Skip to content

Software developed at the Max Planck Institut für Eisenforschung

Notifications You must be signed in to change notification settings

eisenforschung/software

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

12 Commits
 
 

Repository files navigation

Software developed at the Max Planck Institut für Eisenforschung

Cluster GB

Author: Liam Huber

ClusterGB is a set of Python scripts designed to facilitate easy calculations of planar grain boundaries (GBs) using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). In order to accommodate even low-symmetry boundaries, ClusterGB uses vacuum clusters to eliminate the need for periodic boundary conditions.

Website: Repository: Documentation: Conda Package: MyBinder:
📦

DAMASK — the Düsseldorf Advanced Material Simulation Kit

Authors: Franz Roters & Martin Diehl

At the core of DAMASK is a flexible and hierarchically structured model of material point behavior for the solution of elastoplastic boundary value problems along with damage and thermal physics. Its main purpose is the simulation of crystal plasticity within a finite-strain continuum mechanical framework.

Website: Repository: Documentation: Conda Package: MyBinder:
🌐 📦 📚 🚀 Binder

DeepHeisenberg

Author: Ye Wei

Crystallographic Indexing of Atom Probe Datasets Using Machine-Learning Algorithms and grain boundary tracking in atom probe Al bicrystal

Website: Repository: Documentation: Conda Package: MyBinder:
📦, 📦

DIST Toolkit

Author: Zongrui Pei

Generate atomic structures for common defects in materials

Website: Repository: Documentation: Conda Package: MyBinder:
📦

GB code

Author: Sherri Hadian

This python package helps you create orthogonal grain boundary supercells for atomistic calculations. The code is based on the coincident site lattice (CSL) formulations for cubic materials (sc, bcc, fcc, diamond).

Website: Repository: Documentation: Conda Package: MyBinder:
📦 Binder

SPHInX

Authors: Sixten Boeck & Christoph Freysoldt

S/PHI/nX is a C++ library for materials simulation, mostly electronic-structure theory. It also is a program (sphinx) to perform such simulations using density-functional theory, and k.p theory. In addition, the package offers dozens of specialized programs (add-ons) for smaller tasks related to setup, analysis, post-processing, and other types of simulations.

Website: Repository: Documentation: Conda Package: MyBinder:
🌐 📦 📚 🚀 Binder

Paraprobe

Author: Markus Kühbach

Strong scaling distributed- and shared-memory CPU-parallelized tools for mining Atom Probe Tomography data and GPU-parallelized Atom Probe Crystallography tools.

Website: Repository: Documentation: Conda Package: MyBinder:
📦 📚

pyAPT

Author: Luv Sharma

This code is useful for post processing the atom probe tomography (APT) data. Currently it has the functionality to substract the defined background ranges in the APT mass spectrum and disentangle the defined overlaps. Currently its structure works is suitable only for CdS/Cu(In,Ga)Se_2

Website: Repository: Documentation: Conda Package: MyBinder:
📦

pyiron

Authors: Jan Janssen, Sudarsan Surendralal, Osamu Waseda, Liam Huber, Jörg Neugebauer

To orchestrate the method development in the CM department and to integrate the existing methods in a common platform the CM department has developed a Python based framework called pyiron. It provides all the tools needed to interactively explore, implement, and run complex simulation protocols that require to combine different computer codes and to run thousands of separate calculations on high-performance computer clusters.

Website: Repository: Documentation: Conda Package: MyBinder:
🌐 📦 📚 🚀 Binder

pyrho

Author: Michael Ashton

Pyrho is a small real-space DFT code written in Python. It is not built to be super-fast or super-scalable, but rather to be super-readable.

Website: Repository: Documentation: Conda Package: MyBinder:
📦 Binder

pySTEM

Author: Ning Wang

Automatic segmentation of Scanning Transmission Electron Microscope (STEM) images based on the local-correlation-map descriptor

Website: Repository: Documentation: Conda Package: MyBinder:
📦

STABiX

Authors: David Mercier & Claudio Zambaldi

The Matlab toolbox STABiX provides a unique and simple way to analyse slip transmission in a bicrystal. Graphical User Interfaces (GUIs) are implemented in order to import EBSD results, and to represent and quantify grain boundary slip resistance. Key parameters, such as the number of phases, crystal structure (fcc, bcc, or hcp), and slip families for calculations, are set by the user. With this information, grain boundaries are plotted and color coded according to the m factor that quantifies the geometrical compatibility of the slip planes normals and Burgers vectors of incoming and outgoing slip systems. Other potential functions that could assess the potential to develop damage are implemented (e.g. residual Burgers vector and N factor, resolved shear stress, misorientation...).

Website: Repository: Documentation: Conda Package: MyBinder:
📦 📚

TEMMETA

Author: Niels Cautaerts

TEMMETA is a library for transmission electron microscopy (TEM) (meta)data manipulation. The aim is to offer a one stop place for very basic to intermediate level operations on (S)TEM data, and be a kind of python version of ImageJ + Digital Micrograph + Velox.

Website: Repository: Documentation: Conda Package: MyBinder:
📦 🚀 Binder

upho

Author: Yuji Ikeda

Band unfolding for phonons

Website: Repository: Documentation: Conda Package: MyBinder:
📦 📚

About

Software developed at the Max Planck Institut für Eisenforschung

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published