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2024
D. Nerella, M. Ali, H. Salama et al. Automated workflow for phase‐field simulations: Unveiling the impact of heat‐treatment parameters on bainitic microstructure in steel. Advanced Engineering Materials, n/a, 2400905, (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)
W. Luo, C. Gasper, S. Zhang et al. Non-basal plasticity in the μ-phase at room temperature. Acta Materialia, 277, 120202, (2024)
A. Chauniyal, P. Thome, M. Stricker. Employing constrained nonnegative matrix factorization for microstructure segmentation. Microscopy and Microanalysis, 30, 712–723, (2024)
H. Sajjad, T. Chudoba, A. Hartmaier et al. Inverse method to determine parameters for time-dependent and cyclic plastic material behavior from instrumented indentation tests. Materials, 17, 3938, (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)
A. Nammalvar Raja Rajan, M. Krochmal, T. Wegener et al. Micro-macro modeling of tensile behavior of a friction stir welded hybrid joint of AlSi10Mg parts produced by powder bed fusion and casting. Welding in the World, 68, 1693-1705, (2024)
M. Pan, X. Chen, M. He et al. Optimizing fatigue performance in gradient structural steels by manipulating the grain size gradient rate. Materials, 17, 3210, (2024)
R. Shoghi, A. Hartmaier. A machine learning constitutive model for plasticity and strain hardening of polycrystalline metals based on data from micromechanical simulations. Machine Learning: Science and Technology, 5, 025008, (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)
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)
A. Nammalvar Raja Rajan, M. Krochmal, T. Wegener et al. Micro-macro modeling of tensile behavior of a friction stir welded hybrid joint of AlSi₁₀Mg parts produced by powder bed fusion and casting. Welding in the World, 68, 1693–1705, (2024)
S. Li, L. Shi, Ji. Chen et al. Effect of hierarchical martensitic microstructures on the ductile-brittle transition behavior of friction stir welded reduced activation ferritic/martensitic steel. Materials Science and Engineering: A, 896, 146324, (2024)
J. Schmidt, A. Hartmaier. A texture-dependent yield criterion. 11th GAMM AG Data Workshop TU Dresden February 06/07, 2024, 18, (2024)
R. Shoghi, L. Morand, D. Helm et al. Optimizing machine learning yield functions using query-by-committee for support vector classification with a dynamic stopping criterion. Computational Mechanics, 73, 1-20, (2024)
2023
J. Schmidt, A. Hartmaier. A new texture descriptor for data-driven constitutive modeling of anisotropic plasticity. Journal of Materials Science, 58, 14029–14050, (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)
Y. Schneider, V. Guski, A. Sahin et al. Investigation of auxetic structural deformation behavior of PBAT polymers using process and finite element simulation. Polymers, 15, 3142, (2023)
A. Nammalvar Raja Rajan, M. Krochmal, M. Shahmardani et al. Micromechanical modeling of the low-cycle fatigue behavior of additively manufactured AlSi₁₀Mg. Materials Science and Engineering: A, 2023, 145232, (2023)
G. Eshlaghi, G. Egels, S. Benito et al. Three-dimensional microstructure reconstruction for two-phase materials from three orthogonal surface maps. Frontiers in Materials, 10, 1-17, (2023)
M. Shahmardani Firouzjah, R. Logvinov, T. Babinský et al. Experimental assessment and micromechanical modeling of additively manufactured austenitic steels under cyclic loading. Advanced Engineering Materials, 25, 2300103, (2023)
A. Chauniyal, R. Janisch. How coherent and semi-coherent interfaces govern dislocation nucleation in lamellar TiAl alloys. Advanced Engineering Materials, -, 2300121, (2023)
S. Motahari, A. Chauniyal, R. Janisch. Investigating the microplastic behavior of hierarchical polycrystalline γ-TiAl microstructures. Computational Materials Science, 226, 112197, (2023)
S. Benito, G. Egels, A. Hartmaier et al. Statistical characterization of segregation-driven inhomogeneities in metallic microstructures employing fast first-order variograms. Materials Today Communications, 34, 105016, (2023)
A. Biswas, D. Kurtulan, T. Ngeru et al. Mechanical behavior of austenitic steel under multi-axial cyclic loading. Materials, 16, 1367, (2023)
L. Zhao, J. Zhang, J. Zhang et al. Numerical simulation of materials-oriented ultra-precision diamond cutting: review and outlook. International Journal of Extreme Manufacturing, 5, 022001, (2023)
J. Hufert, A. Grebhardt, Y. Schneider et al. Deformation behavior of 3D printed auxetic structures of thermoplastic polymers: PLA, PBAT, and blends. Polymers, 15, 389, (2023)
M. Shahmardani Firouzjah, A. Hartmaier. Microstructure-sensitive crystal plasticity modeling for austenitic steel and nickel-based superalloy under isothermal fatigue loading. Metallurgical and Materials Transactions A, Jan 2023, 1-12, (2023)
2022
