feat(granregion): 重构漏斗示例并添加两阶段仿真流程
* 修改 in.granregion.funnel: - 将颗粒尺寸从 [0.25, 0.5] 调整为 [0.2, 0.3] - 接触模型从 hertz/history 更改为 hooke - 增加单次注入颗粒数量从 2000 到 8000 - 添加邻域列表设置 neigh_modify one 10000 * 新增两阶段仿真文件: - in.granregion_init.funnel: 初始化阶段，颗粒注入并生成重启文件 - in.granregion_run.funnel: 运行阶段，从重启文件继续仿真 * 其他调整： - 去除初始化阶段的颗粒注入步骤注释 - 添加边界区域重新定义逻辑 - 优化热力学数据输出设置
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@ -31,8 +31,8 @@ variable radconehi equal 20
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# Particle sizes
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################################################
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variable rlo equal 0.25
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variable rhi equal 0.5
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variable rlo equal 0.2
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variable rhi equal 0.3
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variable dlo equal 2.0*${rlo}
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variable dhi equal 2.0*${rhi}
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@ -76,13 +76,13 @@ variable logfreq equal 1000
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newton off
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atom_style sphere
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neigh_modify one 10000
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boundary p p f
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region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
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create_box 1 boxreg
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pair_style gran/hertz/history &
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pair_style gran/hooke &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_coeff * *
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@ -120,7 +120,7 @@ fix 1 all nve/sphere
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fix hopper3 all wall/gran/region hertz/history &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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fix ins all pour 2000 1 42424 region insreg &
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fix ins all pour 8000 1 42424 region insreg &
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diam range ${dlo} ${dhi} dens ${density} ${density}
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#dump 1 all custom ${dumpfreq} ${name}.dump &
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148
examples/granregion/in.granregion_init.funnel
Normal file
148
examples/granregion/in.granregion_init.funnel
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@ -0,0 +1,148 @@
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# pour particles into cone-shaped funnel, settle them, let them run out bottom
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variable name string funnel_pour
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thermo_modify flush yes
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units si
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variable PI equal 3.141592653589
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variable seed equal 14314
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###############################################
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# Geometry-related parameters
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###############################################
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variable xlo equal 10
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variable xhi equal 40
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variable ylo equal 10
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variable yhi equal 40
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variable zlo equal -20
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variable zhi equal 50
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variable xc equal 25
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variable yc equal 25
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variable zconehi equal 50
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variable zconelo equal 10
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variable zcyllo equal 0
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variable radconelo equal 2
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variable radconehi equal 20
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################################################
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# Particle sizes
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################################################
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variable rlo equal 0.25
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variable rhi equal 0.5
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variable dlo equal 2.0*${rlo}
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variable dhi equal 2.0*${rhi}
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variable skin equal ${rhi}
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###############################################
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# Granular contact parameters
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###############################################
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variable coeffRes equal 0.1
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variable coeffFric equal 0.5
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variable density equal 1.0
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variable EYoung equal 10^5
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variable Poisson equal 2.0/7.0
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variable GShear equal ${EYoung}/(2*(1+${Poisson}))
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variable gravity equal 1.0
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variable reff equal 0.5*(${rhi}+${rlo})
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variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3
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variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
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variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
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## Typical way to set kn, kt, etc.:
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variable kn equal 4.0*${GShear}/(3*(1-${Poisson}))
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variable kt equal 4.0*${GShear}/(2-${Poisson})
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variable a equal (-2.0*log(${coeffRes})/${PI})^2
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variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
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variable gamma_t equal ${gamma_n}*0.5
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variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
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variable dt equal ${tcol}*0.05
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timestep ${dt}
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###############################################
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variable dumpfreq equal 1000
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variable logfreq equal 1000
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newton off
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atom_style sphere
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boundary p p f
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region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
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create_box 1 boxreg
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pair_style gran/hooke &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_coeff * *
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neighbor ${skin} multi
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thermo ${logfreq}
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comm_style brick
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comm_modify mode multi group all vel yes
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balance 1.1 shift xyz 20 1.1
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fix bal all balance 10000 1.1 shift xyz 20 1.01
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####################### Options specific to pouring #########################
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# insertion region for fix/pour
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region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
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# define cone and cylinder regions - see lammps doc on region command
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# note new open options
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region cylreg cylinder z ${xc} ${yc} ${radconelo} &
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${zcyllo} ${zconelo} side in units box &
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open 2 #Top is open
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region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} &
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${zconelo} ${zconehi} side in units box &
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open 1 open 2 #Bottom and top are open
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region hopreg union 2 conereg cylreg
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fix grav all gravity ${gravity} vector 0 0 -1
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fix 1 all nve/sphere
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fix hopper3 all wall/gran/region hertz/history &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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fix ins all pour 2000 1 42424 region insreg &
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diam range ${dlo} ${dhi} dens ${density} ${density}
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#dump 1 all custom ${dumpfreq} ${name}.dump &
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# id type mass diameter x y z
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#dump 2 all image 4000 image.*.jpg type type &
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# axes yes 0.8 0.02 view 60 -30 zoom 3.0 &
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# box no 0.0 axes no 0.0 0.0
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#dump_modify 2 pad 6
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thermo_style custom step cpu atoms ke
