Atomistic simulations of elementary dislocation processes in coherent and semi-coherent y/y'-microstructures (C03) (SFB/TRR 103)

Third Party Funds Group - Sub project


Acronym: SFB/TRR 103

Start date : 01.01.2012

End date : 31.12.2019

Website: http://www.sfb-transregio103.de

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Types of publications

Journal article
Book chapter / Article in edited volumes
Authored book
Translation
Thesis
Edited Volume
Conference contribution
Other publication type
Unpublished / Preprint

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Journal

Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases (2021) Xie Z, Chauraud D, Bitzek E, Korte-Kerzel S, Guénolé J Journal article Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS (2020) Guénolé J, Nöhring WG, Vaid A, Houlle F, Xie Z, Prakash A, Bitzek E Journal article Combining Experiments and Atom Probe Tomography-Informed Simulations on γ′ Precipitation Strengthening in the Polycrystalline Ni-Base Superalloy A718Plus (2020) Kirchmayer A, Lyu H, Pröbstle M, Houlle F, Förner A, Huenert D, Göken M, et al. Journal article Fracture ab initio: A force-based scaling law for atomistically informed continuum models (2018) Möller J, Bitzek E, Janisch R, ul Hassan H, Hartmaier A Journal article, Original article {110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials (2018) Möller J, Mrovec M, Bleskov I, Neugebauer J, Hammerschmidt T, Drautz R, Elsaesser C, et al. Journal article, Original article Atomistic Simulations of Compression Tests on gamma-Precipitate Containing Ni3Al Nanocubes (2018) Houlle F, Walsh F, Prakash A, Bitzek E Journal article, Original article Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ′ Microstructures (2017) Prakash A, Bitzek E Journal article Nanosculpt: A methodology for generating complex realistic configurations for atomistic simulations (2016) Prakash A, Hummel M, Schmauder S, Bitzek E Journal article, Original article Atom probe informed simulations of dislocation-precipitate interactions reveal the importance of local interface curvature (2015) Prakash A, Guenole J, Wang J, Müller J, Spiecker E, Mills MJ, Povstugar I, et al. Journal article, Original article Atomistic Simulations of Compression Tests on Ni3Al Nanocubes (2014) Amodeo J, Begau C, Bitzek E Journal article