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Granular material flowing down an inclined chute: a molecular dynamics simulation
Thorsten Pöschel
To cite this version:
Thorsten Pöschel. Granular material flowing down an inclined chute: a molecular dynamics simulation.
Journal de Physique II, EDP Sciences, 1993, 3 (1), pp.27-40. �10.1051/jp2:1993109�. �jpa-00247811�
J,
phys.
II France 3(1993)
27-40 JANUARY 1993, PAGE 27Classification
Physics
Abstracts05.60 46.lo 02.60
Granular material flowing down
aninclined chute:
amolecular
dynamics simulation
Thorsten P6schel
HLRZ,
I(FAJfilich,
Postfach 1913, D-5170Jfilich, Germany
Humboldt-Universitit zu
Berlin,
FBPhysik,
Institut fir TheoretischePhysik,
Invalidenstrase 42, D-1040 Berlin,Germany
(Received
27July
1992,accepted
in final form 30September1992)
Abstract. Two-dimensional Molecular
Dynamics
simulations are used to model the free surface flow ofspheres falling
down an inclined chute. The interaction between theparticles
in our model is assumed to be subjected to the Hertzian contact force and normal as well as shear friction. The stream of
particles
shows a characteristicheight profile, consisting
oflayers
of different types of fluidization. The
numerically
observed flowproperties
agreequalitatively
with
experimental
results.1. Introduction.
Flows of
granular
material such as sand orpowder
revealmacroscopic
behaviour far from the behaviour offlowing liquids. Examples
ofastonishing
effects areheap
formation under vibration[1-9],
sizesegregation [10-12],
formation of convection cells[13-15]
anddensity
waves emitted from outlets[16, 17]
or from flowsthrough
narrowpipes [18]
and on surfaces[19-22]
and
displacements
inside shear cells[23-30].
For its exotic behaviourgranular
materials have been of interest tophysicists
over many decades.Recently highly sophisticated experimental investigations
were carried outconcerning
thetwc-dimensional free surface flow of
plastic spheres generated
in an inclinedglass-walled
chute[31].
The observed flows atsufficiently
low inclination consists oflayers
of differenttypes
offluidization. The flow
generally
can be divided into frictional and collisionalregions.
At least in the case of arough
bed the frictionalregion typically
consists of aquasi-static
zone at the bottom and above of the so calledblock-gliding
zone where blocks of coherentmoving particles
move
parallel
to the bed.In the current paper we want to
present
the results of our numericalinvestigations concerning
the
problem
mentioned above.Beginning
at an initial state ofparticle positions,
velocities andangular
velocities thedynamics
of thesystem
will be determinedby integrating
Newton'sequation
of motion for eachparticle
for all further timesteps.
In our case the forcesacting
upon the
particles
areexactly
known for eachconfiguration
of oursystem.
For this reason we have chosen a sixth orderpredictor-corrector
moleculardynamics
simulation[32]
for theevaluation of the
positions
of theparticles
and a fourth orderpredictor-corrector
method for the calculation of theparticles angular
movement to be theappropriate
numerical methods to solve ourproblem.
The
height profiles
of theparticle's velocities,
of theparticle density
and thesegregation
of theparticle
flow into differenttypes
of fluidization were the essentialpoints
of interest of ourinvestigations.
As shown below theproperties
of theparticle
flow variessensitively
with the smoothness of the bed surface. As we willdemonstrate,
the numerical results are inqualitative
accordance with the
experimental
data.2. Nuiuei~ical model.
The
system
consists of N = 400equal
twc-dimensionalspherical particles
with radius Rmoving
down a chute of
length
L= 50 R inclined
by
anangle
(tY= 10°
..30°)
which is assumed to haveperiodic boundary
conditions in the directionparallel
to the bed. Our results did notvary
qualitatively
with the number ofparticles provided
thatthey
areenough
toyield
reliable statistics(N
>250).
In simulations with moreparticles (N
=1000)
we observed the sameeffects,
theprofiles
of theaveraged particle density,
the clusterdensity
and theparticle velocity
became
slightly smoother,
while the calculation time rosesubstantially.
Infigure
I thesetup
of ourcomputer
simulations is drawn.periodic boundary
conditions
z x
ccelerqtiou
due toto
gravity
Fig-I- Computer experimental
setup.The
particles
were accelerated withrespect
to the acceleration due togravity (g
= -9.81m/s~,
the mass Al was set to
unity):
Fz
" M gcos(tY) ii)
F>,
= M gsin(tY) (2)
where
Fz
andFx
are the forcesacting
upon eachparticle
in the directions normal to the inclined chute andparallel
to itrespectively.
