[Vampier-magnetic material]5:particle-array-cylinder-with-fill

1:使用了填充层

主要是通过material文件中指定某一材料为填充材料,并归定填充材料的高度

material[3]:fill-space=true
material[3]:minimum-height=0
material[3]:maximum-height=0.2

如果不指定填充材料的高度,那么默认高度是0到1,颗粒就会嵌入到改填充材料中
fill函数的自我定制,可以实现很多其它结构

2:input文件

create:crystal-structure=fcc
create:particle-array
create:cylinder
dimensions:particle-size= 2!nm
dimensions:particle-spacing= 1 !nm

dimensions:unit-cell-size=3.54
dimensions:system-size-x=14 !nm
dimensions:system-size-y=14!nm
dimensions:system-size-z=3 !nm

material:file=particle_array.mat
#---------------------------------------------------
# Simulation attributes
#---------------------------------------------------
sim:temperature=0.1
sim:total-time-steps=11000
sim:time-steps-increment=1000
sim:program=time-series
sim:integrator=monte-carlo
#---------------------------------------------------
# Data output
#---------------------------------------------------
output:time-steps
output:temperature
output:material-magnetisation
config:atoms
config:atoms-output-rate=10

3:material文件

#----------------------------
materials:num-materials = 3
#----------------------------



material[1]:exchange-matrix[1] = 3.0e-21
material[1]:exchange-matrix[2] = 1.0e-21
material[1]:atomic-spin-moment = 2.0 !muB
material[1]:damping-constant = 1.0
material[1]:uniaxial-anisotropy-constant = 1.0e-24
#----------------------------
material[2]:exchange-matrix[1] = 1.0e-21
material[2]:exchange-matrix[2] = 3.0e-21
material[2]:atomic-spin-moment = 3.0 !muB
material[2]:damping-constant = 1.0
material[2]:uniaxial-anisotropy-constant = 1.0e-23

material[1]:core-shell-size = 1.0
material[2]:core-shell-size = 0.8

#the default height is min=0 max=1
material[3]:exchange-matrix[1] = 0
material[3]:exchange-matrix[2] = 0
material[3]:exchange-matrix[3] = 0
material[3]:damping-constant = 1.0
material[3]:fill-space=true

material[3]:minimum-height=0
material[3]:maximum-height=0.2

4:生成材料效果

图片描述

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