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Just another WordPress site - Ruhr-Universität Bochum

RUB, Marquard
PD Dr. habil. Rebecca Janisch

Research Group Leader

Department:

  • Micromechanical and Macroscopic Modelling

Group: Mechanical Properties of Interfaces

ICAMS

Contact

ICAMS
Ruhr-Universität Bochum
IC 02-503
Universitätsstr. 150
44801 Bochum

Tel.: +49 234 32 29304
E-Mail: rebecca.janisch@rub.de

ORCID ID: 0000-0003-2136-0788

Research

Connecting properties with mechanisms.
ICAMS 2020

I want to understand the mechanical properties of material microstructures "from the bottom up", where the bottom can be the behaviour of atoms or even electrons in the microstructure.
I'm investigating the impact of defects (mainly phase and grain boundaries) in metals and alloys on the mechanical properties of microstructures and try to relate these effects to the fundamental defect properties like structure, stiffness and strength. Ideally, these relationships can be captured by analytic expressions which can serve as constitutive relationships for multiscale mechanical modeling.

Competences

Mechanical properties of interfaces
Ab initio electronic structure calculations
Development of scale bridging methods

Publications
  • O. Sen, R. Janisch
    Crack configuration influence on fracture behavior and stress shielding: insights from molecular dynamics simulations. Modelling and Simulation in Materials Science and Engineering, 32, 065033, (2024)
  • A. Azócar Guzmán, R. Janisch
    Effects of mechanical stress, chemical potential, and coverage on hydrogen solubility during hydrogen-enhanced decohesion of ferritic steel grain boundaries: A first-principles study. Physical Review Materials, 8, 073601, (2024)
  • S. Hamdani, S. Abdeslam, A. Hartmaier, R. Janisch
    Atomistic simulation of the influence of semi-coherent interfaces in the V/Fe bilayer system on plastic deformation during nanoindentation. Modelling and Simulation in Materials Science and Engineering, 32, 045012, (2024)
  • T. Schmalofski, M. Kroll, H. Dette, R. Janisch
    Towards active learning: A stopping criterion for the sequential sampling of grain boundary degrees of freedom. Materialia, 31, 101865, (2023)
  • A. Chauniyal, R. Janisch
    How coherent and semi-coherent interfaces govern dislocation nucleation in lamellar TiAl alloys. Advanced Engineering Materials, 25, 2300121, (2023)
  • S. Motahari, A. Chauniyal, R. Janisch
    Investigating the microplastic behavior of hierarchical polycrystalline γ-TiAl microstructures. Computational Materials Science, 226, 112197, (2023)
  • M. Kroll, T. Schmalofski, H. Dette, R. Janisch
    Efficient prediction of grain boundary energies from atomistic simulations via sequential design. Advanced Theory and Simulations, 5, 2100615, (2022)
  • A. Neogi, R. Janisch
    Unravelling the lamellar size-dependent fracture behavior of fully lamellar intermetallic γ -TiAl. Acta Materialia, 227, 117698, (2022)
  • A. Chauniyal, G. Dehm, R. Janisch
    On the role of pre-existing defects in influencing hardness in nanoscale indentations — insights from atomistic simulations. Journal of Mechanics and Physics of Solids, 154, 104511, (2021)
  • A. Neogi, R. Janisch
    Twin-boundary assisted crack tip plasticity and toughening in lamellar γ -TiAl. Acta Materialia, 213, 116924, (2021)
  • M. Ramaswamy Guru Prasad, A. Neogi, N. Vajragupta, R. Janisch, A. Hartmaier
    Influence of temperature on void collapse in single crystal nickel under hydrostatic compression. Materials, 14, 2369, (2021)
  • J. Wu, Z. Wu, L. Liu, A. Hartmaier, et al.
    MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing. Journal of Materials Chemistry C, 7, 2258-2275, (2021)
  • A. Azócar Guzmán, J. Jeon, A. Hartmaier, R. Janisch
    Hydrogen embrittlement at cleavage planes and grain boundaries in bcc iron—revisiting the first-principles cohesive zone model. Materials, 13, 5785, (2020)
  • A. Chauniyal, R. Janisch
    Influence of lattice misfit on the deformation behaviour of α2/γ lamellae in TiAl alloys. Materials Science and Engineering: A, 796, 140053, (2020)
  • A. Neogi, M. Alam, A. Hartmaier, R. Janisch
    Anisotropic failure behavior of ordered intermetallic TiAl alloys under pure mode-I loading. Modelling and Simulation in Materials Science and Engineering, 28, 065016, (2020)
  • L. Zhao, M. Alam, J. Zhang, R. Janisch, A. Hartmaier
    Amorphization-governed elasto-plastic deformation under nanoindentation in cubic (3C) silicon carbide. Ceramics International, 46, 12470–12479, (2020)
  • X. Huang, R. Janisch
