molecular dynamics


- Lennard-Jones potential
(001) Ar MD2D simple js code
(004) fast LJMD2D register near particle(booking)
(006) Ar MD3D simple js code
(007) fast MD3D register near particle(booking)
(010) mixed gas LJMD2D
(012) mixed gas LJMD3D
(054) diffusion LJMD2D
(055) Brownian motion LJMD2D
(056) ensemble LJMD2D ensemble - NVE/NVT/NPT
(057) get data LJMD2D get molecules data
(058) ensemble LJMD3D ensemble - NVE/NVT/NPT
(059) get data LJMD3D get molecules data
(075) ArLJMD3D using three.js 3D draw using three.js

- Morse potential
(014) crystal MMD2D simple js code
(015) grain boundary MMD2D
(017) mix MMD2D mixed 2-kind crystals
(019) periodic MMD2D periodic boundary condition
(021) faster mix MMD2D faster - O(N)
(060) ensemble MMD2D ensemble - NVE/NVT/NPT
(061) get data MMD2D get molecules data
(062) ensemble MMD3D ensemble - NVE/NVT/NPT
(063) get data MMD3D get molecules data
(108) grain growth MMD3D crystal grain growth

- ion potential
(023) NaCl IonMD2D simple js code
(025) faster IonMD2D faster - O(N), NaCl type crystal
(027) NaCl IonMD3D simple js code
(030) periodic IonMD2D periodic boundary condition
(052) periodic IonMD3D periodic boundary condition
(053) faster IonMD3D faster - O(N)
(064) ensemble IonMD2D ensemble - NVE/NVT/NPT
(065) get data IonMD2D get molecules data
(066) ensemble IonMD3D ensemble - NVE/NVT/NPT
(067) get data IonMD3D get molecules data

- Embeded Atom potential (include FS,tight-binding)
(042) bcc metal AFS FS + Ackland correction potential
(068) ensemble FSMD3D ensemble - NVE/NVT/NPT
(069) xz-periodic FSMD3D ensemble - NVE/NVT/NPT
(070) fpi-fixed FSMD3D fixed Finnis-Sinclair potential
(071) bcc Crystal TBMD3D tight binding potential
(072) fcc Crystal TBMD3D tight binding potential
(073) hcp Crystal TBMD3D tight binding potential
(074) crystal TBMD3D bcc/fcc/hcp crystal
(091) ensemble Sutton-Chen potential MD3D bcc crystal

- First Principle Molecular Dynamics (FPMD)
(051) H2 molecule FPMD


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Copyright(C) 2018 Mitsuru Ikeuchi
Released under the MIT license

(created 2018.05.10, last updated 2019.03.19)
inserted by FC2 system