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Marie Skłodowska-Curie Actions (MSCA) Marie Skłodowska-Curie Individual Fellowships H2020-MSCA-IF-2017.  Grant reference: 793114; Project acronym: NuWeld

The proposed project aims to investigate the crystal/lattice structure and properties of multi-component carbides M7C3, and the mechanisms of carbide refinement in welded hardfacing process through integrated physical based predictive simulation and analysis. The main objectives: 1. To investigate the effects of different solution elements including RE elements on the crystalline/lattice structure and properties of primary M7C3 carbides using the first principle calculation. 2. To develop a new approach to predict the stable chemical compounds formed during the welding process of Fe-Cr-C hardfacings using ab initio evolutionary algorithm techniques and big data system; 3. To develop a new software and interface program to computerise the lattice misfit calculation in order to predict the probability of a compound formed in the welding process to act as the heterogeneous nucleus of primary M7C3 carbides and establish the carbide refinement mechanism. 4. To provide training on specific physical based predictive simulation and advanced analysis by the host and the project partner. This application is based on a novel approach to identify the chemical structure and properties of one most widely used carbides in the welding repair and maintenance process, leading to the development of a practical physical based simulation tool with potential scientific, industrial, economic and environmental impact in both the EU and worldwide. This programme offers an opportunity to cement collaboration between international award winning multidisciplinary research in the Host and partner organisations, several EU Universities and companies). this Individual Fellowship (IF) will significantly accelerate the development of the
research skills and career of the ER, and will open up new areas of research and new external collaborations for the host with academics and industrial partners.

Aims: The proposed project aims to investigate the crystal/lattice structure and properties of multi-alloy chromium (Cr)-based carbides M7C3, and the mechanisms of carbide refinement in iron based welded hardfacing process, through integrated physical based predictive simulation and analysis.
Main objectives:
1. To investigate the effects of different solution elements including RE elements on the crystal/lattice structure and properties of primary (Fe, Cr)7C3 using the first principle calculation. (OGJ_1)
2. To develop a new approach to predict the stable chemical compounds formed during the welding process of Fe-Cr-C hardfacings using ab initio evolutionary algorithm techniques. (OBG_2)
3. To develop a new software and interface program to computerise the lattice misfit calculation in order to predict the probability of a compound formed in the welding process to act as the heterogeneous nucleus of primary M7C3 and establish the carbide refinement mechanism (OBJ_3)
4. To provide training on specific physical based simulation and analysis by the host and the project partner through secondments (OBJ_4)
Overview of the action: A career-accelerator development plan will be implemented on the foundation of an inter/multidisciplinary research programme that builds on, and expands the developments of the previous American Welding Society award-winning research into welded hardfacings. The project will focus on two main specific research areas: crystal/lattice structure of multiple elements M7C3 carbide and heterogeneous carbide nucleation during the welding process, both requiring in-depth multidisciplinary physical based simulation and analysis. A structured training programme will be embedded in the research programme for the ER to acquire the key interdisciplinary skills, knowledge, decision making as well as the critical thinking skills through working together with a team of established researchers. Both the training and the associated research programme will include a significant dissemination element, involving a series of secondment and knowledge exchange visits, and public engagement activities. Each of the scientific objectives will incorporate a clear training and knowledge transfer between ER, the host and the project partner as well as different disseminate the action.

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