    Partitioning of interstitial segregants during decohesion: a DFT case study of the Σ3 symmetric tilt grain boundary in ferritic steel. Materials, 12, 2971, (2019)
  • A. Subramanyam, A. Azócar Guzmán, S. Vincent, A. Hartmaier, R. Janisch
    Ab initio study of the combined effects of alloying elements and H on grain boundary cohesion in ferritic steels. Metals, 9, 291, (2019)
  • J. Möller, E. Bitzek, R. Janisch, H. ul Hassan, A. Hartmaier
    Fracture ab initio: A force-based scaling law for atomistically informed continuum models. Journal of Materials Research, 33, 3750 - 3761, (2018)
  • M. Kanani, A. Hartmaier, R. Janisch
    The shear instability energy: A new parameter for materials design?. Modelling and Simulation in Materials Science and Engineering, 25, 075009, (2017)
  • H. Dette, J. Gösmann, C. Greiff, R. Janisch
    Efficient sampling in materials simulation - Exploring the parameter space of grain boundaries. Acta Materialia, 125, 145-155, (2017)
  • J. Wang, R. Janisch, G. Madsen, R. Drautz
    First-principles study of carbon segregation in bcc iron symmetrical tilt grain boundaries. Acta Materialia, 115, 259-268, (2016)
  • M. Kanani, A. Hartmaier, R. Janisch
    Stacking fault based analysis of shear mechanisms at interfaces in lamellar TiAl alloys. Acta Materialia, 106, 208-218, (2016)
  • S. Sampath, R. Rementeria, X. Huang, J. D. Poplawsky, et al.
    The role of silicon, vacancies, and strain in carbon distribution in low temperature bainite. Journal of Alloys and Compounds, 673, 289-294, (2016)
  • X. Pang, R. Janisch, A. Hartmaier
    Interplanar potential for tension-shear coupling at grain boundaries derived from ab initio calculations. Modelling and Simulation in Materials Science and Engineering, 24, 015007, (2016)
  • M. Kanani, A. Hartmaier, R. Janisch
    Interface properties in lamellar TiAl microstructures from density functional theory. Intermetallics, 54, 154-163, (2014)
  • K. Chockalingam, R. Janisch, A. Hartmaier
    Coupled atomistic-continuum study of the effects of C atoms at α-Fe dislocation cores. Modelling and Simulation in Materials Science and Engineering, 22, 075007, (2014)
  • A. Tahir, R. Janisch, A. Hartmaier
    Hydrogen embrittlement of a carbon segregated Σ5(310)[001] symmetrical tilt grain boundary in α-Fe. Material Science and Engineering A, 612, 462-467, (2014)
  • A. Tahir, R. Janisch, A. Hartmaier
    Ab initio calculation of traction separation laws for a grain boundary in molybdenum with segregated C impurites. Modelling and Simulation in Materials Science and Engineering, 21, 16, (2013)
  • S. Sampath, R. Janisch
    Ab initio prediction of the critical thickness of a precipitate. Journal of Physics: Condensed Matter, 25, 355005, (2013)
  • X. Pang, N. Ahmed, R. Janisch, A. Hartmaier
    The mechanical shear behavior of Al single crystals and grain boundaries. Journal of Applied Physics, 112, 023503, (2012)
  • M. Prechtel, P. Leiva-Ronda, R. Janisch, A. Hartmaier, et al.
    Simulation of fracture in heterogeneous elastic materials with cohesive zone models. International Journal of Fracture, 168, 15-29, (2011)
  • E. Hristova, R. Janisch, R. Drautz, A. Hartmaier
    Solubility of carbon in α-iron under volumetric strain and close to the Σ5(310)[001] grain boundary: Comparison of DFT and empirical potential methods. Computational Materials Science, 50, 1088-1096, (2011)
  • R. Janisch, N. Ahmed, A. Hartmaier
    Ab initio tensile tests of Al bulk crystals and grain boundaries: universality of mechanical behaviour. Physical Review B, 81, 184108, (2010)
  • R. Janisch, C. Elsässer
    Interstitial impurities at grain boundaries in metals: insight from atomistic calculations. International Journal of Materials Research, 100, 1488-1493, (2009)
  • A. Böhner, R. Janisch, A. Hartmaier
    Ab initio investigation of diamond coatings on steel. Scripta Materialia, 60, 504-507, (2009)
  • R. Janisch, C. Elsässer
    Growth and mechanical properties of a MoC precipitate at a Mo grain boundary: an ab initio density functional study. Physical Review B, 77, 094118-1-9, (2008)
  • S. Gemming, R. Janisch, M. Schreiber, N. A. Spaldin
    Density-functional investigation of the (113)[-110] twin grain boundary in Co-doped anatase TiO2 and its influence on magnetism in dilute magnetic semiconductors. Physical Review B, 76, 045204, (2007)
  • R. Janisch, N. A. Spaldin
    Understanding ferromagnetism in Co-doped TiO2 anatase from first principles. Physical Review B, 73, 035201, (2006)
  • R. Janisch, P. Gopal, N. A. Spaldin
    Transition metal-doped TiO2 and ZnO - present status of the field. Journal of Pysics: Condensed Matter , 17, R657-R689, (2005)
  • R. Janisch, Elsässer
