Micromechanical and Macroscopic Modelling (MMM)
See also for this department: Members Publications
S. Benito, G. Engels, A. Hartmaier, et al. Statistical characterization of segregation-driven inhomogeneities in metallic microstructures employing fast first-order variograms Materials Today Communications 34 105016 (2023) abstract
L. Zhao, Y. Fu, J. Zhang, et al. Thermal softening-suppressed inter-granular embrittlement of polycrystalline 3C-SiC under diamond cutting Materials & Design 223 111250 (2022) abstract
L. Zhao, J. Zhang, A. Hartmaier, et al. Formation of high density stacking faults in polycrystalline 3C-SiC by vibration-assisted diamond cutting Journal of the European Ceramic Society 42 5448-5457 (2022) abstract
A. Nammalvar Raja Rajan, M. Krochmal, T. Wegener, et al. Micromechanical modeling of AlSi10Mg processed by laser-based additive manufacturing: from as-built to heat-treated microstructures Materials 15 5562 (2022) abstract
M. Kroll, T. K. Schmalofski, H. Dette, et al. Efficient prediction of grain boundary energies from atomistic simulations via sequential design Advanced Theory and Simulations 5 2100615 (2022) abstract
J. Schmidt, A. Biswas, N. Vajragupta, et al. Data-oriented description of texture-dependent anisotropic material behavior Modelling and Simulation in Materials Science and Engineering 30 065001 (2022) abstract
M. Ramaswamy Guru Prasad, A. Biswas, N. Vajragupta, et al. Identification of texture characteristics for improved creep behavior of a L-PBF fabricated IN738 alloy through micromechanical simulations Modeling and Simulation in Materials Science and Engineering 30 055007 (2022) abstract
R. Shoghi, A. Hartmaier, Optimal data-generation strategy for machine learning yield functions in anisotropic plasticity Frontiers in Materials 9 879614154 (2022) abstract
A. Neogi, R. Janisch, Unravelling the lamellar size-dependent fracture behavior of fully lamellar intermetallic γ -TiAl Acta Materialia 227 117698 (2022) abstract
A. Biswas, S. Kalidindi, A. Hartmaier, A hybrid approach for the efficient computation of polycrystalline yield loci with the accuracy of the crystal plasticity finite element method Modelling and Simulation in Materials Science and Engineering 30 025015 (2022) abstract
S. Li, N. Vajragupta, A. Biswas, et al. Effect of microstructure heterogeneity on the mechanical properties of friction stir welded reduced activation ferritic/martensitic steel Scripta Materialia 207 114306 (2022) abstract
H. Li, X. Wang, J. Zhang, et al. Experimental investigation of laser surface texturing and related biocompatibility of pure titanium The International Journal of Advanced Manufacturing Technology 119 5993–6005 (2022) abstract
M. Shahmardani Firouzjah, N. Vajragupta, A. Hartmaier, Influence of crystal plasticity parameters on the strain hardening behavior of polycrystals Crystals 11 1473 (2021) abstract
M. Alam, L. Zhao, N. Vajragupta, et al. Finite element modeling of brittle and ductile modes in cutting of 3C-SiC Crystals 11 1286 (2021) abstract
M. Shahmardani Firouzjah, A. Hartmaier, Constitutive modeling of cyclic plasticity at elevated temperatures for a nickel-based superalloy International Journal of Fatigue 151 106353 (2021) abstract
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) abstract
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) abstract
A. Neogi, R. Janisch, Twin-boundary assisted crack tip plasticity and toughening in lamellar γ -TiAl Acta Materialia 213 116924 (2021) abstract
J. Schmidt, Prediction of Yld2004-18p anisotropic coefficients using ML methods Master Thesis Ruhr-Universität Bochum abstract
S. Li, X. Yang, N. Vajragupta, et al. The influence of post-weld tempering temperatures on microstructure and strength in the stir zone of friction stir welded reduced activation ferritic/martensitic steel Materials Science and Engineering: A 814 141224 (2021) abstract
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) abstract
D. Tian, Z. Xu, L. Liu, et al. In situ investigation of nanometric cutting of 3C-SiC using scanning electron microscope The International Journal of Advanced Manufacturing Technology 115 2299–2312 (2021) abstract
J. Wu, W. Liu, N. Vajragupta, et al. A numerical investigation on the effects of porosity on the plastic anisotropy of additive manufactured stainless steel with various crystallographic textures ESAFORM 2021 (2021) abstract
S. Lu, J. Zhang, Z. Li, et al. Cutting path-dependent machinability of SiCp/Al composite under multi-step ultra-precision diamond cutting Chinese Journal of Aeronautics 34 241-252 (2021) abstract
L. Zhao, J. Zhang, A. Hartmaier, Atomistic investigation of machinability of monocrystalline 3C–SiC in elliptical vibration-assisted diamond cutting Ceramics International 47 2358-2366 (2021) abstract
L. Zhao, J. Zhang, J. Pfetzing, et al. Depth-sensing ductile and brittle deformation in 3C-SiC under Berkovich nanoindentation Materials & Design 197 109223 (2021) abstract
