PhD position on Multiscale Modelling of Recycled Wax for Sustainable Thermal Storage (RecyWax+)

To heat our houses and offices with a lower carbon footprint, efficient and low-cost heat storage solutions such as organic phase change materials (PCM) hold great promise. To design efficient and low-cost PCM composites the RecyWax+ project combines multi-physics modelling approaches and physical experimentation of the thermal properties of the PCM composite. Throughout, theory is validated by synthesis and assembly of concrete PCMs. RecyWax+ offers a PhD position for molecular-dynamics simulations of novel PCM systems for thermal storage.

Recywax+ is supported within the Dutch Research Council NWO OTP programme, and is led by profs. Alexey Lyulin, Heiner Friedrich and Henk Huinink (all TU/e) and prof. Bernard Geurts (U Twente). The project explores how waste products can be turned into a sustainable battery for thermal storage. The idea is to combine waxes obtained through pyrolysis of plastic waste streams, with ultra-conductive graphene networks, i.e., nanometer sized carbon platelets that transport heat at tremendous conductivity. This creates a compact and efficient system for thermal energy storage, exploiting phase transition to store thermal energy in terms of an increased temperature, as well as a reversible change of phase from solid to liquid. Think of it as a heat battery that charges and discharges similarly to a regular battery, but with heat instead of electricity.

Recywax+ aims to develop the next generation of PCM composites extracted from upcycled polymer pyrolysis waste streams and thermally conductive fillers. In this PhD project we adopt a molecular modelling approach with which we address the following steps/questions:

• Characterize the molecular structure and molecular distribution of suitable polymer pyrolysis waste streams to aid modelling of filler-matrix interfaces;
• Modeling (using Gromacs and LAMMPS software packages and MARTINI-like upscaling) the filler-matrix interfaces to optimize thermal transport, e.g., by functionalization of the nanofiller surface;
• Simulate and advise on the ideal filler-filler contacts and filler-matrix interface structure; this interface should be such that the fillers are finely dispersed in the matrix, yet still enabling good filler-filler contacts;
• Connect sub-micron, atomistic properties of the interface to macroscopic network scales, predict thermal conductivity, and develop practical strategies to drastically increase thermal conductivity;

Talented, enthusiastic candidates with strong simulation and/or experimentation interests and research-oriented attitude holding a university degree (M.Sc.) in (Theoretical) Physics, Applied Mathematics, Mechanical Engineering, Materials Science, Scientific Computing, Physical Chemistry, Polymer physics or a closely related discipline are encouraged to apply. Preferably, the candidate has been studying any of these topics: statistical physics, computer simulation methods, and polymer physics. Proficiency in the C++ and/or Python programming language is an advantage. Good knowledge of spoken and written English (C1 level) is an essential asset. The candidate should also be motivated to develop his/her own teaching skills and coach students in their MSc program.

A meaningful job in a dynamic and ambitious university, in an interdisciplinary setting and within an international network. You will work on a beautiful, green campus within walking distance of the central train station. In addition, we offer you:

• Full-time employment for four years, with an intermediate assessment after nine months. You will spend a minimum of 10% of your four-year employment on teaching tasks, with a maximum of 15% per year of your employment.
• Salary and benefits (such as a pension scheme, paid pregnancy and maternity leave, partially paid parental leave) in accordance with the Collective Labour Agreement for Dutch Universities, scale P (min. € 3,059 - max. € 3,881).
• A year-end bonus of 8.3% and annual vacation pay of 8%.
• High-quality training programs and other support to grow into a self-aware, autonomous scientific researcher. At TU/e we challenge you to take charge of your own learning process.
• An excellent technical infrastructure, on-campus children's day care and sports facilities.
• An allowance for commuting, working from home and internet costs.
• A Staff Immigration Team and a tax compensation scheme (the 30% facility) for international candidates.

Do you recognize yourself in this profile and would you like to know more? Please contact prof. A. Lyulin, a.v.lyulin@tue.nl and prof. H. Friedrich, h.friedrich@tue.nl for additional information,

Visit our website for more information about the application process or the conditions of employment. You can also contact HRServices.apse@tue.nl.

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