    Segregated light elements at grain boundaries in Niobium and Molybdenum. Physical Review B, 67, 224101, (2003)
Talks and Posters
  • 02.04.2025
    Rebecca Janisch
    Hydrogen trapping and embrittlement at grain boundaries: From DFT data to real material behaviour invited
    CECAM Flagship Workshop "Fulfilling the Multiscale Promise in Materials: Getting Information out of the Atomistic Scale" CECAM Headquarter, Lausanne, Switzerland
  • 26.02.2025
    Rebecca Janisch
    Einblicke aus ab-initio Elektronenstruktur-Rechnungen in das Zusammenspiel von atomarer Korngrenzenstruktur, lokaler Spannung und Wasserstoffpartialdruck bei der Wasserstoff-verstärkten Dekohäsion von Grenzflächen in Metallen invited
    13. Gefüge und Bruch Tagung 2025 Montanuniversität Leoben, Austria
  • 23.09.2024
    Rebecca Janisch, Abril Azócar Guzmán
    The role of chemical potential and residual stress on H trapping and embrittlement at grain boundaries: A first principles cohesive zone model invited
    Multiscale Materials Modeling Conference (MMM 11), Prague, Czech Republic
  • 12.09.2024
    Rebecca Janisch
    1001 grain boundary stories invited
    Mike Finnis 75th Birthday Symposium, Imperial College London, UK
  • 23.06.2024
    Rebecca Janisch, Abril Azócar Guzmán
    Hydrogen trapping at grain boundaries and its effect on interfacial cohesion: The role of H chemical potential and residual stress invited
    EPRI Hydrogen Embrittlement Workshop, University of Oxford, UK
  • 18.03.2024
    Rebecca Janisch, Abril Azócar Guzmán
    Effect of mechanical stress, chemical potential, and coverage on hydrogen solubility during decohesion of ferritic steel grain boundaries
    DPG Frühjahrstagung 2024, Berlin, Germany
  • 05.09.2023
    Timo Schmalofski, Martin Kroll, Pascal Thome, Holger Dette, Rebecca Janisch
    Active learning approach for grain boundary parameter space sampling
    FEMS EUROMAT 2023, Frankfurt am Main, Germany
  • 05.09.2023
    Michael Burtscher, Onur Sen, Markus Alfreider, Ashish Chauniyal, et al.
    Scale bridging evaluation of the fracture behavior of an advanced TiAl alloy
    COMPLAS 2023, Barcelona, Spain
  • 05.09.2023
    Rebecca Janisch, Anupam Neogi, Onur Sen, Ashish Chauniyal
    Deformation and fracture of lamellar γ-TiAl microstructures: Insights from atomistic simulations
    FEMS EUROMAT 2023, Frankfurt am Main, Germany
  • 28.03.2023
    Rebecca Janisch, Anupam Neogi
    Atomistic studies of crack tip twin-boundary interactions in lamellar TiAl alloys: Effect of misfit, misorientation and lamella spacing
    DPG Frühjahrstagung 2023, Dresden, Germany
  • 27.03.2023
    Timo Schmalofski, Martin Kroll, Rebecca Janisch, Holger Dette
    An efficiently automated method to sample the energies of grain boundaries
    DPG Frühjahrstagung 2023, Dresden, Germany
  • 27.03.2023
    Onur Sen, Rebecca Janisch
    Atomistic simulations of crack-tip interface interactions in lamellar TiAl microstructures
    DPG Frühjahrstagung 2023, Dresden, Germany
  • 28.09.2022
    Rebecca Janisch, Anupam Neogi
    Crack twin-boundary interactions in lamellar TiAl alloys
    Materials Science and Engineering (MSE) Congress 2022, Darmstadt, Germany
  • 28.09.2022
    Ashish Chauniyal, Rebecca Janisch
    How interfaces dictate plasticity in nanolamellar alloys: an atomistic investigation using lamellar TiAl as a case study
    Material Science and Engineering (MSE) Congress 2022, Darmstadt, Germany
  • 28.09.2022
    Ashish Chauniyal, Rebecca Janisch
    Influence of pre-existing defects on nanoindentation: insights from atomistic simulations
    Material Science and Engineering (MSE) Congress 2022, Darmstadt, Germany
  • 13.09.2022
    Rebecca Janisch, Anupam Neogi, Ashish Chauniyal
    Crack twin-boundary interactions in lamellar γ-titanium aluminide alloys invited
    Materials Structure and Micromechanics of Fracture 10 (MSMF 10), Brnǒ, Czech Republic
  • 05.09.2022
    Timo Schmalofski, Martin Kroll, Rebecca Janisch, Holger Dette
    An efficient method to access the grain boundary parameter space with atomistic simulations
    DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
  • 04.07.2022
    Rebecca Janisch, Abril Azócar Guzmán, Alexander Hartmaier
    Hydrogen enhanced decohesion in ferritic steels - a reassessment of the first-principles cohesive zone model invited
    European Solid Mechanics Conference 2022 (ESMC 2022), Galway, Ireland
  • 20.06.2022
    Timo Schmalofski, Martin Kroll, Rebecca Janisch, Holger Dette
    An efficient sequential approach to sample the grain boundary parameter space
    MRD Materials Day 2022, Ruhr-Universität Bochum, Germany
  • 24.03.2022
