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multiscale
lammps
Commits
de69e245
Commit
de69e245
authored
6 years ago
by
Trung Nguyen
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Added replies to Steve's questions
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d2378883
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doc/src/pair_body_rounded_polygon.txt
+5
-3
5 additions, 3 deletions
doc/src/pair_body_rounded_polygon.txt
doc/src/pair_body_rounded_polyhedron.txt
+7
-3
7 additions, 3 deletions
doc/src/pair_body_rounded_polyhedron.txt
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12 additions
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6 deletions
doc/src/pair_body_rounded_polygon.txt
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5
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de69e245
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@@ -71,7 +71,8 @@ cohesive interactions? If so, this should be explained up above.
But an additional confusion is that the specied cutoff (Rc in diagram?)
is a single number, but depedning on the orientiation of the 2
particles they might have a suface/surface overlap at a much
smaller value of Ri + Rj. So what is Rc then?
smaller value of Ri + Rj. So what is Rc then? - I added
the following paragraph to address this.
Note that F_n and F_t are functions of the surface separation
\delta_n = d - (R_i + R_j).
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@@ -100,8 +101,9 @@ k_n (energy/distance^2 units)
k_na (energy/distance^2 units) :ul
Effectively, k_n and k_na are the slopes of the red lines in the plot
above for force versus distance, for r < 0 and 0 < r < rc
respectively. TRUNG: is this sentence correct?
above for force versus surface separation, for \delta_n < 0 and 0 < \delta_n < r_c
respectively. (TRUNG: is this sentence correct? - it should read delta_n,
instead of r)
TRUNG: reminder to copy any change in this file
to the pair polyhedron file as well (and vice versa)
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doc/src/pair_body_rounded_polyhedron.txt
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de69e245
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@@ -46,7 +46,10 @@ this paragraph would make more sense in the body.txt file about how to
create a model that includes non-body particles (spheres). And in
this pair style file just a couple lines about which part of the
interactions this pair style computes. Ditto in the pair body polygon
file.
file. - The pair style supports body/sphere and sphere/sphere
given that all the atoms should be of body rounded/polyhedron.
I updated the above paragraph and added examples in body.txt for
specifying the special objects (i.e. spheres and rods).
This pairwise interaction between the rounded polyhedra is described in
"Wang"_#Wang, where a polyhedron does not have sharp corners and
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@@ -94,8 +97,9 @@ k_n (energy/distance^2 units)
k_na (energy/distance^2 units) :ul
Effectively, k_n and k_na are the slopes of the red lines in the plot
above for force versus distance, for r < 0 and 0 < r < rc
respectively. TRUNG: is this sentence correct?
above for force versus surface separation, for \delta_n < 0 and 0 < \delta_n < r_c
respectively. (TRUNG: is this sentence correct? - it should read delta_n,
instead of r)
[Mixing, shift, table, tail correction, restart, rRESPA info]:
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