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thermo_modify flush yes lost warn
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# 导出dump文件，用paraview检查
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dump 1 all custom ${dumpfreq} ${name}.dump id type mass diameter x y z
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# Initial run to fill up the cone
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# 运行以插入颗粒
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run 20000
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# unfix ins
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# 插入完成后，写入作为初始状态给run用
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write_restart tmp.restart
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164
examples/granregion/in.granregion_run.funnel
Normal file
164
examples/granregion/in.granregion_run.funnel
Normal file
@ -0,0 +1,164 @@
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# pour particles into cone-shaped funnel, settle them, let them run out bottom
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variable name string funnel_pour
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thermo_modify flush yes
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units si
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variable PI equal 3.141592653589
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variable seed equal 14314
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###############################################
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# Geometry-related parameters
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###############################################
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variable xlo equal 10
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variable xhi equal 40
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variable ylo equal 10
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variable yhi equal 40
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variable zlo equal -20
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variable zhi equal 50
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variable xc equal 25
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variable yc equal 25
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variable zconehi equal 50
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variable zconelo equal 10
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variable zcyllo equal 0
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variable radconelo equal 2
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variable radconehi equal 20
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################################################
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# Particle sizes
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################################################
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variable rlo equal 0.25
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variable rhi equal 0.5
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variable dlo equal 2.0*${rlo}
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variable dhi equal 2.0*${rhi}
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variable skin equal ${rhi}
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###############################################
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# Granular contact parameters
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###############################################
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variable coeffRes equal 0.1
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variable coeffFric equal 0.5
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variable density equal 1.0
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variable EYoung equal 10^5
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variable Poisson equal 2.0/7.0
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variable GShear equal ${EYoung}/(2*(1+${Poisson}))
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variable gravity equal 1.0
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variable reff equal 0.5*(${rhi}+${rlo})
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variable meff equal ${density}*4.0/3.0*${PI}*${reff}^3
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variable min_mass equal ${density}*4.0/3.0*${PI}*${rlo}*${rlo}*${rlo}
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variable max_mass equal ${density}*4.0/3.0*${PI}*${rhi}*${rhi}*${rhi}
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## Typical way to set kn, kt, etc.:
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variable kn equal 4.0*${GShear}/(3*(1-${Poisson}))
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variable kt equal 4.0*${GShear}/(2-${Poisson})
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variable a equal (-2.0*log(${coeffRes})/${PI})^2
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variable gamma_n equal sqrt($a*2*${kn}/${min_mass}/(1+0.25*$a))
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variable gamma_t equal ${gamma_n}*0.5
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variable tcol equal ${PI}/sqrt(2*${kn}/${min_mass}-${gamma_n}/4.0)
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variable dt equal ${tcol}*0.05
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timestep ${dt}
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###############################################
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variable dumpfreq equal 1000
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variable logfreq equal 1000
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newton off
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atom_style sphere
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boundary p p f
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# region boxreg block ${xlo} ${xhi} ${ylo} ${yhi} ${zlo} ${zhi}
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# create_box 1 boxreg
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read_restart tmp.restart
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pair_style gran/hooke &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1
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pair_coeff * *
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neighbor ${skin} multi
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thermo ${logfreq}
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comm_style brick
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comm_modify mode multi group all vel yes
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balance 1.1 shift xyz 20 1.1
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fix bal all balance 10000 1.1 shift xyz 20 1.01
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####################### Options specific to pouring #########################
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# insertion region for fix/pour
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# region insreg cylinder z ${xc} ${yc} 10 30 50 side in units box
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# define cone and cylinder regions - see lammps doc on region command
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# note new open options
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region cylreg cylinder z ${xc} ${yc} ${radconelo} &
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${zcyllo} ${zconelo} side in units box &
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open 2 #Top is open
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region conereg cone z ${xc} ${yc} ${radconelo} ${radconehi} &
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${zconelo} ${zconehi} side in units box &
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open 1 open 2 #Bottom and top are open
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region hopreg union 2 conereg cylreg
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fix grav all gravity ${gravity} vector 0 0 -1
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fix 1 all nve/sphere
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fix hopper3 all wall/gran/region hertz/history &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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# fix ins all pour 2000 1 42424 region insreg &
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# diam range ${dlo} ${dhi} dens ${density} ${density}
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#dump 1 all custom ${dumpfreq} ${name}.dump &
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# id type mass diameter x y z
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#dump 2 all image 4000 image.*.jpg type type &
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# axes yes 0.8 0.02 view 60 -30 zoom 3.0 &
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# box no 0.0 axes no 0.0 0.0
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#dump_modify 2 pad 6
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thermo_style custom step cpu atoms ke
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thermo_modify flush yes lost warn
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# Initial run to fill up the cone
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# run 20000
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# unfix ins
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# 继续运行
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run 150000
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# dump 1 all custom 1 cpu.dump id type mass diameter x y z vx vy vz fx fy fz
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# run 1
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# remove "plug" - need to redefine cylinder region & union
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region cylreg delete
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region hopreg delete
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region cylreg cylinder z ${xc} ${yc} ${radconelo} &
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${zcyllo} ${zconelo} side in units box &
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open 1 open 2 #Bottom & top are open
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region hopreg union 2 cylreg conereg
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unfix hopper3
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fix hopper3 all wall/gran/region hertz/history &
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${kn} ${kt} ${gamma_n} ${gamma_t} ${coeffFric} 1 region hopreg
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run 100000
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