    Rebecca Janisch, Abril Azócar Guzmán, Aparna Subramanyam, Smobin Vincent, et al.
    Trapping of hydrogen at grain boundaries in ferritic steels – the role of grain boundary structure and composition invited
    International Seminar Series on the Microstructure of Materials, online event
  • 06.12.2021
    Timo Schmalofski, Rebecca Janisch, Martin Kroll, Holger Dette
    Sampling the parameter space of grain boundaries with a sequential sampling technique - atomistics meets statistics
    4th Young Materials Researchers Day, Ruhr-Universität Bochum, Germany
  • 28.09.2021
    Timo Schmalofski, Martin Kroll, Holger Dette, Rebecca Janisch
    An efficient sequential approach to sample the grain boundary parameter space
    84th Annual Meeting of DPG of the Condensed Matter Section, online event
  • 30.11.2020
    Timo Schmalofski, Rebecca Janisch, Martin Kroll, Holger Dette
    Sampling of multidimensional energy subspaces of grain boundaries through MD simulations
    3rd Young Materials Researchers Day RUB, Bochum, Germany, online 30.11.2020
  • 04.11.2020
    Rebecca Janisch, Abril Azócar Guzmán, Xiang Huang, Jeongwook Jeon
    Hydrogen-enhanced decohesion at grain boundaries in ferritic steels invited
    ADIS Workshop (Ab-Initio Description of Iron and Steel) 2020 online workshop
  • 24.09.2020
    Abril Azócar Guzmán, Jeongwook Jeon, Alexander Hartmaier, Rebecca Janisch
    Ab initio analysis of hydrogen solution, segregation and embrittlement at cleavage plains and at a grain boundary in ferritic steel
    Materials Science and Engineering Congress 2020 online conference, TU Darmstadt, Germany
  • 22.09.2020
    Anupam Neogi, Alexander Hartmaier, Rebecca Janisch
    Orientation-dependent fracture behaviour of single crystal and two-phase intermetallic TiAl
    Materials Science and Engineering Congress 2020 online conference, TU Darmstadt, Germany
  • 01.09.2019
    Rebecca Janisch, Johannes Möller, Erik Bitzek, Hamad Hassan, Alexander Hartmaier
    Segregation and embrittlement at grain boundaries in multicomponent steel – insights from ab-initio calculations invited
    EUROMAT 2019 Stockholm, Sweden
  • 22.08.2019
    Rebecca Janisch, Johannes Möller, Erik Bitzek, Hamad Hassan, Alexander Hartmaier
    Atomistic aspects of deformation and fracture invited
    DCMS MATERIALS 4.0 summer school Deep Mechanics Dresden, Germany
  • 05.08.2019
    Anupam Neogi, Alexander Hartmaier, Rebecca Janisch
    Atomistic simulation of fracture in lamellar TiAl microstructures
    ISAM4-2019: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (IIS UTokyo SYMPOSIUM No. 101), Friedrich-Alexander Universität Erlangen-Nürnberg (FAU), Germany
  • 06.08.2019
    Anupam Neogi, Rebecca Janisch, Alexander Hartmaier
    Atomistic simulation of fracture in lamellar TiAl microstructures
    ISAM4-2019: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, Friedrich-Alexander Universität Erlangen-Nürnberg (FAU), Germany
  • 13.06.2019
    Rebecca Janisch
    Is hydrogen-enhanced decohesion at grain boundaries in ferritic steels a consequence of co-segregation? - Insights from ab-initio calculations invited
    ALEMI workshop Vancouver, Canada
  • 12.06.2019
    Rebecca Janisch, Johannes Möller, Erik Bitzek, Hamad Hassan, Alexander Hartmaier
    Fracture ab initio: a force-based scaling law for atomistically informed continuum models
    Canadian Materials Science Conference Vancouver, Canada
  • 18.04.2019
    Rebecca Janisch
    Is hydrogen-enhanced decohesion at grain boundaries in ferritic steels a consequence of co-segregation? - Insights from ab-initio calculations
    Hydrogen in metals – current understanding and future needs Oxford, United Kingdom
  • 02.04.2019
    Abril Azócar Guzmán, Rebecca Janisch, Alexander Hartmaier
    Size independent description of the strain effects on the segregation of carbon and hydrogen in iron
    DPG Spring Meeting, Regensburg, Germany
  • 02.04.2019
    Rebecca Janisch, Xiang Huang, Alexander Hartmaier
    Partitioning of segregating impurities during grain boundary decohesion
    DPG Spring Meeting, Regensburg, Germany
  • 01.11.2018
    Hamad Hassan, Johannes Möller, Erik Bitzek, Alexander Hartmaier, Rebecca Janisch
    Atomistically informed mesoscale modeling of fracture
    18th International conference on the strength of materials (ICSMA) Osaka, Japan
  • 27.09.2018
    Rebecca Janisch, Ashish Chauniyal, Ankit Izardar, Alexander Hartmaier
    Atomistic simulations of size effects in lamellar TiAl alloys
    Materials Science and Engineering (MSE) Darmstadt, Germany
  • 27.06.2018
    Rebecca Janisch
    Fracture ab initio: Scalable traction-separation laws for single crystals and grain boundaries