The surface of the chute was built up of smaller
spherical particles (Rs
" 0.66
R)
of thesame material as the
moving particles,
I-e- with the sameelasticity
and friction parameters.These
spheres
werearranged
at fixedpositions
eitherregularly
and closetogether
in order tosimulate a smooth bed or
randomly
out of the interval [2Rs;
2~
to simulatea
rough
bed(Fig. 2).
N°i GRANULAR IIATERIAL FLOWING DOWN AN INCLINED CHUTE 29
smooth bed rough bed
Fig.2. Rough
and smooth beds both consist out ofspheres
with diameter Rs " 0.66 R. In thecase of the smooth bed these
spheres
arearranged
closetogether
while in the case of therough
bedthey
arearranged irregularly.
To describe the interaction between the
particles
and between theparticles
and the bed weapplied
the ansatz described in[33]
andslightly
modified in[10]:
F;j
=l~~
~) ~ ~'
~~ °~
~)
~j
~~~~~ ~~ ~ ~ ~(3)
0 otherwise
with
FN
" EN(ri
+ rjix;
xj ()~.~ + 7NMe~ iii kj) (4)
and
Fs
=min(-7s Me~
vrej, ~
(FN() (5)
where
~rel "
Ii> RI
+R'(hi Al 16)
Me~= ~ ~
=
~
(7)
Mi+Mi
2The terms x;,
it, hi
andM;
denote the currentposition, velocity, angular velocity
andmass
of the ith
particle.
The model includes an elastic restoration force whichcorresponds
to themicroscopic assumption
that theparticles
can penetrateslightly
each other. In order to mimic three-dimensional behaviour this force rises with the power which is called "Hertzian contact force"[34].
The other ternls describe the energydissipation
of thesystem
due to collision betweenparticles according
to normal and shear friction. Theparameters
7N and 7s stand for the normal and shear friction coefficients.Equation (5)
takes into account the fact that theparticles
will not transfer rotational energy but slide upon each other in case the relativevelocity
at the contactpoint
exceeds a certain valuedepending
on the normalcomponent
of the forceacting
between theparticles (Coulomb-relation [35].
For all our simulations we have chosen the constantparameters
7N " 1000s~~,
7s" 300
s~~, kN
" 100
~~
and ~= 0.5. For
m
the
integration
timestep
we used At = 0.001s toprovide
numerical accuracy. Whendoubling
the time
step
wegot exactly
the same results.3. Results.
3.I INITiALizATiON. In tile
simulations,
theparticles
areplaced initially
on arandomly
disturbed lattice above the bed so that
they
do not touch each other at thebeginning.
In order to obtainperiodic boundary
conditions of the bed we have to fit thelength
of the bed in a way such that the center of the firstsphere
of the bed is at ~ = 0 and can reappear at z = LJOURNAL DE PHYSIQUE II T 3. N' I. JANUARY 1993 2
kinetic energy
E_TR
E ROT
25
20
15
io
5
0
0 50000 100000 150000 200000
time steps
Fig.3.
Evolution of the kinetic(transversal)
and rotational energy for theparticle
flow on a smooth bed. Thesharp
kink separates two diierentregimes
of theparticle
movement called the low energyregime
and thehigh
energyregime.
without
colliding
with itsneighbours. Suppose
thelength
of the chute was chosen to beLo
itwas fitted to L with L E
[Lo Lo
+Rs)
to holdperiodic boundary
conditions. Theparticles'
initial velocities were zero. After
starting
the simulation theparticles gain
kinetic energy sincethey
fall downfreely
without anycollisions,
I-e- withoutdissipation.
This is the reason for apeak
of the kinetic energy at the verybeginning
of the simulation.3.2 SAIOOTH BED. For the case of the smooth bed
figure
3 shows the kinetic energy of thesystem.
The chute was inclinedby
anangle
tY= 20°. The
curve shows a
significant
kinkwhich
separates
two differentregimes
of theparticle
movement as shown below. The numerical simulationsreported
in 3.2. and 3.3. run while theparticles
are accelerated due togravity,
their kinetic energy rises. After
waiting enough
time thesystem
comes into saturation and finds itssteady
state as we ~vill demonstrate in 3A, below. Infigure
4 asnapshot
of thegrains'
movement before the kink of the energy is
displayed.
The small line drawn within eachparticle
shows the direction and the amount of the
velocity
of theparticle,
itslength
was scaled due to the fastestparticle.
