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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9064 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-11-14 16:08:42 +00:00
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14
doc/fix_thermal_conductivity.html
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@ -91,9 +91,17 @@ number.
swaps is computed by the fix and can be output. Dividing this swaps is computed by the fix and can be output. Dividing this
quantity by time and the cross-sectional area of the simulation box quantity by time and the cross-sectional area of the simulation box
yields a heat flux. The ratio of heat flux to the slope of the yields a heat flux. The ratio of heat flux to the slope of the
temperature profile is the thermal conductivity of the fluid, temperature profile is proportional to the thermal conductivity of the
in appopriate units. See the <A HREF = "#Muller-Plathe">Muller-Plathe paper</A> for fluid, in appropriate units. See the <A HREF = "#Muller-Plathe">Muller-Plathe
details. paper</A> for details.
</P>
<P>IMPORTANT NOTE: If your system is periodic in the direction of the
heat flux, then the flux is going in 2 directions. This means the
effective heat flux in one direction is reduced by a factor of 2. You
will see this in the equations for thermal conductivity (kappa) in the
Muller-Plathe paper. LAMMPS is simply tallying kinetic energy which
does not account for whether or not your system is periodic; you must
use the value appropriately to yield a kappa for your system.
</P> </P>
<P>IMPORTANT NOTE: After equilibration, if the temperature gradient you <P>IMPORTANT NOTE: After equilibration, if the temperature gradient you
observe is not linear, then you are likely swapping energy too observe is not linear, then you are likely swapping energy too

14
doc/fix_thermal_conductivity.txt
View File

@ -81,9 +81,17 @@ As described below, the total kinetic energy transferred by these
swaps is computed by the fix and can be output. Dividing this swaps is computed by the fix and can be output. Dividing this
quantity by time and the cross-sectional area of the simulation box quantity by time and the cross-sectional area of the simulation box
yields a heat flux. The ratio of heat flux to the slope of the yields a heat flux. The ratio of heat flux to the slope of the
temperature profile is the thermal conductivity of the fluid, temperature profile is proportional to the thermal conductivity of the
in appopriate units. See the "Muller-Plathe paper"_#Muller-Plathe for fluid, in appropriate units. See the "Muller-Plathe
details. paper"_#Muller-Plathe for details.
IMPORTANT NOTE: If your system is periodic in the direction of the
heat flux, then the flux is going in 2 directions. This means the
effective heat flux in one direction is reduced by a factor of 2. You
will see this in the equations for thermal conductivity (kappa) in the
Muller-Plathe paper. LAMMPS is simply tallying kinetic energy which
does not account for whether or not your system is periodic; you must
use the value appropriately to yield a kappa for your system.
IMPORTANT NOTE: After equilibration, if the temperature gradient you IMPORTANT NOTE: After equilibration, if the temperature gradient you
observe is not linear, then you are likely swapping energy too observe is not linear, then you are likely swapping energy too

14
doc/fix_viscosity.html
View File

@ -92,9 +92,17 @@ sense. This is why <I>Nbin</I> is restricted to being an even number.
swaps is computed by the fix and can be output. Dividing this swaps is computed by the fix and can be output. Dividing this
quantity by time and the cross-sectional area of the simulation box quantity by time and the cross-sectional area of the simulation box
yields a momentum flux. The ratio of momentum flux to the slope of yields a momentum flux. The ratio of momentum flux to the slope of
the shear velocity profile is the viscosity of the fluid, in the shear velocity profile is proportional to the viscosity of the
appopriate units. See the <A HREF = "#Muller-Plathe">Muller-Plathe paper</A> for fluid, in appropriate units. See the <A HREF = "#Muller-Plathe">Muller-Plathe
details. paper</A> for details.
</P>
<P>IMPORTANT NOTE: If your system is periodic in the direction of the
momentum flux, then the flux is going in 2 directions. This means the
effective momentum flux in one direction is reduced by a factor of 2.
You will see this in the equations for viscosity in the Muller-Plathe
paper. LAMMPS is simply tallying momentum which does not account for
whether or not your system is periodic; you must use the value
appropriately to yield a viscosity for your system.
</P> </P>
<P>IMPORTANT NOTE: After equilibration, if the velocity profile you <P>IMPORTANT NOTE: After equilibration, if the velocity profile you
observe is not linear, then you are likely swapping momentum too observe is not linear, then you are likely swapping momentum too

14
doc/fix_viscosity.txt
View File

@ -81,9 +81,17 @@ As described below, the total momentum transferred by these velocity
swaps is computed by the fix and can be output. Dividing this swaps is computed by the fix and can be output. Dividing this
quantity by time and the cross-sectional area of the simulation box quantity by time and the cross-sectional area of the simulation box
yields a momentum flux. The ratio of momentum flux to the slope of yields a momentum flux. The ratio of momentum flux to the slope of
the shear velocity profile is the viscosity of the fluid, in the shear velocity profile is proportional to the viscosity of the
appopriate units. See the "Muller-Plathe paper"_#Muller-Plathe for fluid, in appropriate units. See the "Muller-Plathe
details. paper"_#Muller-Plathe for details.
IMPORTANT NOTE: If your system is periodic in the direction of the
momentum flux, then the flux is going in 2 directions. This means the
effective momentum flux in one direction is reduced by a factor of 2.
You will see this in the equations for viscosity in the Muller-Plathe
paper. LAMMPS is simply tallying momentum which does not account for
whether or not your system is periodic; you must use the value
appropriately to yield a viscosity for your system.
IMPORTANT NOTE: After equilibration, if the velocity profile you IMPORTANT NOTE: After equilibration, if the velocity profile you
observe is not linear, then you are likely swapping momentum too observe is not linear, then you are likely swapping momentum too