S. Iseni, M. Ramaswamy Guru Prasad, A. Hartmaier, et al. Micro-, macromechanical and aeroelastic investigation of glass-fiber based, lightweight turbomachinery components Asme Turbo Expo 2020: Power for land, sea and air 10A Structures and Dynamics (2021) abstract
J. Wu, Z. Xu, 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 9 2258–2275 (2021) abstract
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) abstract
Z. Wang, J. Zhang, A. Ma, et al. On the crystallographic anisotropy of plastic zone size in single crystalline copper under Berkovich nanoindentation Materials Today Communications 25 101314 (2020) abstract
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) abstract
M. Ramaswamy Guru Prasad, S. Gao, N. Vajragupta, et al. Influence of trapped gas on pore healing under hot isostatic pressing in nickel-base superalloys Crystals 10 1147 (2020) abstract
Z. Wang, J. Zhang, A. Ma, et al. On the crystallographic anisotropy of plastic zone size in single crystalline copper under Berkovich nanoindentation Materials Today Communications 25 101314 (2020) abstract
P. Ståhle, M. Shahmardani Firouzjah, S. Kao-Walter, On buckling and fracture of thin elastic-plastic foils Procedia Structural Integrity 28 2065-2071 (2020) abstract
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) abstract
C. Bonnekoh, J. Reiser, A. Hartmaier, et al. The brittle-to-ductile transition in cold-rolled tungsten sheets: the rate-limiting mechanism of plasticity controlling the BDT in ultrafine-grained tungsten Journal of Materials Science 55 12314–12337 (2020) abstract
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) abstract
M. A. Ali, I. Lopez-Galilea, W. Amin, et al. Effect of γ′ precipitate size on hardness and creep properties of Ni-base single crystal superalloys: experiment and simulation Materialia 12 100692 (2020) abstract
M. Ramaswamy Guru Prasad, A. Biswas, W. Amin, et al. Influence of pore characteristics on anisotropic mechanical behavior of L‐PBF manufactured metal by micromechanical modeling Advanced Engineering Materials 2000641 (2020) abstract
H. M. Sajjad, H. u. Hassan, M. Kuntz, et al. Inverse method to determine fatigue properties of materials by combining cyclic indentation and numerical simulation Materials, Special Issue Recent Advances in Mechanisms of Fracture and Fatigue 13 3126 (2020) abstract
Z. Wang, J. Zhang, G. Li, et al. Anisotropy‑related machining characteristics in ultra‑precision diamond cutting of crystalline copper Nanomanufacturing and Metrology 3 123–132 (2020) abstract
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) abstract
Z. Wang, J. Zhang, Z. Xu, et al. Crystal anisotropy-dependent shear angle variation in orthogonal cutting of single crystalline copper Precision Engineering 63 41-48 (2020) abstract
A. Biswas, M. Ramaswamy Guru Prasad, N. Vajragupta, et al. Effect of grain statistics on micromechanical modeling: the example of additively manufactured materials examined by electron backscatter diffraction Advanced Engineering Materials 22 1901416 (2020) abstract
M. A. Ali, W. Amin, O. Shchyglo, et al. 45-degree rafting in Ni-based superalloys: a combined phase-field and strain gradient crystal plasticity study International Journal of Plasticity 128 102659 (2020) abstract
A. Hartmaier, Data-oriented constitutive modeling of plasticity in metals Materials 13 1600 (2020) abstract
N. Vajragupta, S. Maassen, T. Clausmeyer, et al. Micromechanical modeling of DP600 steel: from microstructure to the sheet metal forming process Procedia Manufacturing 47 1540-1547 (2020) abstract
S. Gao, M. A. Ali, A. Hartmaier, Influence of rafted microstructures on creep in Ni-base single crystal superalloys: a 3D discrete dislocation dynamics study Modelling and Simulation in Materials Science and Engineering 28 025001 (2020) abstract
Z. Wang, J. Zhang, G. Li, et al. Towards an understanding of grain boundary step in diamond cutting of polycrystalline copper Journal of Materials Processing Technology 276 116400 (2020) abstract
M. Shahmardani Firouzjah, N. Vajragupta, A. Hartmaier, Robust optimization scheme for inverse method for crystal plasticity model parametrization Materials 13 735 (2020) abstract
A. Biswas, N. Vajragupta, R. Hielscher, et al. Optimized reconstruction of the crystallographic orientation density function based on a reduced set of orientations Journal of Applied Crystallography 53 178-187 (2020) abstract
J. Reiser, A. Hartmaier, Elucidating the dual role of grain boundaries as dislocation sources and obstacles and its impact on toughness and brittle-to-ductile transition Scientific Reports 10 2739 (2020) abstract
Z. Xu, F. Fang, L. Liu, et al. Nanocutting mechanism of 6H-SiC investigated by scanning electron microscope online observation and stress-assisted and ion implant-assisted approaches The International Journal of Advanced Manufacturing Technology 106 3869–3880 (2020) abstract