M. Murat. Numerical analysis of anisotropic yield behavior of single phase titanium aluminide constituents γ-TiAl and α2 -Ti3Al by means of finite element models based on crystal plasticity theory. Master Thesis, Ruhr-Univerisität Bochum, (2022)
O. Sen. Atomistic simulations of crack-tip interface interactions in TiAl microstructures. Master Thesis, Ruhr-Universität Bochum, (2022)
L. Zhao, J. Zhang, Y. Fu et al. Thermal softening-suppressed inter-granular embrittlement of polycrystalline 3C-SiC under diamond cutting. Materials & Design, 223, 111250, (2022)
L. Zhao, J. Zhang, J. Zhang 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)
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)
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. Sangsefidi, S. Dibajian, J. Kadkhodapour et al. An Abaqus plugin for evaluation of the Auxetic structure performance. Engineering with Computers, 38, 1681–1704, (2022)
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)
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. Modelling and Simulation in Materials Science and Engineering, 30, 055007, (2022)
F. Valiente Dies. Development of a machine learning model to reconstruct 3D microstructures from 2D cuts. Master Thesis, Ruhr-Universität Bochum, (2022)
Y. Schneider, D. Rapp, Y. Yang et al. Many-scale investigations of deformation behavior of polycrystalline composites: II—micro-macro simultaneous FE and discrete dislocation dynamics simulation. Materials, 15, 2852, (2022)
R. Shoghi, A. Hartmaier. Optimal data-generation strategy for machine learning yield functions in anisotropic plasticity. Frontiers in Materials, 9, 879614154, (2022)
A. Neogi, R. Janisch. Unravelling the lamellar size-dependent fracture behavior of fully lamellar intermetallic γ -TiAl. Acta Materialia, 227, 117698, (2022)
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)
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)
Y. Schneider, U. Weber, Ch. Xu et al. Experimental and numerical investigations of micro-meso damage evolution for a WC/Co-type tool material. Materialia, 21, 101343, (2022)
Z. Hamzeh. Finite element modelling of the influence of porosity in indentation tests. Master Thesis, Ruhr-Universität Bochum, (2022)
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)
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)
2021
M. Shahmardani Firouzjah, N. Vajragupta, A. Hartmaier. Influence of crystal plasticity parameters on the strain hardening behavior of polycrystals. Crystals, 11, 1473, (2021)
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)
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)
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. Paiva do Nascimento. An optimized method to determine advanced yield surface initial parameters for sheet metal forming applications. Master Thesis, Ruhr-Univerisität Bochum, (2021)
K. Abrahams, S. Zomorodpoosh, A. Riyahi khorasgani et al. Automated assessment of a kinetic database for fcc Co-Cr-Fe-Mn-Ni high entropy alloys. Modelling and Simulation in Materials Science and Engineering, 29, 055007, (2021)
A. Chauniyal. Deformation behavior of lamellar TiAl alloys – an atomistic study. PhD Thesis, Ruhr-Universität Bochum, (2021)
Y. Schneider, R. Zielke, C. Xu et al. Experimental investigations of micro-meso damage evolution for a Co/WC-type tool material with application of digital image correlation and machine learning. Materials, 14, 3562, (2021)
J. Schmidt. Prediction of Yld2004-18p anisotropic coefficients using ML methods. Master 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)
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)
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. Kundin, I. Steinbach, K. Abrahams et al. Pair-exchange diffusion model for multicomponent alloys revisited. Materialia, 16, 101047, (2021)
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)
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)
Y. Schneider, W. Wasserbäch, S. Schmauder et al. A numerical method to improve the representativeness of real microstructure cut-outs applied in finite element simulations. Crystals, 11, 382, (2021)
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)
A. Tiwari. Thermal stress calculation of SPS coatings by FEM analysis. Master Thesis, Ruhr-Universität Bochum, (2021)
V. Lenz. Implementierung und Evaluation einer intuitiven Benutzeroberfläche für komplexes High-Performance Computing. Bachelor Thesis, Fernuniversität Hagen, (2021)
M. Ramaswamy Guru Prasad. Microstructure-sensitive modeling of mechanical behavior of polycrystalline metals and superalloys. PhD Thesis, Ruhr-Universität Bochum, (2021)
L. Zhao, J. Zhang, J. Zhang et al. Atomistic investigation of machinability of monocrystalline 3C–SiC in elliptical vibration-assisted diamond cutting. Ceramics International, 47, 2358-2366, (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)
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)
