transformation-crystallography-lab


PTCLab

Introduction

PTCLab is a abbreviation of phase transformation crystallography lab. The purpose of this program is to calculate the phase transformation crystallography after a phase transformation and represent the results in graphical way such as in stereo graphic projection. The lattice matching near the interface, the superimposed diffraction patterns and so on can be readily simulated with present program. This program is free, opensource and runnable on multiple platform. (PTCLab是一款开源免费的软件,能够计算相变晶体学(包括O点阵,边-边匹配模型,不变线模型等),模拟衍射斑,画极射投影图及晶体结构图)

Download code from: https://sourceforge.net/projects/tclab/

Sample Plots see: https://sites.google.com/site/tclabimage/

http://itclab.weebly.com

Function

The abilities are described below: * The crystal structure 1. create crystal structure manually or input from CIF file 1. showing orientation relationship between two lattice with euler angle or orientation matrix or miller index expression 1. simulation of diffraction patterns and XRD profile 1. determine the most close packed planes and directions which are essential for transformation crystallography

  • Stereo graphic projection

    1. showing low indexed planes or directions by symmetry operation
    2. manually added poles and big circles
    3. simulating superimposed figures according given orientation
    4. generate the variants of the same orientation relationship according to the lattice symmetry
    5. commonly nominal orientation relationship such as K-S, N-W for fcc/bcc and Burgers for hcp/bcc, are included and updated.
  • Transformation crystallography

    1. manually and graphically change orientation relationship in both direction and reciprocal space
    2. calculate orientation relationship according to different criteria, such as O-line method, edge-to-edge method, martensite theory (including Frank's model, Phenomenal theory for martensite transformation, double shear model, prism matching model ).
    3. lattice matching in the interface and readily to be output for energy study
    4. illustrate superimposed lattice matching
    5. near coincidence site lattice percentage calculation within different directions and planes, and results can be shown in stereo graphic projection.
  • To be continued...

  • Welcome to join the development

The code is supported by