A. Biswas, M. Ramaswamy Guru Prasad, N. Vajragupta, et al. Kanapy: synthetic polycrystalline microstructure generator with geometry and texture Zenodo Repository (2020) abstract
Z. Wang, T. Sun, H. Zhang, et al. The interaction between grain boundary and tool geometry in nanocutting of a bi-crystal copper International Journal of Extreme Manufacturing 1 045001 (2019) abstract
D. Matschkal-Amberger, M. Kolb, S. Neumeier, et al. New flat-punch indentation creep testing approach for characterizing the local creep properties at high temperatures Materials & Design 183 108090 (2019) abstract
J. K. Engels, An inverse analysis approach for parameterization of non-local crystal plasticity modeling using sphero-conical nanoindentation PhD Thesis Ruhr-Universität Bochum abstract
M. Ramaswamy Guru Prasad, N. Vajragupta, A. Hartmaier, Kanapy: a Python package for generating complex synthetic polycrystalline microstructures Journal of Open Source Software 4 1732 (2019) abstract
B. J. Schaefer, P. Sonnweber-Ribic, H. u. Hassan, et al. Micromechanical modeling of fatigue crack nucleation around non-metallic inclusions in martensitic high-strength steels Metals 9 1258 (2019) abstract
M. Boeff, H. u. Hassan, A. Hartmaier, On the numerical modeling of nucleation and growth of microstructurally short cracks in polycrystals under cyclic loading Journal of Materials Research 34 3523-3534 (2019) abstract
J. K. Engels, N. Vajragupta, A. Hartmaier, Parameterization of a non-local crystal plasticity model for tempered lath martensite using nanoindentation and inverse method Frontiers in Materials 6 247 (2019) abstract
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) abstract
B. J. Schaefer, P. Sonnweber-Ribic, A. Hartmaier, Micromechanical modelling of the influence of strain ratio on fatigue crack initiation in a martensitic steel Materials 12 2852 (2019) abstract
W. Amin, M. A. Ali, N. Vajragupta, et al. Studying grain boundary strengthening by dislocation-based strain gradient crystal plasticity coupled with a multi-phase-field model Materials 12 2977 (2019) abstract
O. Shchyglo, G. Du, J. K. Engels, et al. Phase-field simulation of martensite microstructure in low-carbon steel Acta Materialia 175 415-425 (2019) abstract
D. Reimann, K. C. Nidadavolu, H. u. Hassan, et al. Modeling macroscopic material behavior with machine learning algorithms trained by micromechanical simulations Frontiers in Materials 6 181 (2019) abstract
C. Wang, M. A. Ali, S. Gao, et al. Combined phase-field crystal plasticity simulation of P- and N-type rafting in Co-based superalloys Acta Materialia 175 21-34 (2019) abstract
L. Liu, Z. Xu, D. Tian, et al. MD simulation of stress-assisted nanometric cutting mechanism of 3C silicon carbide Industrial Lubrication and Tribology 71 686-691 (2019) abstract
Z. Wang, H. Zhang, Z. Li, et al. Crystal plasticity finite element simulation and experiment investigation of nanoscratching of single crystalline copper Wear 430-431 100-107 (2019) abstract
A. Biswas, M. R. G. Prasad, N. Vajragupta, et al. Influence of microstructural features on the strain hardening behavior of additively manufactured metallic components Advanced Engineering Materials 21 1900275 (2019) abstract
S. Gao, Z. Yang, M. Grabowski, et al. Influence of excess volumes induced by Re and W on dislocation motion and creep in Ni-base single crystal superalloys: a 3D discrete dislocation dynamics study Metals 9 637 (2019) abstract
H. M. Sajjad, S. Hanke, Sedat Güler , et al. Modelling cyclic behaviour of martensitic steel with J2 plasticity and crystal plasticity Journal of Materials MDPI 12 1767 (2019) abstract
B. J. Schaefer, X. Song, P. Sonnweber-Ribic, et al. Micromechanical modelling of the cyclic deformation behavior of martensitic SAE 4150—a comparison of different kinematic hardening models Metals 9 368 (2019) abstract
A. P. 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) abstract
B. J. Schäfer, X. Song, P. Sonnweber-Ribic, et al. Micromechanical modelling of the cyclic deformation behavior of martensitic SAE 4150—a comparison of different kinematic hardening models Metals 9 368 (2019) abstract
Z. Wang, J. Zhang, Z. Xu, et al. Crystal plasticity finite element modeling and simulation of diamond cutting of polycrystalline copper Journal of Manufacturing Processes 38 187-195 (2019) abstract
C. Bonnekoh, U. Jäntsch, J. Hoffmann, et al. The brittle-to-ductile transition in cold rolled tungsten plates: impact of crystallographic texture, grain size and dislocation density on the transition temperature International Journal of Refractory Metals and Hard Materials 78 146-163 (2019) abstract
S. Gupta, A. Ma, A. Hartmaier, Mechanical twinning induced alteration in the kinetics of martensitic phase transformation in TRIP-maraging steels International Journal of Solids and Structures 155 213-224 (2018) abstract
