Visual Analysis of Stochastic Trajectory Ensembles in Organic Solar Cell Design

Abstract

Abstract:We present a visualization system for analyzing stochastic particle trajectory ensembles, resulting from Kinetic Monte-Carlo simulations on charge transport in organic solar cells. The system supports the analysis of such trajectories in relation to complex material morphologies. It supports the inspection of individual trajectories or the entire ensemble on different levels of abstraction. Characteristic measures quantify the efficiency of the charge transport. Hence, our system led to better understanding of ensemble trajectories by: (i) Capturing individual trajectory behavior and providing an ensemble overview; (ii) Enabling exploration through linked interaction between 3D representations and plots of characteristics measures; (iii) Discovering potential traps in the material morphology; (iv) Studying preferential paths. The visualization system became a central part of the research process. As such, it continuously develops further along with the development of new hypothesis and questions from the application. Findings derived from the first visualizations, e.g., new efficiency measures, became new features of the system. Most of these features arose from discussions combining the data-perspective view from visualization with the physical background knowledge of the underlying processes. While our system has been built for a specific application, the concepts translate to data sets for other stochastic particle simulations.

Visual Analysis of Charge Flow Networks for Complex Morphologies

“…An exploration framework based on such methods using multiple views, filtering, brushing and linking for charge flow data was recently presented by Kottravel et al . [KVL*17]. Hierarchical edge bundling introduced by Holten [Hol06] has been used in many applications dealing with large sets of lines.…”

“…Thus, the first visualization framework was built on standard visualization concepts. It combines various diagram views of scalar efficiency measures with linked 3D views for interactive filtering and exploration [KVL*17]. This framework for the first time gave the domain scientists the possibility to explore their data visually.…”

Inviwo — A Visualization System with Usage Abstraction Levels

“…In this paper we propose design principles, and their technical realizations, which support cross-layer development and computing platform interoperability in modern visualization systems. The proposed design principles have been developed and integrated into the Inviwo visualization system, which has been used to implement a range of visualization applications, e.g., volume data exploration [21], molecular visualization [22], and material science [23]. The proposed concepts are in themselves a contribution beyond the Inviwo system.…”