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Decoding the Mechanics of Metals by Coarse-Grained Atomistics

Objective

"""First principles"" and ""bottom-up"" have become buzz words across scientific and engineering disciplines when it comes to the discovery, prediction and understanding of material properties and their link to processing and microstructure. Reality, however, teaches us that in the foreseeable future computational resources will be insufficient to apply predictive techniques such as quantum mechanics or atomistics to the technologically most relevant length and time scales - far above nanometers and nanoseconds. This proposal aims for nothing less but the seemingly impossible: the application of atomistic techniques to problems occurring over microns to millimeters and seconds to minutes. Instead of relying on computational power, this will be achieved by a combination of scale-bridging methodologies (involving the PI's nonlocal and meshless quasicontinuum techniques, concepts from particle methods, continuum and statistical mechanics) and computational science strategies in order to produce new theory and an open-source, computational toolset for long-term, large-scale simulations relying solely on atomistic input. Spatial upscaling, temporal upscaling as well as heat and mass transfer will be addressed. Enabled by the new scale-bridging capabilities, two representative, open challenges will be investigated: recrystallization in magnesium during thermo-mechanical processing and corrosion in steel by hydrogen embrittlement. Both are of enormous technological and economic importance but current techniques are insufficient to bridge the gap between the macroscopic mechanical performance, microstructural mechanisms and predictive atomic-scale simulations. The outcomes of this five-year research program will provide never-before techniques and numerical tools to catalyze a user community across science and technology. Although the focus is on metals, several of the proposed techniques are applicable to a significantly wider range of materials and applications."

Fields of science (EuroSciVoc)

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Keywords

Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)

Programme(s)

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Topic(s)

Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.

Funding Scheme

Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.

ERC-COG - Consolidator Grant

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Call for proposal

Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.

(opens in new window) ERC-2017-COG

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Host institution

EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH
Net EU contribution

Net EU financial contribution. The sum of money that the participant receives, deducted by the EU contribution to its linked third party. It considers the distribution of the EU financial contribution between direct beneficiaries of the project and other types of participants, like third-party participants.

€ 1 995 128,00
Address
Raemistrasse 101
8092 Zuerich
Switzerland

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Region
Schweiz/Suisse/Svizzera Zürich Zürich
Activity type
Higher or Secondary Education Establishments
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Total cost

The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.

€ 1 995 128,00

Beneficiaries (1)

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