T. Schaffner, A. Hartmaier, M. Pohl, Prediction of the hydrogen-induced damage to ultra-high strength steel concepts Materials Science Forum 941 124-129 (2018) abstract
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) abstract
W. Amin, J. A. Qayyum, K. Altaf, et al. Metal injection molding process parameters as a function of filling performance of 3D printed polymer mold MATEC Web of Conferences 225 6 (2018) abstract
H. u. Hassan, K. Govind, A. Hartmaier, Micromechanical modelling of coupled crystal plasticity and hydrogen diffusion Philosophical Magazine 99 92-115 (2018) abstract
J. K. Engels, S. Gao, W. Amin, et al. Indentation size effects in spherical nanoindentation analyzed by experiment and non-local crystal plasticity Materialia 3 21-30 (2018) abstract
Z. Wang, J. Zhang, H. u. Hassan, et al. Coupled effect of crystallographic orientation and indenter geometry on nanoindentation of single crystalline copper International Journal of Mechanical Sciences 148 531–539 (2018) abstract
Z. Xu, Z. He, Y. Song, et al. Topic Review: Application of Raman spectroscopy characterization in micro/nano-machining Micromechanics 2018 361 (2018) abstract
G. Eggeler, P. Wollgramm, K. Neuking, et al. On shear testing of single crystal Ni-base superalloys Metallurgical and Materials Transactions A 49 3951-3962 (2018) abstract
S. Gao, P. Wollgramm, G. Eggeler, et al. A phenomenological creep model for nickelbase single crystal superalloys at intermediate temperatures Modelling and Simulation in Materials Science and Engineering 26 055001 (2018) abstract
X. Fu, Z. Xu, Z. He, et al. Molecular dynamics simulation of silicon ion implantation into diamond and subsequent annealing Nuclear Instruments and Methods in Physics Research B (2018) abstract
T. Schaffner, A. Hartmaier, V. Kokotin, et al. Analysis of hydrogen diffusion and trapping in ultra-high strength steel grades Journal of Alloys and Compounds 746 557-566 (2018) abstract
Z. Zhang, J. Cui, B. Wang, et al. In situ TEM observation of rebonding on fractured silicon carbide Nanoscale 10 6261-6269 (2018) abstract
T. Pradhan, Comparison of various interatomic potentials for point-defect migration in transition metals Master Thesis Ruhr-Universität Bochum abstract
A. Izardar, Investigation of self-diffusion in Mo using classical molecular dynamics simulations Master Thesis Ruhr-Universität Bochum abstract
S. Gao, U. Gogilan, A. Ma, et al. Numerically efficient microstructure-based calculation of internal stresses in superalloys Modelling and Simulation in Materials Science and Engineering 26 025001 (2017) abstract
M. Ipekoglu, O. Erbas, H. u. Hassan, Comparison of deep drawability of AA5754-H22 and AA6061-T6 aluminum alloys for automotive applications Materials Testing, Materialprüfung 59 1003-1008 (2017) abstract
N. Vajragupta, H. u. Hassan, A. Hartmaier, Towards prediction of springback in deep drawing using a micromechanical modeling scheme Procedia Engineering 207 60-65 (2017) abstract
M. Boeff, H. u. Hassan, A. Hartmaier, Micromechanical modeling of fatigue crack initiation in polycrystals Journal of Materials Research 32 4375-4386 (2017) abstract
N. Vajragupta, S. Ahmed, M. Boeff, et al. Micromechanical modeling approach to derive the yield surface for BCC and FCC steels using statistically informed microstructure models and nonlocal crystal plasticity Physical Mesomechanics 20 100-108 (2017) abstract
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) abstract
M. Kulosa, M. Neumann, M. Boeff, et al. A study on microstructural parameters for the characterization of granular porous ceramics using a combination of stochastic and mechanical modeling International Journal of Applied Mechanics 09 1750069 (2017) abstract
B. Wu, N. Vajragupta, J. Lian, et al. Prediction of plasticity and damage initiation behaviour of C45E + N steel by micromechanical modelling Materials & Design 121 154-166 (2017) abstract
A. Hartmaier, Vom Atom zum Bauteil und zurück Physik in unserer Zeit 48 190-197 (2017) abstract
S. Gao, M. Fivel, A. Ma, et al. 3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model Journal of the Mechanics and Physics of Solids 102 209-223 (2017) abstract
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) abstract
D. Guedes, S. Barrez, F. Thébault, et al. Modeling and experimental insights of sulfide stress cracking corrosion mechanism NACE International Corrosion 2017 Conference Proceedings 9328 (2017) abstract
H. u. Hassan, F. Maqbool, A. Güner, et al. Springback prediction and reduction in deep drawing under influence of unloading modulus degradation International Journal of Material Forming 9 619–633 (2016) abstract
A. Ma, A. Hartmaier, A crystal plasticity smooth-particle hydrodynamics approach and its application to equalchannel angular pressing simulation Modelling and Simulation in Materials Science and Engineering 24 085011 (2016) abstract
