Topic of the thesis:
Due to the urgent need for alternative energy sources to fossil fuels, hydrogen is gaining increasing attention in society. It can serve as a climate-friendly alternative to fossil resources while also being used for storing electricity generated from renewable energy sources. This enables the smoothing of energy peaks by storing excess energy for later use. One approach for hydrogen storage in mobile applications is hydrogen pressure tanks, where hydrogen is stored at approximately 700 bar. This raises questions about the permeation behavior, directed diffusion, and the influence of hydrogen on the mechanical properties of the material. Since all these processes can be traced back to the atomic level, the objective of this thesis is to investigate permeation and diffusion using molecular dynamics simulations. Furthermore, the impacts on the mechanical properties resulting from the loading of the material with hydrogen will be determined. In addition to molecular dynamics simulations, ab-initio methods and finite element methods may also be employed.
Work within this research group:
This work will be conducted within our research group, which focuses on the molecular dynamics analysis of polymers and the investigation of media-induced aging processes in plastics. Within these research areas, we encounter a wide range of questions, including studies on plastic recycling and the development of recycling loops. Additionally, we explore the causes and formation of plastic failures to enhance the longevity of products during their manufacturing process, contributing to a more sustainable use of finite resources.
Objective:
The objective of your work is the simulation-based description of hydrogen in polyamide and polyethylene. The specific content and scope of your work will be determined collaboratively, depending on the nature of the thesis and your personal interests. The following list provides a rough overview of possible tasks. Individual adjustments to the task assignment based on your interests are certainly possible.
For a bachelor's thesis, you will address the following tasks:
- Calculation of hydrogen diffusion in polyamide and polyethylene
- Investigation of the direction-dependent diffusion
- Determination of the mechanical properties of hydrogen-loaded polymers
For a master's thesis, you will address the following tasks:
- Calculation of hydrogen diffusion in polyamide and polyethylene
- Investigation of the direction-dependent diffusion
- Determination of the mechanical properties of hydrogen-loaded polymers
- Mechanistic evaluation of the influence of hydrogen on the polymer structure
- FEM simulations of mass transport
Your profile:
- Technical or natural sciences background (Mechanical Engineering, Materials Science, Chemistry, Physics, or similar)
- Experience in simulation is advantageous but not mandatory and can be acquired during the course of the work
- Interest in independent and flexible work within a motivated team
If you are interested in a thesis at the IKV and in this topic, please contact me or feel free to drop by for a coffee. We will individually coordinate the specific content and timeline of the thesis.
Your contact person:
Felix Melzer, M.Sc.
Phone: 0241-80-28373
Email: felix.melzer@ikv.rwth-aachen.de