Software – Jean-François Barthélémy

Academic freeware and open-source scientific libraries, in Julia and in C++.

MicroPoroChemoMechanics

MicroPoroChemoMechanics is a GitHub organization of which I am one of the owners. It gathers a Julia ecosystem for the coupled micro-chemo-mechanics of porous reactive media, from molecular-level thermodynamic equilibrium up to the macroscopic poromechanical response. The five packages are registered in Julia’s General registry and install with a plain Pkg.add.

Organization overview MicroPoroChemoMechanics on GitHub

Core packages

TensND.jl

Julia

Tensors

Linear Algebra

Julia package for symbolic and numerical tensor calculations of any order and dimension in arbitrary coordinate systems, with structured tensor types carrying built-in symmetries.

ChemistryLab.jl

Julia

Chemistry

Materials Science

A Julia computational chemistry toolkit — formula handling, species management, stoichiometric matrices, thermodynamic databases and chemical equilibrium. Initially aimed at low-carbon cementitious materials and aqueous solutions.

MeanFieldHomogenization.jl

Julia framework for mean-field homogenization of heterogeneous materials. Hill polarization tensors, cracks, layered inclusions, ageing viscoelasticity and all classical schemes, with ForwardDiff sensitivities. Morphologies without a closed form enter by…

Backend packages

OptimaSolver.jl

Julia

Optimization

Thermodynamics

Julia port of Allan Leal’s Optima C++ library: a primal-dual interior-point solver for Gibbs energy minimization, with diagonal Hessian structure and implicit-differentiation sensitivity matrices. The equilibrium backend of ChemistryLab.jl.

DECUHR.jl

Julia

Quadrature

Numerical Analysis

Pure-Julia port of the DECUHR algorithm (Espelid & Genz, 1994) for adaptive integration of functions with vertex singularities over hyper-rectangles, pluggable into Integrals.jl.

Standalone projects

echoes

A C++/Python library implementing homogenization schemes for heterogeneous materials. Provides tools for computing effective elastic, thermal, and viscoelastic properties of composites and geomaterials based on Eshelby-type micromechanical models.