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Advancing Solid Interfaces and Lubricants by First Principles Material Design

Project description

Advancing tribological materials to reduce friction

Applications with moving components in contact such as micro-electromechanical systems or wind turbines are subject to friction and wear and incur significant environmental and economic costs. The emergence of tribological materials is associated with impressive energy savings and CO2 emissions reduction. However, tribology is not yet adequately advanced, and the development of lubricants is still based on empirical methods. The EU-funded SLIDE project will bring the first principles material discovery model to the domain of tribology. The project will develop and apply a protocol to employ tribochemical reactions for reducing friction as well as a system for high-throughput screening of solid interfaces. It will also establish a public database and use machine learning algorithms to identify general trends and rational ways to chemically modify interfaces for pioneering applications.

Objective

Friction and wear are common phenomena that impact all applications where moving components are in contact, from micro-electromechanical systems to wind turbines, and result in massive economic and environmental costs. By advancing tribological materials impressive energy savings, and consequent reduction of CO2 emissions, can be obtained. However, in comparison with other technological applications that rely on materials, tribology is remarkably less advanced and the development of lubricants is still based on trial-and-errors methods. Optimizing lubricant materials is challenging because their performances are ruled by molecular-level processes that occur at the buried interface, which are extremely difficult to monitor by experiments. Simulations can play a decisive role here, in particular those based on quantum mechanics, which is essential to accurately describe the interactions between surfaces in contact and simulate reactions in conditions of enhanced reactivity as those imposed by the mechanical stresses applied. The goal of SLIDE is to port the material design paradigm based on First Principles Material Discovery to the field of Tribology by the development and applications of i) a protocol for harnessing tribochemical reactions to reduce interface friction. SLIDE will focus, in particular, in the development of environmental-friendly alternatives to commercial additives used in engine oils; ii) a workflow for high throughput screening of solid interfaces. A public database for the intrinsic adhesion and shear strength of a wide number of materials pairs will be created. Such database will constitute a source of realistic parameters for continuum models, paving the way for serial multiscale approaches to tribology, from the electronic- to the macro scale. Moreover, with the aid of machine learning algorithms, general trends will be identified and rational ways to chemically modify interfaces for advanced applications will be identified.

Host institution

ALMA MATER STUDIORUM - UNIVERSITA DI BOLOGNA
Net EU contribution
€ 1 403 662,00
Address
VIA ZAMBONI 33
40126 Bologna
Italy

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Region
Nord-Est Emilia-Romagna Bologna
Activity type
Higher or Secondary Education Establishments
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Total cost
€ 1 403 662,00

Beneficiaries (1)