    10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
  • 25.06.2018
    Abril Azócar Guzmán, Rebecca Janisch
    Effects of alloying elements on the H-embrittlement of a C segregated grain boundary in α-Fe
    10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
  • 25.06.2018
    Ashish Chauniyal, Rebecca Janisch
    Atomistic simulations of deformation in lamellar TiAl alloys
    10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
  • 14.03.2018
    Johannes Möller, Hamad Hassan, Erik Bitzek, Alexander Hartmaier, Rebecca Janisch
    From inter-atomic forces to stress fields at a crack tip - incorporating the results of atomistic calculations into continuum models
    DPG Spring Meeting, Berlin, Germany
  • 20.06.2017
    Rebecca Janisch, Mansour Kanani, Xueyong Pang, Arshad Tahir, Alexander Hartmaier
    Deformation and fracture at grain boundaries: Can we include atomistic effects in mesoscale descriptions via a few physical parameters? invited
    14th International Conference on Fracture, Ixia, Greece
  • 22.05.2017
    Rebecca Janisch, Mansour Kanani, Xueyong Pang, Alexander Hartmaier
    Atomistic origins of deformation at grain boundaries in Al and TiAl invited
    EMRS Spring Meeting 2017, Strasbourg, France
  • 09.05.2017
    Rebecca Janisch, Josua Gösmann, Christian Greiff, Holger Dette
    Efficient sampling in materials simulation − Exploring the five dimensional parameter space of grain boundaries
    ICAMS Advanced Discussions, Bochum, Germany
  • 03.05.2017
    Rebecca Janisch, Xueyong Pang, Mansour Kanani, Ankit Izardar, Alexander Hartmaier
    Grain boundary properties: Insights from atomistic simulations and their use in mechanical modeling of materials invited
    SFB 986 Materials Science Colloquium, Technical University Hamburg, Germany
  • 22.03.2017
    Rebecca Janisch, Mansour Kanani, Alexander Hartmaier
    The shear instability energy as a new parameter to characterise deformation behaviour of materials
    DPG Spring Meeting, Dresden, Germany
  • 22.03.2017
    Rebecca Janisch, Josua Gösmann, Christian Greiff, Holger Dette
    Efficient sampling in materials simulation - Exploring the parameter space of grain boundaries
    DPG Spring Meeting, Dresden, Germany
  • 20.03.2017
    Aparna Subramanyam, Abril Azócar Guzmán, Rebecca Janisch, Alexander Hartmaier
    Effects of alloying additions on the H embrittlement of a C segregated Σ5 GB in α Fe
    DPG Spring Meeting, Dresden, Germany
  • 03.10.2016
    Aparna Subramanyam, Rebecca Janisch, Alexander Hartmaier
    Effects of manganese on the hydrogen embrittlement of a Carbon segregated grain boundary in α-Fe
    ADIS 2016, Tegernsee, Germany
  • 28.09.2016
    Rebecca Janisch, Aram Asaadi, Ankit Izardar, Alexander Hartmaier
    Molecular dynamics simulations of nano-indentation in lamellar microstructures of TiAl
    MSE 2016: Materials Science and Engineering Congress, Darmstadt, Germany
  • 27.09.2016
    Rebecca Janisch, Mansour Kanani, Alexander Hartmaier
    Shear mechanisms at interfaces in lamellar TiAl alloys from atomistic simulations
    MSE 2016: Materials Science and Engineering Congress, Darmstadt, Germany
  • 01.09.2016
    Rebecca Janisch
    Verformung an Grenzflächen in Al und TiAl: Was lernen wir aus atomistischen Simulationen? invited
    DGM Regionalforum Rhein-Ruhr, Bonn, Germany
  • 31.05.2016
    Rebecca Janisch, Xueyong Pang, Mansour Kanani, Alexander Hartmaier
    Constitutive relationships for grain boundaries from atomistic simulations for multiscale mechanical modelling of metallic microstructures
    Materials Chain International Conference 2016, Bochum, Germany
  • 02.05.2016
    Rebecca Janisch, Mansour Kanani, Xueyong Pang, Alexander Hartmaier
    Constitutive relationships for grain boundaries from atomistic simulations invited
    ICAMS Advanced Discussions 2016, Bochum, Germany
  • 02.05.2016
    Rebecca Janisch
    Constitutive relationships for interfaces from atomistic simulations
    ICAMS Advanced Discussions 2016, Bochum, Germany
  • 28.04.2016
    Rebecca Janisch
    Grain boundary properties from atomistic simulations and their use in mechanical modelling of materials invited
    Fraunhofer IWS Seminar, Dresden, Germany
  • 27.04.2016
    Rebecca Janisch
    Grain boundary properties from atomistic simulations and their use in mechanical modelling of materials invited
    Physikalisches Kolloquium at the Institute of Physics, TU Chemnitz, Germany
  • 06.03.2016
    Rebecca Janisch
    Deformation mechanisms of grain boundaries in Al and TiAl from atomistic simulations invited
    DPG Spring Meeting, Regensburg, Germany
  • 02.10.2015
