<i>PTCLab</i>: free and open-source software for calculating phase transformation crystallography

TLDR

PTCLab is a free, open‑source tool that computes crystallographic features—such as orientation relationships, interface orientations, and interfacial structures—arising during phase transformations. The program implements a suite of crystallographic models (PTMC, double‑shear PTMC, invariant‑line, O‑lattice, O‑line, 3‑D near‑coincidence site, edge‑to‑edge matching, variant selection) for martensitic and diffusional transformations, offers stereographic projections and basic crystal calculations, and is written in Python for cross‑platform use. PTCLab generates high‑quality composite stereographic projections and electron‑diffraction patterns.

Abstract

PTCLab ( Phase Transformation Crystallography Lab ) is free and open-source software to calculate the crystallographic features formed during a phase transformation, such as orientation relationship, interface orientation, interfacial structure etc . This program covers the crystallographic theories for both martensitic and diffusional transformation and allows users to represent the results in stereographic projection. The crystallographic models treated in PTCLab include the classical phenomenological theory of martensite crystallography (PTMC), the double shear version of PTMC, the invariant line model, O-lattice theory, the O-line model, the recently developed three-dimensional near coincidence site method, the edge-to-edge matching model and variant selection analysis. In addition, a number of basic crystallographic calculations for single or multiple crystal structures can be performed with the calculation pad. High-quality composite stereographic projection and electron diffraction patterns can be also obtained by the present application. PTCLab is written in Python, runnable cross platform, and is distributed at https://sourceforge.net/projects/tclab/.