diff --git a/doc/Eqs/fix_wall_lj1043.jpg b/doc/Eqs/fix_wall_lj1043.jpg new file mode 100644 index 0000000000..303743bf3e Binary files /dev/null and b/doc/Eqs/fix_wall_lj1043.jpg differ diff --git a/doc/Eqs/fix_wall_lj1043.tex b/doc/Eqs/fix_wall_lj1043.tex new file mode 100644 index 0000000000..8ef981ca97 --- /dev/null +++ b/doc/Eqs/fix_wall_lj1043.tex @@ -0,0 +1,12 @@ +\documentstyle[12pt]{article} + +\begin{document} + +$$ + E = 2 \pi \epsilon \left[ \frac{2}{5} \left(\frac{\sigma}{r}\right)^{10} - + \left(\frac{\sigma}{r}\right)^4 - + \frac{\sqrt(2)\sigma^3}{3\left(r+\left(0.61/\sqrt(2)\right)\sigma\right)^3}\right] + \qquad r < r_c +$$ + +\end{document} \ No newline at end of file diff --git a/doc/fix_wall.html b/doc/fix_wall.html index bac3e55692..7b3762f5ab 100644 --- a/doc/fix_wall.html +++ b/doc/fix_wall.html @@ -13,6 +13,8 @@
For style wall/lj1043, the energy E is given by the 10/4/3 potential: +
+
+For style wall/colloid, the energy E is given by an integrated form of the pair_style colloid potential:
@@ -115,16 +121,18 @@ can specify formulas with various mathematical functions, and include box parameters and timestep and elapsed time. Thus it is easy to specify a time-dependent wall position. See examples below. -For the wall/lj93 and wall/lj126 styles, epsilon and sigma are -the usual Lennard-Jones parameters, which determine the strength and -size of the particle as it interacts with the wall. Epsilon has -energy units. Note that this epsilon and sigma may be different -than any epsilon or sigma values defined for a pair style that -computes particle-particle interactions. +
For the wall/lj93 and wall/lj126 and wall/lj1043 styles, +epsilon and sigma are the usual Lennard-Jones parameters, which +determine the strength and size of the particle as it interacts with +the wall. Epsilon has energy units. Note that this epsilon and +sigma may be different than any epsilon or sigma values defined +for a pair style that computes particle-particle interactions.
The wall/lj93 interaction is derived by integrating over a 3d half-lattice of Lennard-Jones 12/6 particles. The wall/lj126 interaction is effectively a harder, more repulsive wall interaction. +The wall/lj1043 interaction is yet a different form of wall +interaction, described in Magda et al in (Magda).
For the wall/colloid style, R is the radius of the colloid particle, D is the distance from the surface of the colloid particle @@ -292,4 +300,10 @@ being minimized), you MUST enable the fix_modify
The option defaults units = lattice, fld = no, and pbc = no.
+(Magda) Magda, Tirrell, Davis, J Chem Phys, 83, 1888-1901 (1985). +