In all our sii~iulations the rotational energy isnegligible.
Infigure
3 theevolution of the rotational energy coincides with the tii~ie-axis.
As indexed
by
thevelocity
arrow drawn inside theparticles
the flux divides into the lower blockgliding
zone, wherenearly
all theparticles
movecoherently
with anequal velocity forming
a
single
block ofparticles.
Theparticles
whichbelong
to one block are drawn bold faced. Moreprecisely
toidentify
whichparticles
form a block weapplied
thefollowing
rule: each twoparticles moving
in theneighbourhood ((ri
rj <R)
for a time of at least 5000 timesteps
whichcorresponds
to a covered distance of(10. 30)
Rapproximately belong
to the sameN°i GRANULAR MATERIAL FLOWING DOWN AN INCLINED CHUTE 31
FigA. Snapshot
after 90.000timesteps
within the low energyregime.
Particles whichbelong
to a cluster are drawn bold faced. Allgrains
at the bottom(h
<100)
form onelarge
block.Only
few of them above the blockbelong
to clusters.block. If I was chosen very small
11
<2.I)
then even very small elasticalbouncing
of twoneighbouring particles
leads to the wronginterpretation
that theparticles
are notneighboured
anymore while two
particles moving
with a small relativevelocity
were detected tobelong
to a cluster when was chosen toolarge.
With the value = 2.2 wegot
correct results. As visible thegrains
in the lowerpart
movecoherently
as a block in the case of low energy distinct from thehigh
energy behaviour as shown below infigure
8. The upperparticles
moveirregularly.
Figures 5,
6 and 7 show theparticle-density, velocity
in horizontal direction due to the bed andcluster-density depending
on the vertical distance from the bed hcorresponding
to thesnapshot given
infigure
4.The
velocity
distribution in horizontal directionseparates
into tworegions,
the lowerparticles including
the block and thegrains
close to the block move withnearly
the samevelocity.
Theparticles
on the surface of the flow move withlarger velocity.
There is asharp
transition between the velocities ofparticles
whichbelong
to the block and thegrains moving
at the surface. The term clusterdensity
means theportion
ofparticles
whichbelong
to one of the clusters. The clusterdensity
as a function of the distance from the bed h does not vary from the bed to thetop
of the block and lowers thenfastly
asexpected
from thesnapshot (Fig. 4)
because there are almost no smaller clusters
except
the block. The velocities infigure
6 havenegative sign
because theparticles
move from theright
to the left I-e- innegative
direction.As
pointed
out above thesharp
kink of the energy infigure
3corresponds
to differentregimes.
Figures
8- ii areanalogous
tofigures
4-7 for asnapshot
short time after the transition into thehigh velocity regime
at timestep
110.000.h
~~~
OOO~
OO%o&ooo o o oo o~$~od~
~~o%°o$
/
o o o o
o~$~~~
O'*$o
o
oo~p~
Q@150
l~~~
4~o$yo~ @o
o@$~
°~°°
WW(
og g#p
~oo o
oW§~w
°4o~~j~$ooo
5°
'$~oo
o~
~o 8 °
o~~oo
~ ~ o o
~ ~ o
~ ~ ~ ~ O °
0 particle density (normalizedl 1
Fig-S-
Particledensity depending
on the vertical distance from the bed h(low
energyregime).
Within the block the
partical density
does not vary.h
250
200
o
iso
ioo
50
o o
0 horizontal velocity (normalizedl 1
Fig.6. Averaged
horizontalvelocity (low
energyregime).
Thegrains
whichbelong
to the blockmove with equal
velocity,
I-e- there isreally only
one block but not different blocksgliding
on each other. Thevelocity changes desultory
at the upperboundary
ofthe block(h
m100),
the freemoving
particles
are 1.3 to i-s times as fast as the block.N°i GRANULAR &IATERIAL FLOWING DOWN AN INCLINED CIIUTE 33
h
250
200
150
oo~
~ ~
~j~~l~°'9Q~~*
»~"~o
o o oo o ooo~~
~ ~ ~ ~ ~
~~mmo
o o
loo
50
o o
0 cluster density (normalizedl 1
Fig.7.
Clusterdensity (low
energyregime).
Above the block the clusterdensity
vanishes. Thereare almost no
particles
whichbelong
to a cluster except of the block at the bed.o
~~o Q
~oo
~~&
sm°°~~
~o
o
Fig.8. Snapsliot
after l10.000timesteps
in thehigh
energyregime.
