fix_modify AtC transfer thermal control <control_type> <optional args="">
- control_type (string) = none | rescale | hoover | flux
fix_modify AtC transfer thermal control rescale <frequency>
- frequency (int) = time step frequency for applying velocity rescaling
fix_modify AtC transfer thermal control hoover
fix_modify AtC transfer thermal control flux <boundary_integration_type> <face_set_id(optional)>
- boundary_integration_type (string) = faceset | interpolate
- face_set_id (string), optional = id of boundary face set, if not specified (or not possible when the atomic domain does not line up with mesh boundaries) defaults to an atomic-quadrature approximate evaulation, does not work with interpolate
fix_modify AtC transfer thermal control none
fix_modify AtC transfer thermal control rescale 10
fix_modify AtC transfer thermal control hoover
fix_modify AtC transfer thermal control flux bndy_faces
Sets the energy exchange mechansim from the finite elements to the atoms, managed through a control algorithm. Rescale computes a scale factor for each atom to match the finite element temperature. Hoover is a Gaussian least-constraint isokinetic thermostat enforces that the nodal restricted atomic temperature matches the finite element temperature. Flux is a similar mode, but rather adds energy to the atoms based on conservation of energy. Hoover and flux allows the prescription of sources or fixed temperatures on the atoms.
only for be used with specific transfers : thermal (rescale, hoover, flux), two_temperature (flux)
rescale not valid with time filtering activated
none
rescale frequency is 1
flux boundary_integration_type is interpolate
Generated on Mon Aug 17 09:35:16 2009 for ATC by
1.3.9.1