Commit 94ebde04 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15722 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 720c352a

examples/README

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@@ -74,6 +74,7 @@ eim: NaCl using the EIM potential 
ellipse:  ellipsoidal particles in spherical solvent, 2d system

flow:	  Couette and Poiseuille flow in a 2d channel

friction: frictional contact of spherical asperities between 2d surfaces

granregion: use of fix wall/region/gran as boundary on granular particles

hugoniostat: Hugoniostat shock dynamics

indent:	  spherical indenter into a 2d solid

kim:      use of potentials in Knowledge Base for Interatomic Models (KIM)

examples/granregion/in.granregion.box

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# pouring spheres into container box



units		lj

atom_style      sphere

boundary        f f f

dimension	3

comm_modify     vel yes



region          box block -10 10 -10 10 -10 10 units box

create_box      2 box



pair_style	hybrid gran/hooke 4000.0 NULL 100.0 NULL 0.5 1

pair_coeff	* * gran/hooke



region          container block -6 6 -6 6 -6 6 units box

fix		container all wall/gran/region hooke/history &

		4000.0 NULL 100.0 NULL 0.5 1 region container



neighbor	0.3 bin

neigh_modify	delay 0 every 1 check yes



fix             2 all nve/sphere

fix		3 all gravity 1.0 vector 0 0 -1



region          slab block -2 2 -2 2 -2 2 units box

fix             ins all pour 100 2 4767548 vol 0.4 10 &

	        diam one 1.0 region slab ignore



timestep	0.005



compute         1 all temp

compute_modify  1 dynamic yes



compute         2 all temp/sphere

compute_modify  2 dynamic yes



thermo		100

thermo_style	custom step atoms temp c_1 c_2 press

thermo_modify   lost ignore

compute_modify  thermo_temp dynamic yes



#dump		2 all image 100 image.*.jpg type type &

#		zoom 1.4 adiam 1.0 box no 0.0 axes yes 0.9 0.03

#dump_modify	2 pad 5



run	        5000



region          container delete

variable        theta equal (step-5000)*(4.0*PI/5000)

region          container block -6 6 -6 6 -6 6 units box &

                rotate v_theta 0 0 0 0 0 1

run	        5000



region          container delete

region          container block -6 6 -6 6 -6 6 units box

run             5000



region          container delete

variable        theta equal (step-15000)*(4.0*PI/5000)

region          container block -6 6 -6 6 -6 6 units box &

                rotate v_theta 0 0 0 1 1 1

run	        5000



region          container delete

region          container block -6 6 -6 6 -6 6 units box

run             5000

examples/granregion/in.granregion.funnel

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# pour particles into cone-shaped funnel, settle them, let them run out bottom



variable	name string funnel_pour



thermo_modify	flush yes

units 		si  

variable	PI equal 3.141592653589

variable	seed equal 14314



###############################################

# Geometry-related parameters

###############################################



variable	xlo equal 10

variable	xhi equal 40

variable	ylo equal 10

variable	yhi equal 40

variable	zlo equal -20

variable	zhi equal 50



variable	xc equal 25

variable	yc equal 25



variable	zconehi equal 50

variable	zconelo equal 10

variable	zcyllo equal 0

variable	radconelo equal 2

variable	radconehi equal 20



################################################

# Particle sizes

################################################



variable	rlo equal 0.25 

variable	rhi equal 0.5

variable	dlo equal 2.0*${rlo}

variable	dhi equal 2.0*${rhi}



variable 	skin equal ${rhi}



###############################################

# Granular contact parameters

###############################################



variable	coeffRes equal 0.1

variable	coeffFric equal 0.5



variable	density equal 1.0

variable	EYoung equal 10^5

variable 	Poisson equal 2.0/7.0

variable	GShear equal ${EYoung}/(2*(1+${Poisson})) 



variable	gravity equal 1.0



variable	reff equal 0.5*(${rhi}+${rlo})

variable	meff equal ${density}*4.0/3.0*${PI}*${reff}^3

variable	min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}

variable	max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}



## Typical way to set kn, kt, etc.:

variable        kn equal 4.0*${GShear}/(3*(1-${Poisson}))

variable        kt equal 4.0*${GShear}/(2-${Poisson})



variable	a equal (-2.0*log(${coeffRes})/${PI})^2

variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))

variable        gamma_t equal ${gamma_n}*0.5



variable	tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)



