H2020Индивидуална стипендия2018–2020

GENESIS · Generic semiclassical transport simulator for new generation thermoelectric materials

„Хоризонт 2020“ — Действия „Мария Склодовска-Кюри“

Период: 2018-07-02 → 2020-07-01
Финансиране от ЕС: 195 455 €
Участници: 1
Схема: MSCA-IF-EF-ST

Линиите свързват координатора с партньорите.

Накратко на български

Термоелектричните генератори превръщат топлината в електричество, но за тях са необходими по-ефективни материали. Създаването на нов софтуерен симулатор ще помогне за по-бързото и евтино откриване на такива материали чрез изчисляване на техните свойства.

Този кратък обзор е генериран от изкуствен интелект

Кратко обяснение, генерирано от езиков модел по текста на CORDIS. Оригиналът е по-долу.

Резултати накратко

Generic semiclassical transport simulator for new generation thermoelectric materials

One of the main challenges of our society is the energy sustainability and the impact of fossil fuels on the environment. Thermoelectric (TE) generators convert heat into electricity and provide energy savings and environmental sustainability. Currently, TE materials find use only in niche applications for reasons of low efficiency and high prices. A big challenge in the TE research and industry is the identification and design of optimal materials. Simulations can provide accurate predictions to make materials design inexpensive and targeted. However, the calculation of the transport coefficients is in most cases performed in a very simplified way. Accurate transport simulators, easily adaptable to the generic bandstructure details of different materials, and robust enough to be attractive to experimentalists, are currently not available. This project faces this challenge by constructing a robust simulator that can compute the TE properties of arbitrary materials by using as input their electron and phonon bandstructures. This will support the TE community in materials ranking, understanding of measurements, enabling time and cost reductions, which will accelerate the experimental efforts.

Текст от CORDIS, на английски · Данни: CORDIS, © Европейски съюз

Цел на проекта

Approximately 90% of the world's power is generated by fossil fuel combustion engines. These typically operate at 25-40% efficiency, such that globally ~15 TW is wasted as heat. Thermoelectric (TE) generators, which convert heat flow into useful electrical power, can potentially convert part of the waste heat to electricity and provide economic savings and environmental sustainability.TE modules can also be used as self-powered sensors in mobile applications, wearable electronics, etc. especially when connection to mains is limited, which makes them ideal for the ‘Internet of Things’ concept as well.One of the main challenges of the TE research area and industry is the identification and design of optimal materials out of the myriad possibilities of alloys and new generation material combinations.The GENESIS project addresses this challenge through advanced theory and simulations by constructing a well-validated, open-access generic computational machinery that can be used to simulate the thermoelectric (TE) properties of arbitrary targeted materials by using as input their electronic and phononic bandstructures. This will support the TE community in forecasting whether a particular material can be really suitable, as well as by providing better understanding of measurements, enabling time and cost reductions, which will accelerate the experimental efforts. Such a timely needed computational machinery is currently missing. Thus, the projects bridges the current gap between theory and experiment in the design of TE materials, and will allow the Experienced Researcher to establish himself as a computational materials scientist specialized in electro-thermal transport.

Оригинален текст от CORDIS (на английски).

Участници

UNIVERSITY OF WARWICK · COVENTRYКоординаторОбединеното кралство