The block(Fig. 4) separated
withina
relatively
short time into manyindependently moving
smaller clusters. The rest of the block lies still close to the bed. It also vanishes aftersome time.
h
200
o o oo~~~~
m~~~
oum~~
15°
~'~~°°
°Qt%~d~
w~$°&
~~o~ ~
~p ~o~oj
~ ioo
~na v j (Roo&
ooc q~O~[°~OiW
~~~j°9*
°S~~j~
50
&
~ W
~~~
~ o
a~~8%qt°° /
°~
o ° o o o o o o
iiiim
0 particle density (normalized) 1
Fig.9.
Particledensity depending
on the vertical distance from the bed h(high
energyregime).
Although
theproperties
of the flow are very different from the flow in the low energyregime
theprofile
of the
particle
density differs notsignificantly.
If the energy rises over a critical value while the
grains
move accelerated due togravity
the
particle
flow does not anylonger
divide into the block and the freemoving particles
but the block
separates
intoindependently moving
smaller clusters. This transition occurs within a short energy interval whichcorresponds
to a short time from thebeginning
of thesimulation. As shown in
figure
9 thedensity
as a function of the distance from the bed h variesonly slightly
from the same function at low energy(Fig. 6).
Nevertheless theprofile
of the horizontalvelocity (Fig, 10)
differssignificantly
from thecorresponding profile
in the low energyregime (Fig. 6).
Thevelocity
of thegrains
risescontinually
from the bed to thetop
of thepartical
flow. Theprofile
of the horizontalvelocity
shows the transition into anotherregime
of movement. Between the small block ofgrains
near the chute and thefreely moving particles
in the collisional zone there is aregion
with anapproximately
constant clusterdensity (Fig.ll).
This behaviour is also observed in theexperiment [31]. Neighbouring
clusters move with relative velocities between each other.3.3 ROUGH BED. In this section we want to discuss the results of the simulations with the
same set of
parameters
as in theprevious
section but with therough
bed. As shown infigure 12,
theenergy-tii~ie-diagram
for this case does not show the same behaviour as for the case of therough
bed but hasroughly
aparabolic shape.
Thisshape
is maintainedqualitatively
over along
timecorresponding
to a wide range of kinetic energy of theparticles
until the kinetic energy coi~ies into theregion
of saturation. Theproblem
of energy saturation will be discussed in more detail in section 3A.Corresponding
to theprevious section, figure
13 shows asnapshot
of atypical
situation of theflow, figures
14-16 sho~v theparticle-density,
theaveraged velocity
in horizontal directionN°I GRANULAR IIATERIAL FLOiVING DOWN AN INCLINED CHUTE 35
h
250
o 200
~ o
iso
ioo
50
o o
0 horizontal velocity (normalizedl 1
Fig,10. Averaged
horizontalvelocity (high
energyregime).
It is the most noticeable index to the fact that theparticle
flowchanged
into an otherregime.
and the
cluster-density
as a function of the distance from the bed h.The
snapshot figure
13 shows the situation as itcan be observed over a wide range of energy values. These
layers
were foundexperimentally [31].
The flow divides into three differentzones
(Fig. IS)
the slowparticles
close to the chute whosevelocity
risescontinously
with thedistance from the chute
h,
theparticles
in the blockgliding
zone which haveapproximately
the same
velocity
and a few fastmoving particles
in the collisional zone at thetop
of the flow.Also
figure
16 showsevidently
that the flow divides into threeregions
of differenttypes
of fluidization. The slowparticles
close to the bed and the fastparticles
in the collisional zoneare
separated by
a zone, where clusters occur. This zone we call blockgliding
zone. It was firstinvestigated experimentally
in[31].
3.4 STEADY STATE. The nui~ierical
experiments
shown above wereperformed
in the accel- eratedregime.
Since our model includes friction thesystem
will of course reach asteady
state afterwaiting
along enough
time. For theparameter
sets we used in the simulationsabove,
thissteady
state is incident to veryhigh particle
velocities. To obtain numerical accurate results in thesteady
stateregime
therefore one has to choose a veryhigh
time resolution I.e. a verysmall tii~ie
step
hi. Hence thecomputation
time risesstrongly
with the kinetic energy of thesystem.