M. Kulosa, Modellierung der elastischen und thermischen Eigenschaften sowie des Schädigungsverhaltens poröser partikelbasierter Keramiken PhD Thesis Ruhr-Universität Bochum abstract
E. Borukhovich, M. Boeff, A. Monas, et al. Full-field simulation of solidification and forming of polycrystals MATEC Web of Conferences 80 02014 (2016) abstract
R. Scholz, R.-M. Mittendorf, J. K. Engels, et al. Direction-dependent mechanical characterization of cellulose-based composite vulcanized fiber Materials Testing 58 813-817 (2016) abstract
R. Hameed, Micromechanical modeling of strength of tempered martensitic steels based on crystal plasticity PhD Thesis Ruhr-Universität Bochum abstract
R. Sivanesapillai, N. Falkner, A. Hartmaier, et al. A CSF-SPH method for simulating drainage and imbibition at pore-scale resolution while tracking interfacial areas Advances in Water Resources 1 212-234 (2016) abstract
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) abstract
M. R. Hassani, P. S. Engels, D. Raabe, et al. Localized plastic deformation in a model metallic glass: A survey of free volume and local force distributions Journal of Statistical Mechanics: Theory and Experiment 2016 084006 (2016) abstract
E. Borukhovich, G. Du, M. Stratmann, et al. Microstructure design of tempered martensite by atomistically informed full-field simulation: From quenching to fracture Materials 9 673 (2016) abstract
R. Sivanesapillai, Pore-scale study of non-Darcian fluid flow in porous media using smoothed-particle hydrodynamics PhD Thesis Ruhr-Universität Bochum abstract
M. Boeff, Micromechanical modelling of fatigue crack initiation and growth PhD Thesis Ruhr-Universität Bochum abstract
B. Reinholz, S. Brinckmann, A. Hartmaier, et al. Influence of the twin microstructure on the mechanical properties in magnetic shape memory alloys Acta Materialia 108 197-206 (2016) abstract
Y. Di, J. Lian, B. Wu, et al. The second blind Sandia Fracture Challenge: Improved MBW model predictions for different strain rates International Journal of Fracture 198 149-165 (2016) abstract
P. L. Veluvali, Influence of interstitial defects on the structural and mechanical properties of lamellar TiAl alloys Master Thesis Ruhr-Universität Bochum abstract
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) abstract
B. L. Boyce, S. L. B. Kramer, T. R. Bosiljevac, et al. The second Sandia Fracture Challenge: Predictions of ductile failure under quasi-static and moderate-rate dynamic loading International Journal of Fracture 198 5-100 (2016) abstract
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) abstract
P. S. Engels, A multi-phase-field simulation approach incorprating finite, elasto-plastic deformations PhD Thesis ICAMS, Ruhr-Universität Bochum abstract
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) abstract
S. Gao, 3D discrete dislocation dynamics study on fundamental creep mechanisms in single crystal superalloys PhD Thesis ICAMS, Ruhr-Universität Bochum abstract
T. Wang, C. Begau, G. Sutmann, et al. Large scale molecular dynamics simulation of microstructure formation during thermal spraying of pure copper Surface and Coatings Technology 280 72-80 (2015) abstract
M. Boeff, F. Gutknecht, P. S. Engels, et al. Formulation of nonlocal damage models based on spectral methods for application to complex microstructures Engineering Fracture Mechanics 147 373-387 (2015) abstract
E. Borukhovich, P. S. Engels, J. Mosler, et al. Large deformation framework for phase-field simulations at the mesoscale Computational Materials Science 108 367-373 (2015) abstract
M. Kanani, Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys PhD Thesis Ruhr-Universität Bochum abstract
H. Shabbir, Multi scale simulations: Interaction between γ' precipitate and interfacial dislocation in nickel base superalloys Master Thesis Ruhr-Universität Bochum abstract
M. M. Golam, Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates Master Thesis Ruhr-Universität Bochum abstract
S. Gao, M. K. Rajendran, M. Fivel, et al. Primary combination of phase-field and discrete dislocation dynamics methods for investigating athermal plastic deformation in various realistic Ni-base single crystal superalloy microstructures Modelling and Simulation in Materials Science and Engineering 23 075003 (2015) abstract
A. K. R. Kothapalli, RVE based characterization and homogenization of elasto plastic properties for woven thermoplastic composite materials Master Thesis Ruhr-Universität Bochum abstract
A. Kauws, Investigation of mechanical properties of martensite packets using inverse analysis Master Thesis Ruhr-Universität Bochum abstract
J. Zhang, C. Begau, L. Geng, et al. Atomistic investigation of wear mechanisms of a copper bi-crystal Wear 332-333 941-948 (2015) abstract
S. Gupta, A. Ma, A. Hartmaier, Investigating the influence of crystal orientation on bending size effect of single crystal beams Computational Materials Science 101 201-210 (2015) abstract
