use any of the supported forcefields in |medea|, import forcefields from literature, or even develop
  your own with |medea| Forcefield Optimizer.

* Works seamlessly with high-throughput techniques enabled by |medea| |htlaunchpad| module to
  screen large number of design options of interfaces before committing to experiments.


.. figure:: /Datasheets/images/surface_tension_3.png
   :width: 3.4in
   :align: center

   Interfacial tension of water/isohexane, water/toluene, and water/dodecane interfaces from
   |medea| Surface Tension module using pcff+ forcefield compared to experimental values

:myquote:`The Medea Surface Tension module provides automated preparation, execution, and analysis
of surface tension calculations - so you can focus on the science`


Required Modules
^^^^^^^^^^^^^^^^

* |medea| |menvironment|
* |medea| |mlammps| |mstdenv|
* |medea| |surfacetension|

Recommended Modules
^^^^^^^^^^^^^^^^^^^

* |medea| |amorphousbuilder|
* |medea| |diffusion|
* |medea| |thermalconductivity|
* |medea| |viscosity|
* |medea| |ffo|
* |medea| |htlaunchpad|


Find Out More
^^^^^^^^^^^^^

Learn more about the |medea| |surfacetension| module from our |tutorials| page or by contacting info@materialsdesign.com:

* Interfacial Tension of Water and Organic Solvent Interfaces


.. [#TM] |regTMinfo|


.. only:: html

   :download: :download:`pdf </Datasheets/Datasheet-LAMMPSSurfaceTension.pdf>`