    Xueyong Pang, Arshad Tahir, Rebecca Janisch, Alexander Hartmaier
    Interplanar potential for tension-shear coupling at grain boundaries from ab initio calculations
    25th International Workshop on Computational Micromechanics, Bochum, Germany
  • 22.06.2015
    Rebecca Janisch
    Can we model the mechanical properties of grain boundaries based on a few material properties? invited
    Workshop on Understanding Grain Boundary Migration: Theory Meets Experiment, Günzburg, Germany
  • 19.03.2015
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Shearing behaviour of interfaces: Linking intrinsic properties with deformation mechanisms
    DPG Spring Meeting 2015, Berlin, Germany
  • 18.03.2015
    Sankari Sampath, Rebecca Janisch
    Influence of alloying elements on the fracture strength of iron
    DPG Spring Meeting 2015, Berlin, Germany
  • 16.03.2015
    Arshad Tahir, Rebecca Janisch, Alexander Hartmaier
    Hydrogen embrittlement of a carbon segregated symmetrical tilt grain boundary in α-Fe
    DPG Spring Meeting 2015, Berlin, Germany
  • 26.02.2015
    Rebecca Janisch
    Energies and mechanical properties of interfaces from ab-initio calculations and their use in mesoscale models invited
    Thomas Young Centre, London, UK
  • 02.01.2015
    Alexander Hartmaier, Karthikeyan Chockalingam, Rehman Hameed, Philipp Schwittek, et al.
    Atomistically informed continuum models for plasticity and fracture of tempered martensite invited
    International Symposium of Plasticity 2015, Montego Bay, Jamaica
  • 01.10.2014
    Alexander Hartmaier, Karthikeyan Chockalingam, Rehman Hameed, Xueyong Pang, et al.
    Atomistically informed continuum models for plasticity and fracture of martensitic steels invited
    24th International Workshop on Computational Mechanics of Materials, Madrid, Spain
  • 24.09.2014
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Atomistic study of deformation mechanisms in TiAl-Ti3Al lamellar microstructure
    Materials Science and Engineering MSE, Darmstadt, Germany
  • 04.07.2014
    Rebecca Janisch
    Insights into mechanical properties of interfaces via atomistic simulations invited
    Seminar at Helmholtz-Zentrum Geesthacht, Geesthacht, Germany
  • 02.07.2014
    Rebecca Janisch
    Modelling and understanding interface behaviour by means of atomistic simulations invited
    Summerschool "Interfaces" of the SFB 986, Drochtersen-Hüll, Germany
  • 03.04.2014
    Xueyong Pang, Rebecca Janisch
    Temperature-dependent shear behaviour of different grain boundaries in aluminum: an MD study
    DPG Spring Meeting 2014, Dresden, Germany
  • 03.04.2014
    Daniel Sopu, Xueyong Pang, Jutta Rogal, Rebecca Janisch, Ralf Drautz
    Comparison of transition path sampling and metadynamics for the study of solid-liquid interface properties
    DPG Spring Meeting, Dresden, Germany
  • 17.03.2014
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Mechanical properties of interfaces in TiAl α2/γ lamellar microstructures: atomistic study
    Winter School International Seminar on Process Chain Simulation and Related Topics, Institute of Technology, Karlsruhe, Germany
  • 19.02.2014
    Rebecca Janisch, Xueyong Pang, Arshad Tahir, Alexander Hartmaier
    Modelling and understanding the strength of grain boundaries based on ab initio results
    TMS Annual Meeting and Exhibition, San Diego, USA
  • 06.11.2013
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Interface properties and deformation mechanism of TiAl α2/γ lamellar microstructures from atomistic simulations
    Materials Day 2013, Ruhr-Universität Bochum, Bochum, Germany
  • 04.11.2013
    Rebecca Janisch
    Mechanical models for grain boundaries based on ab-initio result
    Materials Day 2013, Ruhr-Universität Bochum, Bochum, Germany
  • 01.10.2013
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Interface properties and grain boundary mechanics in a TiAl γ/α2 lamellar microstructure through atomistic simulations
    DGM Intermetallics 2013, Bad Staffelstein, Germany
  • 10.09.2013
    Arshad Tahir, Venkata Naga Ganisetti, Rebecca Janisch, Alexander Hartmaier
    Effect of impurities on inter-granular fracture strength of body centered cubic metals
    EUROMAT 2013, Sevilla, Spain
  • 10.09.2013
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Mechanical properties and deformation behaviour of TiAl/Ti3Al lamellar microstructures: an atomistic study
    EUROMAT 2013, Sevilla, Spain
  • 26.06.2013
    Alexander Hartmaier, Arshad Tahir, Rebecca Janisch
    Atomistically informed continuum models for fracture invited
    AK Mikrostrukturmechanik, Hochschule Osnabrück, Osnabrück, Germany
