Decoding the Mechanics of Metals by Coarse-Grained Atomistics

Project Information

COGRA

Grant agreement ID: 770754

DOI

10.3030/770754

Project closed

EC signature date 11 January 2018

Start date 1 March 2018

End date 31 August 2024

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 995 128,00

EU contribution

€ 1 995 128,00

Coordinated by

EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZUERICH
Switzerland

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Non-peer reviewed articles (1)

Nonequilibrium thermomechanics of Gaussian phase packet crystals: Application to the quasistatic quasicontinuum method

Author(s): Prateek Gupta, Michael Ortiz, Dennis M. Kochmann
Published in: Journal of the Mechanics and Physics of Solids, Issue 153, 2021, Page(s) 104495, ISSN 0022-5096
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.jmps.2021.104495

Peer reviewed articles (9)

Finite-temperature grain boundary properties from quasistatic atomistics

Author(s): Miguel Spínola, Shashank Saxena, Prateek Gupta, Brandon Runnels, Dennis M. Kochmann
Published in: Computational Materials Science, Issue 244, 2024, Page(s) 113270, ISSN 0927-0256
Publisher: Elsevier BV
DOI: 10.1016/j.commatsci.2024.113270

AQCNES: A Quasi-Continuum Non-EquilibriumSolver

Author(s): Gerhard Bräunlich, Shashank Saxena, Manuel Weberndorfer, Miguel Spinola, Prateek Gupta, Dennis M. Kochmann
Published in: Journal of Open Source Software, Issue 9, 2024, Page(s) 7068, ISSN 2475-9066
Publisher: N/A
DOI: 10.21105/joss.07068

GNN-assisted phase space integration with application to atomistics

Author(s): Shashank Saxena, Jan-Hendrik Bastek, Miguel Spinola, Prateek Gupta, Dennis M. Kochmann
Published in: Mechanics of Materials, Issue 182, 2023, Page(s) 104681, ISSN 0167-6636
Publisher: Elsevier BV
DOI: 10.1016/j.mechmat.2023.104681

Atomistic insight into three-dimensional twin embryo growth in Mg alloys

Author(s): Yang Hu, Dennis M. Kochmann
Published in: J. Mater. Sci., 2023, ISSN 0022-2461
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s10853-023-08263-3

Roadmap on multiscale materials modeling

Author(s): Erik van der Giessen, Peter A Schultz, Nicolas Bertin, Vasily V Bulatov, Wei Cai, Gábor Csányi, Stephen M Foiles, M G D Geers, Carlos González, Markus Hütter, Woo Kyun Kim, Dennis M Kochmann, Javier LLorca, Ann E Mattsson, Jörg Rottler, Alexander Shluger, Ryan B Sills, Ingo Steinbach, Alejandro Strachan, Ellad B Tadmor
Published in: Modelling and Simulation in Materials Science and Engineering, Issue 28/4, 2020, Page(s) 043001, ISSN 0965-0393
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-651x/ab7150

A fast atomistic approach to finite-temperature surface elasticity of crystalline solids

Author(s): Shashank Saxena; Miguel Spinola; Prateek Gupta; Dennis M. Kochmann
Published in: Computational Materials Science, 211, Issue 2, 2022, Page(s) 111511, ISSN 0927-0256
Publisher: Elsevier BV
DOI: 10.1016/j.commatsci.2022.111511

A mixed-order quasicontinuum approach for beam-based architected materials with application to fracture

Author(s): Kevin Kraschewski, Gregory P. Phlipot, Dennis M. Kochmann
Published in: Computational Mechanics, 2024, ISSN 0178-7675
Publisher: Springer Verlag
DOI: 10.1007/s00466-024-02528-7

Unconventional {101¯2} twinning assisted by pyramidal II stacking faults

Author(s): Yang Hu, Dennis M. Kochmann
Published in: Materials Research Letters, Issue 1-8, 2024, Page(s) 1-8, ISSN 2166-3831
Publisher: Taylor and Francis Group
DOI: 10.1080/21663831.2024.2406910

Atomistic-informed phase field modeling of magnesium twin growth by disconnections

Author(s): Yang Hu, Dennis M. Kochmann, Brandon Runnels
Published in: Acta Materialia, Issue 284, 2024, Page(s) 120564, ISSN 1359-6454
Publisher: Elsevier BV
DOI: 10.1016/j.actamat.2024.120564

Other (1)

Atoms are small and fast, devices are big and slow: COGRA bridges the gap

Author(s): Dennis M. Kochmann
Published in: The Project Repository Journal, Issue 12, 2022
Publisher: European Dissemination Media Agency Ltd
DOI: 10.54050/prj1218334