To demonstrate that our model is able to reach the
steady
stateregime
we have chosen theangle
of inclination tY = 10° and the timestep
At = 0.001 s.Figure
17 shows the evolution of the energy of thesystem
as a function of time.h
200
iso
°°O°°°°°m°
°
+M+°Q~h
~o o oar
~_
*Wom~~ogqoo°
~~~~o@V°
°~~ioo
~OS°
o o
~y
o ° ° ° °
~~ o#
~ ~ooo
4°~f~~
~
ooooo>oww_o
wo
om~_~
50
o o
0 cluster density (normalized) 1
Fig.ll.
Clusterdensity (high
energyregime).
Between the rest of the blockgliding
on the chute and the freemoving particles
on the top of the flow lies aregion
of constantcluster-density.
4. Discussion.
The flow of
granular
material on the surface of an inclined chute wasinvestigated through
atwc-dimensional molecular
dynamics
simulation. For the case of a smooth bed simulatedby regularly arranged
smallspheres
on the surface of the chute we found twoqualitatively
differentregimes
ofparticle
movementcorresponding
to low andhigh
kineticenergies.
Thevelocity
aswell as the
density profiles
agree withexperimental
results[31].
For the case of therough
bedwe did not find such a behaviour. As in the case of the smooth bed the
density
andvelocity profiles
agree with the measured data. In both cases we observed a coherent motion of groups ofgrains,
so calledclusters,
which has also been observed in theexperiment.
Ofparticular
interest seenls to us the fact that the behaviour of the flow on a chute with
regular (smooth)
surface differs
significantly
from the flow on a chute withirregular (rough)
surface.By simulating
asystem
with a si~ialler inclinationangle
we gave evidence that our numerical model is able to reach asteady
state at a constant kinetic energy.The numerical results show that our two dimensional ansatz for the force
acting
on thegrains
which does not include static friction is able to describe the
experimentally
measured scenarioqualitatively correctly
for thesystem
considered.Acknowledgements.
The author wants to express his
gratitude
to Hans Ilerrmann for the invitation to the HLRZ of the KFA Jiilicli and to him as well as to StefanSokolowski
for many fruitful andpatient
discus- sions. I thank Gerald Ristow for hissupport concerning
the technicalproblenls
of MolecularDynamics.
N°I GRANULAR IIATERIAL FLOiVING DOWN AN INCLINED CHUTE 37
kinetic energy
E_TR E_ROT
25
20
15
io
5
0
0 50000 100000 150000 200000
time steps
Fig,12.
Evolution of the kinetic(transversal)
and rotational energy for the case of therough
bed.The energy shows
no kink as in the flow on the smooth bed
(Fig. 4)
but itsshape
is close toparabolic
over a wide range.
~oo
~o
~oo
~o o
o
Fig.13. Snapshot
after 80.000timesteps.
As infigure
4 theparticles
whichbelong
to one of the blocks are drawn bold.h
200
° °°°°°
°f&oowu
o o
o~o~pop
*~i°~6ij
150
~a~o
°~'~
°°~
ioo
a~~
o~
50
°W
~°°°~io$*°
~~oo°g
%4°~O~O
oftj$"
o ~o o o o o o o o o o oooo
0 particle density (normalized) 1
Fig.14.
Particledensity depending
on the vertical distance from the bed h. It shows no very different behaviour than thecorresponding figures (Figs. 5,9)
for the case of the smooth bed.h
250
200
o
iso
ioo
50
o o o o
o oco
o~~
0 horizontal velocity (normalized) 1
Fig,
lb-Averaged
horizontalvelocity.
The flow consists of diierentregions:
the slowparticles
close to the chute, the blockgliding
zone and the collisional zonenear the top of the flow. The
velocity
risescontinually
with the distance from the bed h.N°I GRANULAR MATERIAL FLOWING DOWN AN INCLINED CHUTE 39
h
250
200
150
~~~
~ ~ ~ ~ ~ ~ ~ ~~ ~
~~~~~~~°°°°°°j#~
~
~~l~f8qw
*°"~i~o~o
o o o
~ woo o
100
~
/$
~ o oo~
~fll~gq~~
~o oo O ° °
O~~°~
~~~5°
~ ~
~~oo~l4"
o
0 cluster density (normalizedl 1
Fig.16.
Clusterdensity.
There isa zone of
significiant higher
clusterdensity.
Thisregion
will be called blockgliding
zone.kinetic energy
1 8 E_ROT
1.6
1 4
1 2
1
o s
0.6
0.4
0.2
0
0 50000 100000 150000 200000 250000 300000 350000 400000
time steps
Fig.17.
Saturation of the kinetic energy afterlong
time for a flow ofparticles
down a chute whichwas inclined
by
anangle
of a= lo°
only.
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