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VIRMETAL SIGNED

Virtual Design, Virtual Processing and Virtual Testing of Metallic Materials

Total Cost €

EC-Contrib. €

Partnership

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Outcomes and
results

VIRMETAL project word cloud

Explore the words cloud of the VIRMETAL project. It provides you a very rough idea of what is the project "VIRMETAL" about.

structure industrial strategies revolutionary virmetal capability principles ab simulations materials aerospace energy industries integral relationship sectors alloys critical simulation proven tools calibration engineering expansion manufactured bridging select transport academia computed computational efforts begin cascade standard generation si accomplished continuous automotive precisely once virtual initio actually scales mg considerable hierarchical experiments rail tested modeling zn industry everything breakthrough validation tackled develops length laboratory multiscale metallic optimized time designed al cast carry nevertheless first

Project "VIRMETAL" data sheet

The following table provides information about the project.

Coordinator	FUNDACION IMDEA MATERIALES Organization address address: CALLE ERIC KANDEL 2 PARQUE CIENTIFICO Y TECNOLOGICO TECNOGETAFE city: GETAFE postcode: 28906 website: www.materials.imdea.org contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.
Coordinator Country	Spain [ES]
Project website	http://materials.imdea.org/proyecto/virmetal/
Total cost	2˙466˙250 €
EC max contribution	2˙466˙250 € (100%)
Programme	1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
Code Call	ERC-2014-ADG
Funding Scheme	ERC-ADG
Starting year	2015
Duration (year-month-day)	from 2015-11-01 to 2020-10-31

Partnership

Take a look of project's partnership.

#	participants	country	role	EC contrib. [€]
1	FUNDACION IMDEA MATERIALES FUNDACION IMDEA MATERIALES Organization address address: CALLE ERIC KANDEL 2 PARQUE CIENTIFICO Y TECNOLOGICO TECNOGETAFE city: GETAFE postcode: 28906 website: www.materials.imdea.org contact info title: n.a. name: n.a. surname: n.a. function: n.a. email: n.a. telephone: n.a. fax: n.a.	ES (GETAFE)	coordinator	2˙466˙250.00

Map

Project objective

The project VIRMETAL is aimed at developing multiscale modeling strategies to carry out virtual design, virtual processing and virtual testing of advanced metallic alloys for engineering applications so new materials can be designed, tested and optimized before they are actually manufactured in the laboratory. The focus of the project is on materials engineering i.e. understanding how the structure of the materials develops during processing (virtual processing), the relationship between this structure and the properties (virtual testing) and how to select materials for a given application (virtual design).

Multiscale modeling will be tackled using a bottom-up, hierarchical, modeling approach. Modeling efforts will begin with ab initio simulations and bridging of the length and time scales will be accomplished through different multiscale strategies which will encompass the whole range of length and time scales required by virtual design, virtual processing and virtual testing. Nevertheless, not everything can or should be computed and critical experiments are an integral part of the research program for the calibration and validation of the multiscale strategies.

The research will be focused on two cast metallic alloys from the Al-Si-Mg and Mg-Al-Zn systems. The expected breakthrough is precisely to demonstrate that the structure and properties of two standard engineering alloys of considerable industrial interest can be obtained from first principles by bridging a cascade of modeling tools at the different length scales. Once this is proven, further research will lead to the continuous expansion of both the number and the capability of multiscale simulation tools, leading to widespread application of Computational Materials Engineering in academia and industry. This will foster the implementation of this new revolutionary technology in leading European industries from aerospace, automotive, rail transport, energy generation and engineering sectors.

