Active textiles move in confined areas source code and simulation scripts

This repository contains the simulation source code, input scripts, and analysis tools used in the manuscript:

"Active textiles move in confined areas" Authors: Maija Vaara, Pedro E. S. Silva and Jaana Vapaavuori, Vaara, Maija Journal: Science Advances (submitted)

Overview

This archive provides the complete computational framework required to replicate the results of the study. It includes the specialized code developed for simulating bobbin lace structures and the scripts used to extract pore geometry metrics.

Contents

• Simulation Source Code: C++ (custom LAMMPS potentials) and Python source files for the lacemaker framework.

• Pattern Geometry Files (/json): The 24 JSON-formatted pattern geometry files used to define the lace architectures.

• LAMMPS Input Scripts (/scripts/lammps): The specific input scripts and parameter files used to run molecular dynamics-style equilibrations of the lace structures.

• Analysis Scripts (/scripts/analysis): Python and/or shell scripts used to process raw trajectories into aggregated pore data.

Usage Notes

Basic instructions for compiling the source and executing the scripts can be found in the included README.md file. For the raw simulation trajectories and aggregated results, please refer to the companion dataset at Active textiles move in confined areas dataset.

GitHub Repository

A development version of this code is maintained at: https://github.com/p3d2/lacemaker