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)
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)
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)
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)
W. Amin. Micromechanical modeling of metals using strain gradient crystal plsticity-coupled phase field model. PhD Thesis, Ruhr-Universität Bochum, (2020)
P. Ståhle, M. Shahmardani Firouzjah, S. Kao-Walter. On buckling and fracture of thin elastic-plastic foils. Procedia Structural Integrity, 28, 2065-2071, (2020)
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)
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)
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)
Y. Schneider, U. Weber, W. Wasserbäch et al. A numerical method for the generation of hierarchical Poisson Voronoi microstructures applied in micromechanical finite element simulations—part I: method. Computational Mechanics, 66, 651–667, (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)
A. Biswas. Micromechanical modeling of mechanical behavior of additively manufactured components. PhD Thesis, Ruhr-Universität Bochum, (2020)
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)
H. Sajjad. Constitutive modeling of cyclic plasticity and parameter assessment by inverse methods. PhD Thesis, Ruhr-Universität Bochum, (2020)
M. 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)
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)
H. Sajjad, H. 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)
B. Schaefer. Micromechanical modelling of fatigue crack initiation in the martensitic high-strength steel SAE 4150. PhD Thesis, Ruhr-Universität Bochum, (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)
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)
K. Abrahams. From atomic mobilities to multi-component interdiffusion simulations in solids: model development and automated data assessment. PhD Thesis, Ruhr Universität Bochum, (2020)
M. 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)
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)
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)
A. Hartmaier. Data-oriented constitutive modeling of plasticity in metals. Materials, 13, 1600, (2020)
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)
S. Gao, M. 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)
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)
A. Biswas, M. Ramaswamy Guru Prasad, N. Vajragupta et al. Kanapy: synthetic polycrystalline microstructure generator with geometry and texture. Zenodo Repository, (2020)
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)
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)
M. Shahmardani Firouzjah, N. Vajragupta, A. Hartmaier. Robust optimization scheme for inverse method for crystal plasticity model parametrization. Materials, 13, 735, (2020)
M. Shoaib. Sustainable secondary packaging materials: tribology and wear. Master Thesis, Ruhr Universität Bochum, (2020)
Z. Wang, J. Zhang, J. Zhang et al. Towards an understanding of grain boundary step in diamond cutting of polycrystalline copper. Journal of Materials Processing Technology, 276, 116400, (2020)
2019
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)
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)
J. Engels. An inverse analysis approach for parameterization of non-local crystal plasticity modeling using sphero-conical nanoindentation. PhD Thesis, Ruhr-Universität Bochum, (2019)
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)
B. Schaefer, P. Sonnweber-Ribic, H. Hassan et al. Micromechanical modeling of fatigue crack nucleation around non-metallic inclusions in martensitic high-strength steels. Metals, 9, 1258, (2019)
M. Boeff, H. 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)
J. 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)
B. 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)
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)
W. Amin, M. 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)
C. Wang, M. 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)
D. Reimann, K. Nidadavolu, H. Hassan et al. Modeling macroscopic material behavior with machine learning algorithms trained by micromechanical simulations. Frontiers in Materials, 6, 181, (2019)
O. Shchyglo, G. Du, J. Engels et al. Phase-field simulation of martensite microstructure in low-carbon steel. Acta Materialia, 175, 415-425, (2019)
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)
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)
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)
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)
H. 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)
Y. Schneider, A. Bertram, T. Böhlke. Three-dimensional simulation of local and global behaviour of αFe-Cu composites under large plastic deformation. Technische Mechanik, 33, 34-51, (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)