W. Kochański, M. Boeff, Z. Hashemiyan, et al. Modelling and numerical simulations of in-air reverberation images for fault detection in medical ultrasonic transducers: A feasibility study Journal of Sensors 2015 796439 (2015) abstract
S. Gao, M. Fivel, A. Ma, et al. Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study Journal of the Mechanics and Physics of Solids 76 276-290 (2015) abstract
A. Ma, A. Hartmaier, A study of deformation and phase transformation coupling for TRIP-assisted steels International Journal of Plasticity 64 40-55 (2015) abstract
P. Schwittek, Micromechanical and continuum modeling of hydrogen assisted steel degradation PhD Thesis Ruhr-Universität Bochum abstract
S. Gupta, Micromechanical modeling of martensitic phase transformation in steels based on nonlocal crystal plasticity PhD Thesis Ruhr-Unverstität Bochum abstract
N. Vajragupta, P. Wechsuwanmanee, J. Lian, et al. The modeling scheme to evaluate the influence of microstructure features on microcrack formation of DP-steel: the artificial microstructure model and its application to predict the strain hardening behavior Computational Materials Science 95 198-213 (2014) abstract
M. Kanani, A. Hartmaier, R. Janisch, Interface properties in lamellar TiAl microstructures from density functional theory Intermetallics 54 154-163 (2014) abstract
M. Sharaf, P. Kucharczyk, N. Vajragupta, et al. Modeling the microstructure influence on fatigue life variability in structural steels Computational Materials Science 94 258-272 (2014) abstract
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) abstract
M. Boeff, A. Ma, A. Hartmaier, Plastic deformation modelling of tempered martensite steel block structure by a nonlocal crystal plasticity model Theoretical and Applied Mechanics Letters 4 051007 (2014) abstract
R. Sivanesapillai, H. Steeb, A. Hartmaier, Transition of effective hydraulic properties from low to high Reynolds number flow in porous media Geophysical Research Letters 41 4920-4928 (2014) abstract
A. M. 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) abstract
B. Reinholz, Discrete disclination dynamics: microstructure evolution in Ni-Mn-Ga shape-memory alloys PhD Thesis Ruhr-Universität Bochum, ICAMS, MMM, Bochum, Germany abstract
E. Borukhovich, P. S. Engels, T. Böhlke, et al. Large strain elasto-plasticity for diffuse interface models Modelling and Simulation in Materials Science and Engineering 22 034008 (2014) abstract
T. Katiyar, Phase-field study of mechanically driven grain growth Master Thesis Ruhr-Universität Bochum, ICAMS, MMM, Bochum, Germany abstract
T. Wang, G. Madsen, A. Hartmaier, Atomistic study of the influence of lattice defects on the thermal conductivity of silicon Modelling and Simulation in Materials Science and Engineering 22 035011 (2014) abstract
Y. Zhou, Z. Yang, T. Wang, et al. Crack propagation behaviours at Cu/SiC interface by molecular dynamics simulation Computational Materials Science 82 17-25 (2014) abstract
C. Begau, A. Hartmaier, Microstructural characterization of shape memory alloys on the atomic scale TMS 2014 Supplemental Proceedings 247-256 (2014) abstract
A. M. Tahir, Development and validation of a scale-bridging method for simulation of intergranular fracture in body-centered cubic metals PhD Thesis Ruhr-Universität Bochum abstract
P. S. Engels, C. Begau, S. Gupta, et al. Multiscale modelling of nanoindentation: from atomistic to continuum models Nanomechanical analysis of high performance materials SPRINGER SCIENCE + BUSINESS MEDIA, DORDRECHT 203 285-322 (2014) abstract
A. Ma, A. Hartmaier, On the influence of isotropic and kinematic hardening caused by strain gradients on the deformation behaviour of polycrystals Philosophical Magazine 94 125-140 (2014) abstract
A. M. 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) abstract
J. Zhang, A. Hartmaier, Y. Wei, et al. Mechanisms of anisotropic friction in nanotwinned Cu revealed by atomistic simulations Modelling and Simulation in Materials Science and Engineering 21 16 (2013) abstract
S. Sampath, R. Janisch, Ab initio prediction of the critical thickness of a precipitate Journal of Physics: Condensed Matter 25 355005 (2013) abstract
M. Sharaf, P. Kucharczyk, A. Ma, et al. Assessment of fatigue microcrack initiation and growth capabilities in structural steels: an interdisciplinary experimental and numerical method Proceedings of the 3rd International Conference of Engineering Against Failure (2013) abstract
V. N. S. 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, ICAMS, MMM, Bochum, Germany abstract
S. Sampath, Prediction of the critical thickness of a metastable precipate MoCx in bcc Mo - an ab-initio study PhD Thesis Ruhr-University Bochum abstract
A. Köster, Plastic deformation and phase transformation: constitutive description of transformation induced plasticity steels PhD Thesis Ruhr-University Bochum abstract