variable	dt equal ${tcol}*0.05

timestep	${dt}



###############################################

variable	dumpfreq equal 1000

variable	logfreq equal 1000



newton 		off

atom_style	sphere



boundary	p p f



region		boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}

create_box	1 boxreg



pair_style	gran/hertz/history &

		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1

pair_coeff	* *



neighbor        ${skin} bin

thermo 		${logfreq}



comm_style	brick

comm_modify 	mode multi group all vel yes

balance		1.1 shift xyz 20 1.1

fix		bal all balance 10000 1.1 shift xyz 20 1.01



####################### Options specific to pouring #########################



# insertion region for fix/pour



region	     	insreg cylinder z ${xc} ${yc} 10 30 50 side in units box



# define cone and cylinder regions - see lammps doc on region command

# note new open options



region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} &

		${zcyllo} ${zconelo} side in units box &

		open 2 #Top is open

		

region		conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} &

		${zconelo} ${zconehi} side in units box & 

		open 1 open 2 #Bottom and top are open



region		hopreg union 2 conereg cylreg



fix		grav all gravity ${gravity} vector 0 0 -1

fix		1 all nve/sphere





fix		hopper3 all wall/gran/region hertz/history &

                ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg



fix		ins all pour 2000 1 42424 region insreg &

		diam range ${dlo} ${dhi} dens ${density} ${density}



#dump		1 all custom ${dumpfreq} ${name}.dump &

#		id type mass diameter x y z



#dump		2 all image 4000 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30 zoom 3.0 &

#                box no 0.0 axes no 0.0 0.0

#dump_modify	2 pad 6



thermo_style	custom step cpu atoms ke

thermo_modify	flush yes lost warn



# Initial run to fill up the cone



run		20000 

unfix 		ins

run		150000



# remove "plug" - need to redefine cylinder region & union



region	  	cylreg delete

region		hopreg delete

region	    	cylreg cylinder z ${xc} ${yc} ${radconelo} &

		${zcyllo} ${zconelo} side in units box &

		open 1 open 2 #Bottom & top are open



region		hopreg union 2 cylreg conereg



unfix		hopper3

fix		hopper3 all wall/gran/region hertz/history &

		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg



run		100000

examples/granregion/in.granregion.mixer

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variable	name string mixer



thermo_modify	flush yes

variable	seed equal 14314



###############################################

# Particle parameters

################################################



variable	rlo equal 0.3

variable	rhi equal 0.6

variable	dlo equal 2.0*${rlo}

variable	dhi equal 2.0*${rhi}

variable 	skin equal ${rhi}



variable	coeffRes equal 0.1

variable	coeffFric equal 0.5



variable	kn equal 10^5

variable	kt equal 0.2*${kn}



variable	gravity equal 1.0

variable	density equal 1.0



variable	min_mass equal ${density}*4.0/3.0*PI*${rlo}*${rlo}*${rlo}

variable	a equal (-2.0*log(${coeffRes})/PI)^2

variable        gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))

variable        gamma_t equal ${gamma_n}*0.5



variable	tcol equal PI/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)



variable	dt equal ${tcol}*0.02

timestep	${dt}



###############################################



variable	dumpfreq equal 1000

variable	logfreq equal 1000



newton 		on

atom_style	sphere



boundary	p p f



region		boxreg block 0 20 0 20 0 20

create_box	1 boxreg



pair_style	gran/hertz/history &

		${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1

pair_coeff	* *



neighbor        ${skin} bin

thermo 		${logfreq}



comm_style	brick

comm_modify 	mode multi group all vel yes

balance		1.1 shift xyz 20 1.1

fix		bal all balance 10000 1.1 shift xyz 20 1.01



####################### Options specific to pouring #########################



region	     	insreg cylinder z 10 10 8 10 18 side in units box

region	    	cylreg cylinder z 10 10 10 0 20 side in units box



variable	theta equal (step/400000)*2*PI

		

region          b1 block 2 18 9 11 0 4 side out &

                rotate v_theta 10 10 0 0 0 1 units box

region          b2 block 9 11 2 18 0 3.99999 side out &

                rotate v_theta 10 10 0 0 0 1 units box



region		mixer intersect 3 cylreg b1 b2 side in		



fix		grav all gravity ${gravity} vector 0 0 -1

fix		1 all nve/sphere



fix		mixwall all wall/gran/region hertz/history &

                ${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region mixer



fix		ins all pour 1000 1 42424 region insreg &

		diam range ${dlo} ${dhi} dens ${density} ${density}



#dump		1 all custom ${dumpfreq} ${name}_pour.dump &

#		id type mass diameter x y z



#dump		2 all image 4000 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30 zoom 1.5 &

#                box no 0.0 axes no 0.0 0.0

#dump_modify	2 pad 6



thermo_style	custom step cpu atoms ke v_theta

thermo_modify	flush yes lost warn



run		200000 

unfix 		ins

run		200000

examples/granregion/log.6Oct16.granregion.box.g++.1

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