搜索资源列表
Find minimum energy fcc configuration
- lammps源文件,可以实现计算面心立方晶格的最低能量(find minimum energy fcc configuration)
water_graphite
- lammps源文件,可以实现石墨吸附水的功能的程序(water graphite lammps in document)
si
- lammps的sic的二维界面摩擦问题的处理(Lammps deals with sic's two - dimensional interface friction problems)
粗粒化链
- 用lammps的分子模板功能构建粗粒化链,包含lipid.IN dpd.IN(The in file of coarse-grained chain was constructed by molecular template.)
in
- LAMMPS上用于计算聚合物+杆状填料的普通剪切过程的输入文件(Input file for calculation of common shear process of polymer + rod packing on LAMMPS)
VISCOSITY
- 压缩包含有多个脚本和日志文件,可用于LAMMPS中粘弹性的计算(it is available to characterize the viscoelasticity of materials by LAMMPS)
Fe-30-Section
- lammps,30*30*30铁的切15*15*15面,边界条件周期性边界条件,分子动力学MD模拟。(Lammps, MD simulation of iron section)
defect
- 本程序为LAMMPS程序,用于计算缺陷形成能(calculate defect formation energy)
in
- 该文件利用了分子动力学模拟软件lammps,模拟CuZr合金的弛豫(融化和冷却)。(simulate the melt process of CuZr metallic glasses by lammps)
新建文本文档
- lammps实例,水在铜表面的蒸发模拟,in文件示例(Example of lammps, evaporation simulation of water on copper surface, example of in file)
3_层错与孪晶
- lammps代码,用于计算层错能和孪晶形成能(an example of lammps to calculate the stacking faults energy and the formation energy of the twin crystals)
4_表面能
- 铜和镁表面能计算的lammps代码和实例(the codes to calculate the surface energy of Cu and Mg)
CxN output
- 分子动力学,用于lammps下聚合物拉伸的input文件和势文件(molecular dynamics, used in lammps for polymer uniaxial, input file)
[emuch.net]获得lammpsdata文件的几种方法
- 获得lammps中data文件的几种方法(Several methods of obtaining data files in lammps)
lammps导热系数计算方法
- 计算热导率有好几种方法,分成两大类:平衡态法和非平衡态法 或许各位有疑问,诶,窝明明固体物理和热统学过啊,如果不计入格点间的非简谐相互作用(即关于位置变化量的3阶项及以上),非谐效应中的热膨胀和热传导是不存在的 由于核心思路是通过热流和温度梯度在某段范围内稳定的呈线性关系相比得到kappa的,这里有一个Green-Kubo线性响应理论(Calculation of thermal conductivity)
sputtering(C-Ti)
- 这是一个lammps示例,内容是Ti原子在金刚石基材上的溅射过程。包括了用python写的用于生成Ti原子初始能量的脚本,lammps的输入脚本使用了官方提供的Pylammps接口来。具体的过程见readme文件夹中的readme.md(This is an example of lammps in which Ti atoms are sputtered on a diamond substrate. The scr ipt writ
多晶建模
- 几个matlab脚本,用于简单的多晶建模,生成的是lammps data格式文件。(Several matlab scr ipts, used for simple polycrystalline modeling, generate lammps data format files.)
热导率计算
- 樊哲勇老师的分子动力学热导率计算的讲义和lammps脚本。(Professor Fan zheyong's lecture notes and lammps scr ipt of molecular dynamics thermal conductivity calculation.)
ppt
- Balance, free energy, stretching, friction and other learning content in lammps
melt_cu_al
- 用于lammps软件上模拟Al与Cu的融化过程(The melting process of Al and Cu was simulated by lammps software)