Publications

List of publications.
year	authors and title	journal	last update
2020	S. Haouala, R. Alizadeh, T.R. Bieler, J. Segurado, J. LLorca Effect of slip transmission at grain boundaries in Al bicrystals published pages: 102600, ISSN: 0749-6419, DOI: 10.1016/j.ijplas.2019.09.006	International Journal of Plasticity 126	2020-04-24
2019	Gustavo Esteban-Manzanares, Anxin Ma, Ioannis Papadimitriou, Enrique MartÃnez, Javier LLorca Basal dislocation/precipitate interactions in Mgâ€“Al alloys: an atomistic investigation published pages: 75003, ISSN: 0965-0393, DOI: 10.1088/1361-651x/ab2de0	Modelling and Simulation in Materials Science and Engineering 27/7	2020-04-24
2020	R. Santos-GÃ¼emes, B. BellÃ³n, G. Esteban-Manzanares, J. Segurado, L. Capolungo, J. LLorca Multiscale modelling of precipitation hardening in Alâ€“Cu alloys: Dislocation dynamics simulations and experimental validation published pages: 475-485, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2020.02.019	Acta Materialia 188	2020-04-24
2020	G. Esteban-Manzanares, R. Santos-GÃ¼emes, I. Papadimitriou, E. MartÃnez, J. LLorca Influence of the stress state on the cross-slip free energy barrier in Al: An atomistic investigation published pages: 109-119, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2019.10.055	Acta Materialia 184	2020-04-24
2020	S. Haouala, S. Lucarini, J. LLorca, J. Segurado Simulation of the Hall-Petch effect in FCC polycrystals by means of strain gradient crystal plasticity and FFT homogenization published pages: 103755, ISSN: 0022-5096, DOI: 10.1016/j.jmps.2019.103755	Journal of the Mechanics and Physics of Solids 134	2020-04-24
2019	Zhilin Liu, Ioannis Papadimitriou, Miguel Castillo-RodrÃguez, Chuanyun Wang, Gustavo Esteban-Manzanares, Xiaoming Yuan, Hark H. Tan, Jon M. Molina-AldareguÃa, Javier Llorca Mechanical Behavior of InP Twinning Superlattice Nanowires published pages: 4490-4497, ISSN: 1530-6984, DOI: 10.1021/acs.nanolett.9b01300	Nano Letters 19/7	2020-04-24
2019	G. Esteban-Manzanares, B. BellÃ³n, E. MartÃnez, I. Papadimitriou, J. LLorca Strengthening of Alâ€“Cu alloys by Guinierâ€“Preston zones: Predictions from atomistic simulations published pages: 103675, ISSN: 0022-5096, DOI: 10.1016/j.jmps.2019.07.018	Journal of the Mechanics and Physics of Solids 132	2019-08-29
2019	T.R. Bieler, R. Alizadeh, M. PeÃ±a-Ortega, J. Llorca An analysis of (the lack of) slip transfer between near-cube oriented grains in pure Al published pages: 269-290, ISSN: 0749-6419, DOI: 10.1016/j.ijplas.2019.02.014	International Journal of Plasticity 118	2019-08-29
2019	R. Arturo Rubio, Sarra Haouala, Javier LLorca Grain boundary strengthening of FCC polycrystals published pages: 2263-2274, ISSN: 0884-2914, DOI: 10.1557/jmr.2019.58	Journal of Materials Research 34/13	2019-08-29
2019	Marina Pushkareva, Federico Sket, Javier Segurado, Javier Llorca, Mohammed Yandouzi, Arnaud Weck Effect of grain orientation and local strains on void growth and coalescence in titanium published pages: 258-266, ISSN: 0921-5093, DOI: 10.1016/j.msea.2019.06.004	Materials Science and Engineering: A 760	2019-08-29
2016	Guanglong Xu, Chuanyun Wang, Juan Ignacio BeltrÃ¡n, Javier LLorca, Yuwen Cui Landau modeling of dynamical nucleation of martensite at grain boundaries under local stress published pages: 103-111, ISSN: 0927-0256, DOI: 10.1016/j.commatsci.2016.02.042	Computational Materials Science 118	2019-07-04
2017	H. Liu, B. BellÃ³n, J. LLorca Multiscale modelling of the morphology and spatial distribution of Î¸â€² precipitates in Al-Cu alloys published pages: 611-626, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2017.04.042	Acta Materialia 132	2019-07-04
2018	M. A. MonclÃºs, M. Callisti, T. Polcar, L. W. Yang, J. M. Molina-AldareguÃa, J. LLorca Effect of layer thickness on the mechanical behaviour of oxidation-strengthened Zr/Nb nanoscale multilayers published pages: 5860-5878, ISSN: 0022-2461, DOI: 10.1007/s10853-017-1665-6	Journal of Materials Science 53/8	2019-07-04
2016	Marina Pushkareva, JÃ©rÃ´me Adrien, Eric Maire, Javier Segurado, Javier Llorca, Arnaud Weck Three-dimensional investigation of grain orientation effects on void growth in commercially pure titanium published pages: 221-232, ISSN: 0921-5093, DOI: 10.1016/j.msea.2016.06.053	Materials Science and Engineering: A 671	2019-07-04
2016	Hyung-Jun Chang, Javier Segurado, Jon M Molina-AldareguÃa, Rafael Soler A 3D dislocation dynamics analysis of the size effect on the strength of [1 1 1] LiF micropillars at 300K and 600K published pages: 35009, ISSN: 0965-0393, DOI: 10.1088/0965-0393/24/3/035009	Modelling and Simulation in Materials Science and Engineering 24/3	2019-07-04
