DLstudio    NPstudio         

GBstudio ver. 3       Grain Boundary Studio

What's the GBstudio?
   The GBstudio is a Java applet for generating initial configurations of atomistic grain-boundary models.   It generates 3D-periodic models for molecular dynamics or ab initio calculation.   You can use the GBstudio directly on your web-browser.

What's the target structure?
   The GBstudio generates 3D-periodic models including two grain boundaries between two grains which have the same crystal structure except for their orientations. You can check the output images of the GBstudio in the sample gallery. These samples can be called by the open button of the GBstudio.

      Note:   The grain-boundary model of the GBstudio is based on simple geometrical operation and does not include the energetical effect on structure relaxation.

Builder menus
    crystal (Xtal):   Single crystal models with arbitrary translation vectors
    CLS:      Coincident Site Lattice (CSL) models up to Σ = 99   (cubic crystals)
    T/T:       Symmetric Tilt and Twist grain boundaries   (monoclinic to cubic crystals)
    ed:         Find and manipulate abnormal atomic pairs at the grain boundaries
    set:        Settings of atomic colors and radii, default view angle, output format, etc.

GBstudio applets
   The Java3D version is recomended for ordinary use.   The PureJava version is useful when you build large models compose of more than 10 000 atoms.

Modeling procedures

Information on GBstudio (in Japanese)


Keywordsˇ§ˇˇgrain boundary, CSL, sigma, tilt, twist, periodic boundary, modeling, builder, software, atomic coordinates, first-principles, molecular dynamics, simulation

from 15 July 2003 to Feb 2020