  • 18.06.2013
    Alexander Hartmaier, Arshad Tahir, Rebecca Janisch
    Atomistically informed continuum models for fracture
    13th International Conference on Fracture, Beijing, China
  • 06.05.2013
    Rebecca Janisch
    Modelling and understanding the strength of grain boundaries based on ab-initio results
    ICAMS² 2013, International Colloquium on Advanced Materials Simulation, Bochum, Germany
  • 13.03.2013
    Sankari Sampath, Rebecca Janisch, Alexander Hartmaier
    Ab-initio prediction of the critical thickness of a coherent precipitate
    DPG Spring Meeting 2013, Regensburg, Germany
  • 13.03.2013
    Arshad Tahir, Venkata Naga Ganisetti, Rebecca Janisch, Alexander Hartmaier
    Computational study of the intergranular fracture strength of transition metals in the presence of impurity atoms
    DPG Spring Meeting 2013, Regensburg, Germany
  • 13.03.2013
    Rebecca Janisch
    Modelling and understanding the strength of grain boundaries based on ab-initio results invited
    DPG Spring Meeting 2013, Regensburg, Germany
  • 11.03.2013
    Mansour Kanani, Rebecca Janisch, Alexander Hartmaier
    Mechanical properties of fully lamellar TiAl alloys obtained from a DFT study
    DPG Spring Meeting 2013, Regensburg, Germany
  • 08.11.2012
    Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
    The role of coherency strain in the evolution of a metastable precipitate in a molybdenum-carbon binary system
    Materials Day 2012, Ruhr-University Bochum, Germany
  • 19.10.2012
    Arshad Tahir, Rebecca Janisch, Alexander Hartmaier
    Multiscale modelling of the influence of C on the intergranular-fracture strength of bcc Mo, W and Fe
    MMM 2012 - 6th International Conference on Multiscale Materials Modeling, Biopolis, Singapore
  • 18.10.2012
    Rebecca Janisch, Naveed Ahmed, Xueyong Pang, Alexander Hartmaier
    Efficient ab-initio characterisation of the mechanical behavior of grain boundaries
    MMM 2012 - 6th International Conference on Multiscale Materials Modeling, Biopolis, Singapore
  • 17.10.2012
    Rebecca Janisch, Sankari Sampath, Alexander Hartmaier
    The role of coherency strain in the evolution of a metastable precipitate in the molybdenum-carbon binary system
    MMM 2012, 6th international conference on multiscale materials modeling, Biopolis, Singapore
  • 24.08.2012
    Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
    Role of coherency strain in the stabilization of a metastable precipitate of the Mo-C binary system
    ICSMA 16, Bangalore, India
  • 29.03.2012
    Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
    Role of coherency strain in the stabilization of a metastable precipitate of the Mo-C binary system
    DPG spring meeting, Berlin, Germany
  • 26.03.2012
    Arshad Tahir, Rebecca Janisch, Alexander Hartmaier
    C at Σ5 symmetrical tilt grain boundary in Mo - from ab-initio results to traction-separation law
    DPG Spring Meeting 2012, Berlin, Germany
  • 26.03.2012
    Xueyong Pang, Rebecca Janisch, Alexander Hartmaier
    Ab-initio study of the mechanical shear behavior of Al with and without normal stress
    DPG Spring Meeting 2012, Berlin, Germany
  • 26.01.2012
    Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
    The role of coherency strain on the structural stability of a metastable precipitate in Mo-C binary system
    1st Austrain German workshop on computational materials design, Kramsach, Austria
  • 26.01.2012
    Arshad Tahir, Rebecca Janisch, Alexander Hartmaier
    Influence of C on the mechanical properties of a Σ5 STGB in Mo: ab-initio study
    1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria
  • 12.09.2011
    Arshad Tahir, Rebecca Janisch, Alexander Hartmaier
    Ab-initio investigation of the influence of carbon on the mechanical properties of the sigma-5 symmetrical tilt grain boundary in molybdenum
    EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France
  • 12.09.2011
    Sankari Sampath, Rebecca Janisch, Suzana Fries, Alexander Hartmaier
    The role of interface energy in the evolution of a metastable phase in the molybdenum-carbon binary system
    EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France
  • 12.09.2011
    Xueyong Pang, Rebecca Janisch, Naveed Ahmed, Alexander Hartmaier
    Ab-initio study of the shear properties of aluminium with different methods
    EUROMAT 2011 - European Congress on Advanced Materials and Processes, Montpellier, France
  • 10.07.2011
    Xueyong Pang, Naveed Ahmed, Rebecca Janisch, Alexander Hartmaier
    Ab-initio study of the γ-surfaces of aluminium bulk and grain boundaries
    ψ-k/CECAM/ccp9 graduate school, Oxford, UK
