SALTED - A High Performance Simulator for Granular Packings

拟议项目的目的是提高模拟软件的可用性和外延性，以产生形状复杂的颗粒填料，从而开发该软件的全部应用潜力。软件包可以生成的包对于科学研究和实际应用都是高度相关的。之前的应用实例包括增材制造中的粉末沉积，可印刷电子中的干燥悬浮液，纳米颗粒和界面的生产，结构和功能化，以及颗粒包装的物理研究。已经计划或启动的未来应用包括催化，以及所谓的聚合建筑，其中松散的颗粒被用作快速和可逆的建筑系统。在DFG资助的研究项目“纳米粉末的结构和力学性能”的启动下，在Friedrich-Alexander-Universität erlangen - n<e:1> rnberg的多尺度模拟研究所，在几篇博士论文的背景下，开发了用于生成复杂形状颗粒填料的软件包盐渍。salt通过事件驱动的弹道沉积模拟了粒子的动力学。用多球法表示待沉积粒子的任意几何形状。这些特性的结合使得salt在概念和性能方面都是独一无二的。目前，较差的可用性与软件的算法质量和广泛的应用潜力背道而驰。这个问题需要在拟制项目中面对，让跨学科的潜在用户圈子能够方便地应用软件，并从其算法优势中获益。

The aim of the proposed project is to improve the usability and outreach of a simulation software for the generation of packings of complicated shaped particles and, therewith, to exploit the full application potential of the software. The packings which can be generated by the software package are highly relevant for both, scientific investigations as well as practical applications. Previous application examples include the powder deposition in additive manufacturing, drying suspensions in the context of printable electronics, production, structuring and functionalization of nano particles and interfaces, and studies on the physics of granular packings. Already planed or initiated future applications comprise catalysis, and so called aggregate architecture where loose granulates are used as a quick and reversible building system. Initiated by the DFG funded research project "Structural and Mechanical Properties of Nanopowders“ the software package SALTED for the generation of packings of complicated shaped particles has been developed at the Institute for Multiscale Simulation of the Friedrich-Alexander-Universität Erlangen-Nürnberg in the context of several doctoral thesis. SALTED simulates the dynamics of the particles by event-driven ballistic deposition. The arbitrary geometries of the particles to be deposited are represented by means of the multisphere method. The combination of this features makes SALTED unique regarding both, its concept as well as its performance. A poor usability currently opposes the algorithmic qualities and the wide-ranging application potential of the software. This issue shall be faced within the proposed project, to allow the interdisciplinary circle of potential users a convenient application of the software and to profit from its algorithmic advantages.