PhD position on Multiscale Modelling of Recycled Wax for Sustainable Thermal Storage

Departments, Department of Applied Physics and Science Education

The Department of Applied Physics and Science Education is a research-driven department housing high-quality educational programs, all featuring strong connections between research and education. Our research is clustered in three focal areas: Fluids, Bio and Soft Matter (FBSM); Plasmas and Beams (PB); and Nano, Quantum and Photonics (NQP). Our shared ambition is to equip the next generation of 'engineers of the future' with the knowledge and the skills they will need to impact science, innovation, and society, from regional to global scales.

Introduction

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.

Job Description

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;

Job Requirements

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.

Conditions of Employment

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. 

Information

Do you recognize yourself in this profile and would you like to know more? Please contact prof. A. Lyulin, and prof. H. Friedrich, for additional information,

Visit our website for more information about the application process or the conditions of employment. You can also contact

Curious to hear more about what it's like as a PhD candidate at TU/e? Please view the video.

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Application

We invite you to submit a complete application by using the apply button. The application should include a:

• Cover letter in which you describe your motivation and qualifications for the position.
• Curriculum vitae, including a list of your publications and the contact information of three references.

We look forward to receiving your application and will screen it as soon as possible. The vacancy will remain open until the position is filled.

Please note

• You can apply online. We will not process applications sent by email and/or post. 
• A pre-employment screening (e.g. knowledge security check) can be part of the selection procedure. For more information on the knowledge security check, please consult the National Knowledge Security Guidelines.
• Please do not contact us for unsolicited services. 

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