  • 02.05.2011
    Arthur Bialon, Elisaveta Hristova, Sankari Sampath, Arshad Tahir, et al.
    Alloying with light elements
    Materials Design in Chemical Compound Space Workshop, IPAM, Institute for Pure and Applied Mathematics, UCLA, Los Angeles, USA
  • 10.03.2011
    Thomas Hammerschmidt, Rebecca Janisch
    Light elements and deformation mechanisms
    ICAMS Advanced Discussions, Bochum, Germany
  • 22.11.2010
    Rebecca Janisch
    An atomistic view on interfaces in materials invited
    8th Materials Day, Ruhr-University Bochum, Germany
  • 24.10.2010
    Elisaveta Hristova, Rebecca Janisch, Ralf Drautz, Alexander Hartmaier
    The solubility of carbon in bcc iron under volumetric strain: comparison of DFT and empirical methods
    468. Wilhelm und Else Heraeus-Seminar "Ab initio Description of Iron and Steel: Mechanical properties", Ringberg Castle, Tegernsee, Germany
  • 24.10.2010
    Rebecca Janisch, Sankari Sampath, Andreas Böhner, Christian Elsässer, Alexander Hartmaier
    Influence of light elements on the mechanical properties of interfaces in transition metals
    468. Wilhelm und Else Heraeus-Seminar "Ab initio Description of Iron and Steel: Mechanical properties", Ringberg Castle, Tegernsee, Germany
  • 25.10.2010
    Alexander Hartmaier, Rebecca Janisch
    Scale-bridging modelling of mechanical properties of interfaces invited
    468. Wilhelm und Else Heraeus-Seminar "Ab initio Description of Iron and Steel: Mechanical properties", Ringberg Castle, Tegernsee, Germany
  • 07.10.2010
    Elisaveta Hristova, Rebecca Janisch, Ralf Drautz, Alexander Hartmaier
    The solubility of carbon in bcc iron under volumetric strain: comparison of DFT and empirical methods
    Fifth International Conference on Multiscale Materials Modeling (MMM2010), Freiburg, Germany
  • 22.03.2010
    Rebecca Janisch, Naveed Ahmed, Alexander Hartmaier
    Ab-initio characterisation of the mechanical behavior of grain boundaries
    DPG Spring Meeting 2010, Regensburg, Germany
  • 10.12.2009
    Rebecca Janisch
    Mechanical properties of interfaces – insights from atomistic simulations invited
    Max-Planck Institute for Iron Research, Düsseldorf
  • 30.11.2009
    Alexander Hartmaier, Rebecca Janisch, Naveed Ahmed, Xiaohui Zeng
    Deformation of ultra-fine-grained and nanocrystalline metals: role of dislocation-grain boundary interaction invited
    Fall Meeting of the Materials Research Society (MRS), Boston (MA), USA
  • 23.09.2009
    Marina Prechtel, Rebecca Janisch, Günter Leugering, Alexander Hartmaier, Paul Steinmann
    Cohesive element model for simulation of crack growth in composite materials
    International Conference on Crack Paths, Vincenza, Italy
  • 07.09.2009
    Rebecca Janisch, Naveed Ahmed, Alexander Hartmaier
    Cohesive laws for grain boundaries from ab initio calculations
    Euromat 2009, Glasgow, UK
  • 10.09.2009
    Naveed Ahmed, Rebecca Janisch, Alexander Hartmaier
    Ab-initio investigation of the mechanical properties of grain boundaries in aluminum
    Euromat 2009, Glasgow, UK
  • 23.03.2009
    Rebecca Janisch, Naveed Ahmed, Alexander Hartmaier
    Elastic and plastic properties of special grain boundaries in aluminium
    DPG Spring Meeting 2009, Dresden, Germany
  • 10.11.2008
    Rebecca Janisch
    Elastic and Plastic Properties of Special Grain Boundaries
    ICAMS, Room 1102
  • 04.09.2008
    Andreas Böhner, Rebecca Janisch, Alexander Hartmaier, Karsten Kellermann, et al.
    CVD-diamond coatings on heat-treatable steels – experimental and computational Investigation of the adhesive layer system Cr/CrxCy/diamond invited
    Materials Science and Engineering 2008, Nürnberg, Germany
  • 01.09.2008
    , Rebecca Janisch, Alexander Hartmaier
    Ab initio study of the ternary layered system Ti-Al-C invited
    Materials Science and Engineering 2008, Nürnberg
  • 30.06.2008
    Alexander Hartmaier, Rebecca Janisch,
    Interfacial strength: ab-initio calculation of cohesive zone parameters invited
    8th World Congress on Computational Mechanics WCCM8, Venice, Italy
Short CV

Professional Experience

since 2008
Research group leader at ICAMS

2006-2008
Research group leader, Department of Materials Science, Friedrich-Alexander University, Erlangen-Nürnberg, Germany

2005-2006
Postdoc, Institute of opto and solid state electronics, Technical University Chemnitz, Germany

2003-2005
Postdoc, Materials Department, University of California Santa Barbara, California, USA

Education

PhD, Physics, MPIE Max Planck Institut für Eisenforschung GmbH

Dipl.-Phys., Physics, Universität Stuttgart

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