2018	A. Cruzado, S. Lucarini, J. LLorca, J. Segurado Microstructure-based fatigue life model of metallic alloys with bilinear Coffin-Manson behavior published pages: 40-48, ISSN: 0142-1123, DOI: 10.1016/j.ijfatigue.2017.10.014	International Journal of Fatigue 107	2019-07-04
2016	Jingya Wang, Na Li, Chuanyun Wang, Juan Ignacio Beltran, Javier LLorca, Yuwen Cui Computational study of atomic mobility in hcp Mgâ€“Alâ€“Zn ternary alloys published pages: 134-143, ISSN: 0364-5916, DOI: 10.1016/j.calphad.2016.07.003	Calphad 54	2019-07-04
2018	A. Cruzado, S. Lucarini, J. LLorca, J. Segurado Crystal plasticity simulation of the effect of grain size on the fatigue behavior of polycrystalline Inconel 718 published pages: 236-245, ISSN: 0142-1123, DOI: 10.1016/j.ijfatigue.2018.04.018	International Journal of Fatigue 113	2019-07-04
2018	Javier LLorca On the quest for the strongest materials published pages: 264-265, ISSN: 0036-8075, DOI: 10.1126/science.aat5211	Science 360/6386	2019-07-04
2017	M.A. MonclÃºs, M. Callisti, T. Polcar, L.W. Yang, J. Llorca, J.M. Molina-AldareguÃa Selective oxidation-induced strengthening of Zr/Nb nanoscale multilayers published pages: 1-10, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2016.09.021	Acta Materialia 122	2019-07-04
2018	A. RodrÃguez-Veiga, B. BellÃ³n, I. Papadimitriou, G. Esteban-Manzanares, I. Sabirov, J. LLorca A multidisciplinary approach to study precipitation kinetics and hardening in an Al-4Cu (wt. %) alloy published pages: 504-519, ISSN: 0925-8388, DOI: 10.1016/j.jallcom.2018.04.284	Journal of Alloys and Compounds 757	2019-07-04
2018	L.W. Yang, C.Y. Wang, M.A. MonclÃºs, L. Lu, J.M. Molina-AldareguÃa, J. Llorca Influence of temperature on the strain rate sensitivity and deformation mechanisms of nanotwinned Cu published pages: 54-59, ISSN: 1359-6462, DOI: 10.1016/j.scriptamat.2018.05.018	Scripta Materialia 154	2019-07-04
2018	Sarra Haouala, Javier Segurado, Javier LLorca An analysis of the influence of grain size on the strength of FCC polycrystals by means of computational homogenization published pages: 72-85, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2018.01.024	Acta Materialia 148	2019-07-04
2017	J. Snel, M. A. MonclÃºs, M. Castillo-RodrÃguez, N. Mara, I. J. Beyerlein, J. Llorca, J. M. Molina-AldareguÃa Deformation Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness published pages: 2214-2226, ISSN: 1047-4838, DOI: 10.1007/s11837-017-2533-1	JOM 69/11	2019-07-04
2018	R. Santos-GÃ¼emes, G. Esteban-Manzanares, I. Papadimitriou, J. Segurado, L. Capolungo, J. LLorca Discrete dislocation dynamics simulations of dislocation- Î¸ â€² precipitate interaction in Al-Cu alloys published pages: 228-244, ISSN: 0022-5096, DOI: 10.1016/j.jmps.2018.05.015	Journal of the Mechanics and Physics of Solids 118	2019-07-04
2019	G. Esteban-Manzanares, E. MartÃnez, J. Segurado, L. Capolungo, J. LLorca An atomistic investigation of the interaction of dislocations with Guinier-Preston zones in Al-Cu alloys published pages: 189-201, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2018.09.052	Acta Materialia 162	2019-04-18
2018	Z. Liu, M.A. MonclÃºs, L.W. Yang, M. Castillo-RodrÃguez, J.M. Molina-AldareguÃa, J. LLorca Tensile deformation and fracture mechanisms of Cu/Nb nanolaminates studied by in situ TEM mechanical tests published pages: 60-65, ISSN: 2352-4316, DOI: 10.1016/j.eml.2018.10.007	Extreme Mechanics Letters 25	2019-04-18
2019	D. Tourret, M.M. Francois, A.J. Clarke Multiscale dendritic needle network model of alloy solidification with fluid flow published pages: 206-227, ISSN: 0927-0256, DOI: 10.1016/j.commatsci.2019.02.031	Computational Materials Science 162	2019-08-29
2019	Irene J. Beyerlein, Shuozhi Xu, Javier Llorca, Jaafar A. El-Awady, Jaber R. Mianroodi, Bob Svendsen Alloy design for mechanical properties: Conquering the length scales published pages: 257-265, ISSN: 0883-7694, DOI: 10.1557/mrs.2019.67	MRS Bulletin 44/4	2019-08-29
2019	Jingya Wang, Weisen Zheng, Guanglong Xu, Javier Llorca, Yuwen Cui High-throughput extraction of the anisotropic interdiffusion coefficients in hcp Mgâ€“Al alloys published pages: 237-246, ISSN: 0925-8388, DOI: 10.1016/j.jallcom.2019.07.084	Journal of Alloys and Compounds 805	2019-08-29
2019	H. Liu, I. Papadimitriou, F.X. Lin, J. LLorca Precipitation during high temperature aging of Alâˆ’Cu alloys: AÂ multiscale analysis based on first principles calculations published pages: 121-135, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2019.01.024	Acta Materialia 167	2019-08-29
2019	J.-Y. Wang, N. Li, R. Alizadeh, M.A. MonclÃºs, Y.W. Cui, J.M. Molina-AldareguÃa, J. LLorca Effect of solute content and temperature on the deformation mechanisms and critical resolved shear stress in Mg-Al and Mg-ZnÂ alloys published pages: 155-165, ISSN: 1359-6454, DOI: 10.1016/j.actamat.2019.03.027	Acta Materialia 170	2019-08-29

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