D. Gaertner, K. Abrahams, J. Kottke et al. Concentration-dependent atomic mobilities in FCC CoCrFeMnNi high-entropy alloys. Acta Materialia, 166, 357-370, (2019)
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)
B. 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)
S. Rooein. Experimental analysis and micromechanical modeling of gas diffusion layers (GDL) for PEM fuel cell application. (2019)
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)
Z. Zhou, S. Sun, L. Zou et al. Enhanced strength and high temperature resistance of 25Cr20Ni ODS austenitic alloy through thermo-mechanical treatment and addition of Mo. Fusion Engineering and Design, 138, 175–182, (2019)
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)
2018
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)
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)
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)
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)
H. Hassan, K. Govind, A. Hartmaier. Micromechanical modelling of coupled crystal plasticity and hydrogen diffusion. Philosophical Magazine, 99, 92-115, (2018)
Z. Wang, J. Zhang, H. 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)
M. Markl, A. Müller, N. Ritter et al. Development of single-crystal Ni-base superalloys based on multi-criteria numerical optimization and efficient use of refractory elements. Metallurgical and Materials Transactions A, 49, 4134-4145, (2018)
J. 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)
H. Ganesan, C. Begau, G. Sutmann. MC/MD coupling for scale bridging simulations of solute segregation in solids: An application study. Communications in Computer and Information Science, 889, 112-127, (2018)
Z. Xu, Z. He, Y. Song et al. Topic Review: Application of Raman spectroscopy characterization in micro/nano-machining. Micromechanics, 2018, 361, (2018)
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)
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)
R. Stern, T. Wang, J. Carrete et al. Influence of point defects on the thermal conductivity in FeSi. Physical Review B, 97, 195201, (2018)
A. Katre, J. Carrete, T. Wang et al. Phonon transport unveils the prevalent point defects in GaN. Physical Review Materials, 2, 050602, (2018)
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)
D. Korbmacher, J. von Pezold, S. Brinckmann et al. Modeling of phase equilibria in Ni-H: Bridging the atomistic with the continuum scale. Metals, 8, 280, (2018)
S. Gupta, P. Kucharczyk, S. Münstermann et al. Prestraining induced enhancement in the fatigue limit obtained by load increasing thermal method for metastable austenitic stainless steel. Steel Research International, 89, 1700434, (2018)
M. Hassani, P. Engels, F. Varnik. Wall effects on spatial correlations of non-affine strain in a 3D model glass. EPL Journal, 121, 18005, (2018)
G. Liang, S. Schmauder, M. Lyu et al. An investigation of the influence of initial roughness on the friction and wear behavior of ground surfaces. Materials, 11, 237, (2018)
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)
Z. Zhang, J. Cui, B. Wang et al. In situ TEM observation of rebonding on fractured silicon carbide. Nanoscale, 10, 6261-6269, (2018)
2017
Y. Schneider, W. Wasserbäch, S. Schmauder. Experimental and micro‐macro integrated FE investigation of texture and microstructure evolution in polycrystalline Ag‐SnO₂ metal matrix composites. PAMM, 17, 461–462, (2017)
A. Mishra. First principles calculations on field evaporation from metal surfaces. (2017)
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)
N. Vajragupta, H. Hassan, A. Hartmaier. Towards prediction of springback in deep drawing using a micromechanical modeling scheme. Procedia Engineering, 207, 60-65, (2017)
M. Boeff, H. Hassan, A. Hartmaier. Micromechanical modeling of fatigue crack initiation in polycrystals. Journal of Materials Research, 32, 4375-4386, (2017)
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)
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)
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)
G. Sutmann, H. Ganesan, C. Begau. Cluster formation in stochastic disk systems. AIP Conference Proceedings, 1863, 560089, (2017)
A. Hartmaier. Vom Atom zum Bauteil und zurück. Physik in unserer Zeit, 48, 190-197, (2017)
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)
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)
T. Wang, J. Carrete, A. Roekeghem et al. Ab initio phonon scattering by dislocations. Physical Review B, 95, 7, (2017)
B. Dongre, T. Wang, G. Madsen. Comparison of the Green–Kubo and homogeneous non-equilibrium molecular dynamics methods for calculating thermal conductivity. Modelling and Simulation in Materials Science and Engineering, 25, 8, (2017)
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)
