Logo RUB
  • Institute
    • ICAMS
      • Mission
      • Structure
      • Members
      • Fellows
    • Departments & Research Groups
      • Atomistic Modelling and Simulation
      • Scale-Bridging Thermodynamic and Kinetic Simulation
      • Micromechanical and Macroscopic Modelling
      • Artificial Intelligence for Integrated Material Science
      • Computational Design of Functional Interfaces
      • Scale-Bridging Simulation of Functional Composites
      • Materials Informatics and Data Science
      • High-Performance Computing in Materials Science
    • Central Services
      • Coordination Office
      • IT
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
 
ICAMS
ICAMS
MENÜ
  • RUB-STARTSEITE
  • Institute
    • ICAMS
    • Departments & Research Groups
    • Central Services
  • Research
    • Overview
    • Publications
    • Software and Data
    • Collaborative research
    • Research networks
    • Young enterprises
  • Teaching
    • Overview
    • Materialwissenschaft B.Sc.
    • Materials Science and Simulation M.Sc.
    • ICAMS Graduate School
    • Student Projects
  • News & Events
    • Overview
    • News
    • Seminars and Workshops
    • Conferences
  • Services
    • Overview
    • Contact
    • Open positions
    • Travel information
Home » Institute » Departments & Research Groups » Micromechanical and Macroscopic Modelling » Mechanical Properties of Interfaces » MPOI Publications

Just another WordPress site - Ruhr-Universität Bochum

All
  • 2025
  • 2024
  • 2023
  • 2022
  • 2021
  • 2020
  • 2019
  • 2018
  • 2017
  • 2016
  • 2015
  • 2014
  • 2013
  • 2012
  • 2011
  • 2010
  • 2009
  • 2008
  • 2024

  • 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. Chauniyal, P. Thome, M. Stricker. Employing constrained nonnegative matrix factorization for microstructure segmentation. Microscopy and Microanalysis, 30, 712–723, (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 et al. 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)
  • 2023

  • T. Schmalofski, M. Kroll, H. Dette et al. 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)
  • 2022

  • O. Sen. Atomistic simulations of crack-tip interface interactions in TiAl microstructures. Master Thesis, Ruhr-Universität Bochum, (2022)
  • M. Kroll, T. Schmalofski, H. Dette et al. 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. Azócar Guzmán. Ab initio study of co-segregation effects of H and C at grain boundaries in ferritic steels. PhD Thesis, Ruhr-Universität Bochum, (2022)
  • 2021

  • 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, H. Askari, N. Abdolrahim. Elastic and plastic deformation behavior of helium nano-bubbled single crystal copper: an atomistic simulation study. Journal of Nuclear Materials, 552, 152988, (2021)
  • A. Chauniyal. Deformation behavior of lamellar TiAl alloys – an atomistic study. PhD Thesis, Ruhr-Universität Bochum, (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 et al. Influence of temperature on void collapse in single crystal nickel under hydrostatic compression. Materials, 14, 2369, (2021)
  • J. Jeon. Crystal structure and mechanical properties of Cr-rich hard phases of type M7C3 in Fe-based alloys - simulation and experimental validation. Master Thesis, Ruhr-Universität Bochum, (2021)
  • J. Wu, Z. Wu, L. Liu 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)
  • 2020

  • A. Azócar Guzmán, J. Jeon, A. Hartmaier et al. 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 et al. 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 et al. Amorphization-governed elasto-plastic deformation under nanoindentation in cubic (3C) silicon carbide. Ceramics International, 46, 12470–12479, (2020)
  • 2019

  • 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 et al. Ab initio study of the combined effects of alloying elements and H on grain boundary cohesion in ferritic steels. Metals, 9, 291, (2019)
  • 2018

  • J. Möller, E. Bitzek, R. Janisch et al. Fracture ab initio: A force-based scaling law for atomistically informed continuum models. Journal of Materials Research, 33, 3750 - 3761, (2018)
  • 2017

  • 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 et al. Efficient sampling in materials simulation - Exploring the parameter space of grain boundaries. Acta Materialia, 125, 145-155, (2017)
  • 2016

  • J. Wang, R. Janisch, G. Madsen et al. First-principles study of carbon segregation in bcc iron symmetrical tilt grain boundaries. Acta Materialia, 115, 259-268, (2016)
  • P. Veluvali. Influence of interstitial defects on the structural and mechanical properties of lamellar TiAl alloys. Master Thesis, Ruhr-Universität Bochum, (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 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)
  • 2015

  • M. Kanani. Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys. PhD Thesis, Ruhr-Universität Bochum, (2015)
  • M. Golam. Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates. Master Thesis, Ruhr-Universität Bochum, (2015)
  • 2014

  • 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. Development and validation of a scale-bridging method for simulation of intergranular fracture in body-centered cubic metals. PhD Thesis, Ruhr-Universität Bochum, (2014)
  • 2013

  • 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)
  • V. Ganisetti. Multiscale modelling of the effect of oxygen on structure and cohesion of a symetric tilt grain boundary in molybdenum. Master Thesis, Ruhr-Universität Bochum, (2013)
  • S. Sampath. Prediction of the critical thickness of a metastable precipate MoCx in bcc Mo - an ab-initio study. PhD Thesis, Ruhr-Universität Bochum, Bochum, (2013)
  • 2012

  • X. Pang, N. Ahmed, R. Janisch et al. The mechanical shear behavior of Al single crystals and grain boundaries. Journal of Applied Physics, 112, 023503, (2012)
  • 2011

  • X. Pang, Z.Q. Liu, S.Q. Wang et al. Effects of Bi segregation on the tensile properties of Cu/Cu3Sn(100) interface. Microelectronics Reliability, 51, 2330-5, (2011)
  • N. Ahmed, A. Hartmaier. Mechanisms of grain boundary softening and strain-rate sensitivity in deformation of ultrafine-grained metals at high temperatures. Acta Materialia, 59, 4323-4334, (2011)
  • M. Prechtel, P. Leiva-Ronda, R. Janisch 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 et al. 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)
  • X. Pang, Z.Q. Liu, S.Q. Wang et al. First-principles calculations of doped elements on electromigration of Bi. The Chinese Journal of Nonferrous Metals, 21, 875, (2011)
  • 2010

  • N. Ahmed, A. Hartmaier. A two-dimensional dislocation dynamics model of the plastic deformation of polycrystalline metals. Journal of the Mechanics and Physics of Solids, 58, 2054-2064, (2010)
  • 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)
  • N. Ahmed. Multiscale modeling of deformation of polycrystalline metals. Ph.D. Thesis, Ruhr-Universität Bochum, (2010)
  • 2009

  • 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)
Logo RUB
  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Ruhr-Universität Bochum
Universitätsstraße 150
44801 Bochum

  • Open positions
  • Travel information
  • Imprint
  • Privacy Policy
  • Sitemap
Seitenanfang Kontrast N