J. Pfetzing-Micklich, C. Somsen, A. Dlouhy, et al. On the crystallographic anisotropy of nanoindentation in pseudoelastic NiTi Acta Materialia 61 602-616 (2013) abstract
M. Sharaf, J. Lian, N. Vajragupta, et al. Influence of microstructural features on the propagation of microstructurally short fatigue cracks in structural steels Fatigue of Materials II 243-250 (2013) abstract
P. S. Engels, A. Ma, A. Hartmaier, Continuum simulation of the evolution of dislocation densities during nanoindentation International Journal of Plasticity 38 159-169 (2012) abstract
J. Zhang, T. Sun, Y.D. Yan, et al. Atomistic investigation of scratching-induced deformation twinning in nanocrystalline Cu Journal of Applied Physics 112 073526 (2012) abstract
D. K. Mahajan, A. Hartmaier, Mechanisms of crazing in glassy polymers revealed by molecular dynamics simulations Physical Review E 86 021802 (2012) abstract
C. Begau, Characterization of crystal defects during molecular dynamics simulations of mechanical deformation PhD Thesis Ruhr-Universität Bochum abstract
B. Reinholz, S. Brinckmann, Phase transformations in the proximity of TiC precipitates in a NiTi matrix during fatigue International Journal of Fatigue 41 72-82 (2012) abstract
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) abstract
J. Zhang, T. Sun, A. Hartmaier, et al. Atomistic simulation of the influence of nanomachining-induced deformation on subsequent nanoindentation Computational Materials Science 59 14-21 (2012) abstract
A. Köster, A. Ma, A. Hartmaier, Atomistically informed crystal plasticity model for body-centered cubic iron Acta Materialia 60 3894–3901 (2012) abstract
A. Köster, A. Ma, A. Hartmaier, Atomistically informed continuum model for body centered cubic iron Actra Materialia 60 3894-3901 (2012) abstract
A. Hartmaier, Large-scale molecular dynamics studies and scale-briding models for deformation and failure of materials Hierarchical Methods for Dynamics in Complex Molecular Systems 10 107-114 (2012) abstract
N. Vajragupta, V. Uthaisangsuk, B. Schmaling, et al. A micromechanical damage simulation of dual phase steels using XFEM Computational Materials Science 54 271-279 (2012) abstract
J. Zhang, W. Yujie, S. Tao, et al. Twin boundary spacing-dependent friction in nanotwinned copper Physical Review B 85 5 (2012) abstract
B. Schmaling, A. Hartmaier, Determination of plastic material properties by analysis of residual imprint geometry of indentation Journal of Materials Research 27 2167-2177 (2012) abstract
S. Brinckmann, D. K. Mahajan, A. Hartmaier, A scheme to combine molecular dynamics and dislocation dynamics Modelling and Simulation in Materials Science and Engineering 20 045001 (2012) abstract
A. Ma, A. Hartmaier, Scale bridging modeling of plastic deformation and damage initiation in polycrystals Polycrystalline materials - theoretical and practical aspects INTECH, RIJEKA, CROATIA 3-26 (2012) abstract
B. Schmaling, Determination of plastic material properties on different length scales by indentation techniques and inverse analyses PhD Thesis Ruhr University of Bochum abstract
C. Begau, J. Hua, A. Hartmaier, A novel approach to study dislocation density tensors and lattice-rotation patterns in atomistic simulations Journal of the Mechanics and Physics of Solids 60 711-722 (2012) abstract
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) abstract
S. Brinckmann, R. Sivanesapillai, A. Hartmaier, On the formation of vacancies by edge dislocation dipole annihilation in fatigued copper International Journal of Fatigue 33 1369-1375 (2011) abstract
M. A. Lodes, A. Hartmaier, M. Göken, et al. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF2 single crystals: Experiments and molecular dynamics simulations Acta Materialia 59 4264-4273 (2011) abstract
M. Lodes, A. Hartmaier, M. Göken, et al. Influence of dislocation density on the pop-in behavior and indentation size effect in CaF(2) single crystals: Experiments and molecular dynamics simulations Acta Materialia 59 4264-4273 (2011) abstract
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) abstract
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) abstract
J. Pfetzing-Micklich, S. Brinckmann, S.J. Dey, et al. Micro-shear deformation of pure copper Materialwissenschaft und Werkstofftechnik 42 219-223 (2011) abstract
C. Begau, A. Hartmaier, E.P. George, et al. Atomistic processes of dislocation generation and plastic deformation during nanoindentation Acta Materialia 59 934-942 (2011) abstract
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) abstract
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) abstract
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) abstract
R. Darvishi Kamachali, J. Hua, I. Steinbach, et al. Multiscale simulations on the grain growth process in nanostructured materials International Journal of Materials Research 11 1332-1338 (2010) abstract
D. K. Mahajan, R. Estevez, S. Basu, Ageing and rejuvenation in glassy amorphous polymers Journal of the Mechanics and Physics of Solids 58 1474-1488 (2010) abstract