J. Carrete, B. Vermeersch, A. Katre et al. almaBTE: A solver of the space-time dependent Boltzmann transport equation for phonons in structured materials. Computer Physics Communications, 220, 351-362, (2017)
2016
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)
H. Heyn. Molecular Dynamics Simulation of nanoindentation of cc and bcc systems: Influence of hydrogen on vacancies. Master Thesis, Ruhr-Universität Bochum, (2016)
H. 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)
R. Scholz, R.-M. Mittendorf, J. Engels et al. Direction-dependent mechanical characterization of cellulose-based composite vulcanized fiber. Materials Testing, 58, 813-817, (2016)
E. Borukhovich, M. Boeff, A. Monas et al. Full-field simulation of solidification and forming of polycrystals. MATEC Web of Conferences, 80, 02014, (2016)
M. Kulosa. Modellierung der elastischen und thermischen Eigenschaften sowie des Schädigungsverhaltens poröser partikelbasierter Keramiken. PhD Thesis, Ruhr-Universität Bochum, (2016)
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)
R. Hameed. Micromechanical modeling of strength of tempered martensitic steels based on crystal plasticity. PhD Thesis, Ruhr-Universität Bochum, (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)
M. Hassani, P. 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)
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)
M. Boeff. Micromechanical modelling of fatigue crack initiation and growth. PhD Thesis, Ruhr-Universität Bochum, (2016)
R. Sivanesapillai. Pore-scale study of non-Darcian fluid flow in porous media using smoothed-particle hydrodynamics. PhD Thesis, Ruhr-Universität Bochum, (2016)
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)
E. Turchenko. Automated data proceeding and its application to creep experiments. Master Thesis, Ruhr-Universtität Bochum, (2016)
E. Turchenko. Automated data proceeding and its application to creep experiments. Master thesis, (2016)
M. Dakshinamurthy. Micromechanical modeling of the effect of transformation induced plasticity on crack propagation in multiphase steels. 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)
A. Asaadi. Molecular dynamics simulations of nano-indentation in lamellar γ-γ' microstructures of TiAl. Master Thesis, Ruhr-Universität Bochum, (2016)
V. Begum. Parallelization of Wolff single-cluster algorithm in 2D Ising model with MPI. Master Thesis, Ruhr-Universität Bochum, (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)
S. Gao. 3D discrete dislocation dynamics study on fundamental creep mechanisms in single crystal superalloys. PhD Thesis, Ruhr-Universität Bochum, (2016)
P. Engels. A multi-phase-field simulation approach incorprating finite, elasto-plastic deformations. PhD Thesis, Ruhr-Universität Bochum, (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
J. Görler, S. Brinckmann, O. Shchyglo et al. Gamma-channel stabilization mechanism in Ni-base superalloys. Philosophical Magazine Letters, 95, 519-525, (2015)
M. Kanani. Correlation of deformation mechanisms and atomistic structure of interfaces in lamellar TiAl alloys. PhD Thesis, Ruhr-Universität Bochum, (2015)
M. Boeff, F. Gutknecht, P. Engels et al. Formulation of nonlocal damage models based on spectral methods for application to complex microstructures. Engineering Fracture Mechanics, 147, 373-387, (2015)
E. Borukhovich, P. Engels, J. Mosler et al. Large deformation framework for phase-field simulations at the mesoscale. Computational Materials Science, 108, 367-373, (2015)
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)
M. Golam. Investigation of hydrogen trapping in model alloys with and without internal oxide precipitates. Master Thesis, Ruhr-Universität Bochum, (2015)
H. Shabbir. Multi scale simulations: Interaction between γ' precipitate and interfacial dislocation in nickel base superalloys. Master Thesis, Ruhr-Universität Bochum, (2015)
S. Gao, M. 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)
A. Kauws. Investigation of mechanical properties of martensite packets using inverse analysis. Master Thesis, Ruhr-Universität Bochum, (2015)
J. Zhang, C. Begau, L. Geng et al. Atomistic investigation of wear mechanisms of a copper bi-crystal. Wear, 332-333, 941-948, (2015)
T. Wang. Large-scale molecular dynamics simulation of growth, microstructure and properties of thermal-sprayed coatings. PhD Thesis, Ruhr-Universität Bochum, (2015)
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)
L. Sharma. Implementation and comparison of different damage criteria in the framework of crystal plasticity. Master Thesis, Ruhr-Universität Bochum, (2015)
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)
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)
A. Ma, A. Hartmaier. A study of deformation and phase transformation coupling for TRIP-assisted steels. International Journal of Plasticity, 64, 40-55, (2015)
C. Begau, G. Sutmann. Adaptive dynamic load-balancing with irregular domain decomposition for particle simulations. Computer Physics Communications, 190, 51-61, (2015)
