Data and code related to the paper Self-consistent field description of polyelectrolyte-grafted colloidal actuator

In the paper related to this dataset, we present a theoretical description of actuators in prototype artificial muscle tissue by means of a self-consistent (mean field) lattice computational scheme. The actuators are composed of pH-responsive polyelectrolytes grafted at both ends between plate- or rod-like colloidal particles and immersed in an aqueous solution. The code used to carry out those computations (<strong>sfbox</strong>) is property of Wageningen University, but a more recent and advanced version of the code is available on Github (https://github.com/leermakers/Namics). Results from each run of the code are saved in .kal files (containing overall quantities describing the system) and .pro files, containing the density profiles of the quantities of interest as a function of the lattice layers. The dataset contains all .kal files and .pro files necessary to generate the figures of the paper, and a few examples for the input files are provided. Moreover, the python scripts in this dataset can be used to extract the desired output from the .kal files and to compute the actuation properties (disjoining pressure, system expansion, work in one expansion-contraction cycle etc).

本数据集相关论文中，我们采用自洽（平均场）晶格计算方法，对原型人工肌肉组织中的驱动器开展了理论描述。该驱动器由两端接枝于板状或杆状胶体颗粒之间、并浸没于水溶液中的pH响应型聚电解质构成。用于开展上述计算的代码（<strong>sfbox</strong>）为瓦赫宁根大学所有，但该代码的更新进阶版本可于GitHub（https://github.com/leermakers/Namics）获取。代码每次运行产生的结果分别保存为.kal文件（包含描述系统的整体物理量）与.pro文件，后者存储目标物理量随晶格层数变化的密度分布。本数据集包含生成论文配图所需的全部.kal与.pro文件，并附带若干输入文件示例。此外，本数据集附带的Python脚本可用于从.kal文件中提取所需输出，并计算驱动器性能参数，包括分离压力、系统膨胀量、单次伸缩循环做功等。