D. K. Mahajan, S. Basu, On the simulation of uniaxial, compressive behavior of amorphous, glassy polymers International Journal of Applied Mechanics 2 515-541 (2010) abstract
D. K. Mahajan, B. Singh, S. Basu, Void nucleation and disentanglement in glassy amorphous polymers Physical Review E 82 011803 (2010) abstract
J. Hua, A. Hartmaier, Determining Burgers vectors and geometrically necessary dislocation densities from atomistic data Modelling and Simulation in Materials Science and Engineering 18 045007 (2010) abstract
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) abstract
M. Fleck, E. A. Brener, R. Spatschek, et al. Elastic and plastic effects on solid-state transformations: a phase-field study International Journal of Materials Research 101 462-466 (2010) abstract
G. Ziegenhain, H. M. Urbassek, A. Hartmaier, Influence of crystal anisotropy on elastic deformation and onset of plasticity in nanoindentation: A simulational study Journal of Applied Physics 107 061807 (2010) abstract
J. Pesicka, A. Aghajani, C. Somsen, et al. How dislocation substructures evolve during long-term creep of a 12% Cr tempered martensitic ferritic steel Scripta Materialia 62 353-356 (2010) abstract
N. Ahmed, Multiscale modeling of deformation of polycrystalline metals PhD Thesis Faculty of mechanical engineering, Ruhr-Universität Bochum, Germany abstract
B. Schmaling, A. Ma, A. Hartmaier, Transformation induced plasticity modelling based on micromechanical approaches MMM 2010 Conference Proceedings 532-535 (2010) abstract
B. Eidel, A. Hartmaier, P. Gumbsch, Application of atomistic simulations for the investigation of fracture processes Multiscale modelling of plasticity and fracture by means of dislocation mechanics, CISM International Centre for Mechanical Sciences, Courses and Lectures SPRINGER-VERLAG, STUTTGART 522 1-58 (2010) abstract
I. Steinbach, X. Song, A. Hartmaier, Phase-field model with plastic flow for grain-growth in nanocrystalline material Philosophical Magazine 90 485-499 (2010) abstract
X. Zeng, A. Hartmaier, Modeling size effects on fracture toughness by dislocation dynamics Acta Materialia 58 301-310 (2010) abstract
A. Shaban, A. Ma, A. Hartmaier, Polycrystalline material deformation modeling with grain boundary sliding and damage accumulation Proceedings of 18th European Conference on Fracture (ECF18) 250-257 (2010) abstract
J. Hua, A. Hartmaier, Development of a method to determine Burgers vectors from atomistic data Journal of Physics: Conference Series 240 012010 (2010) abstract
B. Eidel, Coupling atomistic accuracy with continuum effectivity for predictive simulations in materials research - the Quasicontinuum method International Journal of Materials Research 100 1503-1512 (2009) abstract
R. Janisch, C. Elsässer, Interstitial impurities at grain boundaries in metals: insight from atomistic calculations International Journal of Materials Research 100 1488-1493 (2009) abstract
G. Ziegenhain, A. Hartmaier, H. M. Urbassek, Pair vs many-body potentials: influence on elastic and plastic behavior in nanoindentation of fcc metals Journal of the Mechanics and Physics of Solids 57 1514–1526 (2009) abstract
P. Armstrong, C. Knieke, M. Mackovic, et al. Microstructural evolution during deformation of tin dioxide nanoparticles in a comminution process Acta Materialia 57 3060–3071 (2009) abstract
A. Böhner, R. Janisch, A. Hartmaier, Ab initio investigation of diamond coatings on steel Scripta Materialia 60 504-507 (2009) abstract
B. Eidel, A. Stukowski, A variational formulation of the quasicontinuum method based on energy sampling in clusters Journal of the Mechanics and Physics of Solids 57 87-108 (2009) abstract
C. Kords, Leistungssteigerung beim trochoiden Fräsen durch Optimierung der mikroskopischen und makroskopischen Eingriffsbedingungen Master Thesis RWTH Aachen abstract
K. Higashida, M. Tanaka, A. Hartmaier, et al. Analyzing crack-tip dislocations and their shielding effect on fracture toughness Materials Science and Engineering A 483 13-18 (2008) abstract
M. Tanaka, Y. Hoshino, A. Hartmaier, et al. Crack tip dislocations and its shielding effect Materials Science Forum 561-565 1833-1836 (2008) abstract
N. C. Broedling, A. Hartmaier, H. Gao, Fracture toughness of layered structures: Embrittlement due to confinement of plasticity Engineering Fracture Mechanics 75 3743-3754 (2008) abstract
N. C. Broedling, A. Hartmaier, M. J. Buehler, et al. The strength limit in a bio-inspired metallic nanocomposite Journal of the Mechanics and Physics of Solids 56 1086-1104 (2008) abstract
D. Rupp, X. Zeng, S.M. Weygand, et al. Loading rate dependence of the fracture toughness of polycrystalline tungsten in the brittle and semi-brittle regime: experiments and modelling Proceedings of 17th European Conference on Fracture (ECF17) 667 (2008) abstract
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