P. Schwittek. Micromechanical and continuum modeling of hydrogen assisted steel degradation. PhD Thesis, Ruhr-Universität Bochum, (2015)
S. Gupta. Micromechanical modeling of martensitic phase transformation in steels based on nonlocal crystal plasticity. PhD Thesis, Ruhr-Universität Bochum, (2015)
U. Unije. Simulation of transport processes through asymmetric gas separation membrane. 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)
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)
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)
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)
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)
J. Mosler, O. Shchyglo, H. Montazer Hojjat. A novel homogenization method for phase field approaches based on partial rank-one relaxation. Journal of the Mechanics and Physics of Solids, 68, 251-266, (2014)
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)
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)
B. Reinholz. Discrete disclination dynamics: microstructure evolution in Ni-Mn-Ga shape-memory alloys. PhD Thesis, Ruhr-Universität Bochum, (2014)
J. Amodeo, C. Begau, E. Bitzek. Atomistic simulations of compression tests on Ni₃Al nanocubes. Materials Research Letters, 2, 140-145, (2014)
E. Borukhovich, P. Engels, T. Böhlke et al. Large strain elasto-plasticity for diffuse interface models. Modelling and Simulation in Materials Science and Engineering, 22, 034008, (2014)
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)
T. Katiyar. Phase-field study of mechanically driven grain growth. Master Thesis, Ruhr-Universität Bochum, (2014)
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)
J. Zhang, R. Rynko, J. Frenzel et al. Ingot metallurgy and microstructural characterization of Ti–Ta alloys. International Journal of Materials Research, 105, 156-167, (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)
J. Heyer, S. Brinckmann, J. Pfetzing-Micklich et al. Microshear deformation of gold single crystals. Acta Materialia, 62, 225-238, (2014)
C. Begau, A. Hartmaier. Microstructural characterization of shape memory alloys on the atomic scale. TMS 2014 Supplemental Proceedings, 247-256, (2014)
P. Engels, C. Begau, S. Gupta et al. Multiscale modelling of nanoindentation: from atomistic to continuum models. Nanomechanical analysis of high performance materials, 203, 285-322, (2014)
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)
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)
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)
S. Sampath, R. Janisch. Ab initio prediction of the critical thickness of a precipitate. Journal of Physics: Condensed Matter, 25, 355005, (2013)
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 3^rd International Conference of Engineering Against Failure, (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. Bandaru. Oblique angle deposition of TiO₂ thin films doped with Nb, W, Fe for solar water splitting. Master Thesis, Ruhr-Universität Bochum, (2013)
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)
A. Köster. Plastic deformation and phase transformation: constitutive description of transformation induced plasticity steels. PhD Thesis, Ruhr-Universität Bochum, 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)
J. Pfetzing-Micklich, C. Somsen, A. Dlouhy et al. On the crystallographic anisotropy of nanoindentation in pseudoelastic NiTi. Acta Materialia, 61, 602-616, (2013)
2012
P. Engels, A. Ma, A. Hartmaier. Continuum simulation of the evolution of dislocation densities during nanoindentation. International Journal of Plasticity, 38, 159-169, (2012)
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)
C. Begau. Characterization of crystal defects during molecular dynamics simulations of mechanical deformation. Ph.D. Thesis, Ruhr-University Bochum, (2012)
D. Mahajan, A. Hartmaier. Mechanisms of crazing in glassy polymers revealed by molecular dynamics simulations. Physical Review E, 86, 021802, (2012)
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)
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)
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)
A. Köster, A. Ma, A. Hartmaier. Atomistically informed continuum model for body centered cubic iron. Actra Materialia, 60, 3894-3901, (2012)
A. Köster, A. Ma, A. Hartmaier. Atomistically informed crystal plasticity model for body-centered cubic iron. Acta Materialia, 60, 3894–3901, (2012)
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)
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)
J. Zhang, W. Yujie, S. Tao et al. Twin boundary spacing-dependent friction in nanotwinned copper. Physical Review B, 85, 5, (2012)
B. Schmaling. Determination of plastic material properties on different length scales by indentation techniques and inverse analyses. Ph.D. Thesis, Ruhr-University Bochum, (2012)
A. Ma, A. Hartmaier. Scale bridging modeling of plastic deformation and damage initiation in polycrystals. Polycrystalline materials - theoretical and practical aspects, 3-26, (2012)
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)
S. Brinckmann, D. Mahajan, A. Hartmaier. A scheme to combine molecular dynamics and dislocation dynamics . Modelling and Simulation in Materials Science and Engineering, 20, 045001, (2012)
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)
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)
R. Hameed. Fitting of plasticity parameters based on indentatiotion results. Master thesis, (2011)
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)
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)
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)
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)
Y. Schneider, E. Soppa, C. Kohler et al. Numerical and experimental investigations of the global and local behaviour of an Al(6061)/Al2O3 metal matrix composite under low cycle fatigue. Procedia Engineering, 10, 1515–1520, (2011)
J. Pfetzing-Micklich, S. Brinckmann, S.J. Dey et al. Micro-shear deformation of pure copper. Materialwissenschaft und Werkstofftechnik, 42, 219-223, (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)
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)
B. Eidel. Crystal plasticity finite-element analysis versus experimental results of pyramidal indentation into (001) fcc single crystal. Acta Materialia, 59, 1761-1771, (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. 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)
D. Mahajan, R. Estevez, S. Basu. Ageing and rejuvenation in glassy amorphous polymers. Journal of the Mechanics and Physics of Solids, 58, 1474-1488, (2010)
D. Mahajan, S. Basu. On the simulation of uniaxial, compressive behavior of amorphous, glassy polymers. International Journal of Applied Mechanics, 2, 515-541, (2010)
D. Mahajan, B. Singh, S. Basu. Void nucleation and disentanglement in glassy amorphous polymers. Physical Review E, 82, 011803, (2010)
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)
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)
Y. Schneider, A. Bertram, T. Böhlke et al. Plastic deformation behaviour of Fe–Cu composites predicted by 3D finite element simulations. Computational Materials Science, 48, 456–465, (2010)
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)
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)
G. Ziegenhain, H. 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)
Y. Liu, D. Liang, J. Zhang. Thermodynamic Descriptions for the Sn-Te and Pb-Sn-Te Systems . Journal of Electronic Materials, 29, 246-257, (2010)
I. Steinbach, X. Song, A. Hartmaier. Phase-field model with plastic flow for grain-growth in nanocrystalline material. Philosophical Magazine, 90, 485-499, (2010)
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, 522, 1-58, (2010)
J. Hua, A. Hartmaier. Development of a method to determine Burgers vectors from atomistic data. Journal of Physics: Conference Series, 240, 012010, (2010)
X. Zeng, A. Hartmaier. Modeling size effects on fracture toughness by dislocation dynamics. Acta Materialia, 58, 301-310, (2010)
N. Ahmed. Multiscale modeling of deformation of polycrystalline metals. Ph.D. Thesis, Ruhr-Universität Bochum, (2010)
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)
B. Schmaling, A. Ma, A. Hartmaier. Transformation induced plasticity modelling based on micromechanical approaches. MMM 2010 Conference Proceedings, 532-535, (2010)
2009
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)
R. Janisch, C. Elsässer. Interstitial impurities at grain boundaries in metals: insight from atomistic calculations. International Journal of Materials Research, 100, 1488-1493, (2009)
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)
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)
A. Böhner, R. Janisch, A. Hartmaier. Ab initio investigation of diamond coatings on steel . Scripta Materialia, 60, 504-507, (2009)
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)
C. Kords. Leistungssteigerung beim trochoiden Fräsen durch Optimierung der mikroskopischen und makroskopischen Eingriffsbedingungen. Master Thesis, RWTH Aachen, (2009)
2008
Y. Schneider, A. Bertram, T. Böhlke et al. Plastic deformation behaviour of Fe-Cu composites modelled by real morphologies. MicroMacro-Interactions, 63-76, (2008)
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)
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 17^th European Conference on Fracture (ECF17), 667, (2008)
M. Tanaka, Y. Hoshino, A. Hartmaier et al. Crack tip dislocations and its shielding effect. Materials Science Forum, 561-565, 1833-1836, (2008)
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)
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)

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