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2021
H. Schaar, I. Steinbach, M. Tegeler. Numerical study of epitaxial growth after partial remelting during selective electron beam melting in the context of Ni–Al. Metals, 11, 2012, (2021)
H. Wang, D. Balzani, V. Vedula et al. On the potential self-amplification of aneurysms due to tissue degradation and blood flow revealed from FSI simulations. Frontiers in Physiology, 12, 785780, (2021)
A. Obaied, F. Tang, I. Roslyakova et al. ‘‘2 1/2th’’ generation Calphad databases: Extrapolating heat capacities of elements and compounds to 0K. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 75, 102352, (2021)
M. Grabowski. Atomistic simulations of vacancy mobility in the γ–phase of Ni-based superalloys. PhD Thesis, Ruhr-Universität Bochum, (2021)
H. Wang, T. Krüger, F. Varnik. Geometry and flow properties affect the phase shift between pressure and shear stress waves in blood vessels. Fluids, 6, 378, (2021)
M. Shahmardani Firouzjah, N. Vajragupta, A. Hartmaier. Influence of crystal plasticity parameters on the strain hardening behavior of polycrystals. Crystals, 11, 1473, (2021)
Y. A. Genenko, M.-H. Zhang, I. S. Vorotiahin et al. Multistep stochastic mechanism of polarization reversal in orthorhombic ferroelectrics. Physical Review B, 104, 184106, (2021)
F. Frankus. Numerical investigation on the modalities of hydrogen-assisted crack growth in DCB specimen. Master Thesis, Ruhr-Universität Bochum, (2021)
Y. Chiang. Prediction of anisotropic behavior for porous 316L stainless steel by machine learning methods. Master Thesis, Ruhr-Universität Bochum, (2021)
E. Fedorov. Accelerated force field development using active learning: the case of advanced electrolytes for Li-ion batteries. Master Thesis, Ruhr-Universität Bochum, (2021)
S. Menon, Y. Lysogorskiy, J. Rogal et al. Automated free-energy calculation from atomistic simulations. Physical Review Materials, 5, 103801, (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)
S. Kumtamukkula. Exploring deep generative modeling approaches with 2D to 3D polycrystalline icrostructures generation. Master Thesis, Ruhr-Univerisität Bochum, (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)
I. Sravani Dandu. Identification of mechanical properties from incremental indentation test. Master Thesis, Ruhr-Universität Bochum, (2021)
D. El Lahib. Verdichterschaufeln aus faserverstärktem Kunststoff für Turbomaschinen. Bachelor Thesis, Ruhr-Univerisität Bochum, (2021)
F. Scholz, M. Cevik, P. Hallensleben et al. A 3D analysis of dendritic solidification and mosaicity in Ni-based single crystal superalloys. Materials, 14, 4904, (2021)
A. Oswal. Design and development of complex stressed polymer-metal hybrid structures. Master Thesis, TU Dortmund, (2021)
N. Volz, F. Xue, A. Bezold et al. Design of a Co–Al–W–Ta alloy series with varying γ′ volume fraction and their thermophysical properties. Metallurgical and Materials Transactions A, 52, 3931–3944, (2021)
D. Gunasegaram, I. Steinbach. Modelling of microstructure formation in metal additive manufacturing: recent progress, research gaps and perspectives. Metals, 11, 1425, (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)
S. Starikov, D. Smirnova. Optimized interatomic potential for atomistic simulation of Zr-Nb alloy. Computational Materials Science, 197, 110581, (2021)
Y. Lee. Prediciton of the load-path dependent bahavior of a polycrystalline material by micromechanical modeling. Master Thesis, Ruhr-Universität Bochum, (2021)
L. Romaner, T. Pradhan, A. Kholtobina et al. Theoretical investigation of the 70.5 mixed dislocations in body-centered cubic transition metals. Acta Materialia, 217, 117154, (2021)
M. Rinaldi, M. Mrovec, M. Fähnle et al. Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations. Physical Review B, 104, 064413, (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)
N. Volz, F. Xue, C. H. Zenk et al. Understanding creep of a single-crystalline Co-Al-W-Ta superalloy by studying the deformation mechanism, segregation tendency and stacking fault energy. Acta Materialia, 214, 117019, (2021)
P. Stoyanov, R. Merz, M. Stricker et al. Achieving ultra-low friction with diamond/metal systems in extreme environments. Materials, 14, 3791, (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)
O. Aliyev. Analyse des Dämpfungsverhaltens von faserverstärkten Polymermatrix-Verbundwerkstoffen mit Hilfe der Finite-Elemente-Methode. Bachelor Thesis, Ruhr-Universität 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)
M. Ahmed, O. Horst, A. Obaied et al. Automated image analysis for quantification of materials microstructure evolution. Modelling and Simulation in Materials Science and Engineering, 29, 055012, (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)
S. Starikov, D. Smirnova, T. Pradhan et al. Angular-dependent interatomic potential for large-scale atomistic simulation of iron: development and comprehensive comparison with existing interatomic models. Physical Review Materials, 5, 063607, (2021)
A. Ferrari, Y. Lysogorskiy, R. Drautz. Design of refractory compositionally complex alloys with optimal mechanical properties. Physical Review Materials, 5, 063606, (2021)
A. Schratt, I. Steinbach, V. Mohles. Grain boundary energy landscape from the shape analysis of synthetically stabilized embedded grains. Computational Materials Science, 193, 110384, (2021)
A. Paulsen, H. Dumlu, D. Piorunek et al. Laboratory-scale processing and performance assessment of Ti–Ta high-temperature shape memory spring actuators. Shape Memory and Superelasticity, 7, 222–234, (2021)
Y. Lysogorskiy, C. van der Oord, A. Bochkarev et al. Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon. npj Computational Materials, 7, 97, (2021)
F. Habiyaremye, A. Guitton, F. Schäfer et al. Plasticity induced by nanoindentation in a CrCoNi medium-entropy alloy studied by accurate electron channeling contrast imaging revealing dislocation-low angle grain boundary interactions. Materials Science and Engineering: A, 817, 141364, (2021)
E. Tamsen, D. Balzani, B. Tas Kavakbasi. A general, implicit, finite-strain FE² framework for the simulation of dynamic problems on two scales. Computational Mechanics, 67, 1375–1394, (2021)
P. Metsch, R. Schiedung, I. Steinbach et al. Benchmark for the coupled magneto-mechanical boundary value problem in magneto-active elastomers. Materials, 14, 2380, (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)
S. Syubaev, E. Mitsai, S. Starikov et al. Laser-printed hemispherical silicon Mie resonators. Optics Letters, 46, 2304-2307, (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)
S. Motaman, C. Haase. The microstructural effects on the mechanical response of polycrystals: a comparative experimental-numerical study on conventionally and additively manufactured metallic materials. International Journal of Plasticity, 140, 102941, (2021)
A. Gupta, B. Tas, D. Korbmacher et al. A combined experimental and first-principles based assessment of finite-temperature thermodynamic properties of intermetallic Al₃Sc. Materials, 14, 1837, (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. Hurain. Anisotropic grain growth in ceramics in presence of grain boundary segregations. Master Thesis, Ruhr-Universität Bochum, (2021)
P. Maffettone, L. Banko, P. Cui et al. Crystallography companion agent for high-throughput materials discovery. Nature Computational Science, 1, 290-297, (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)
J. Kundin, H. Farhandi, K. Ganesan et al. Phase-field modeling of grain growth in presence of grain boundary diffusion and segregation in ceramic matrix mini-composites. Computational Materials Science, 190, 110295, (2021)
A. Tiwari. Thermal stress calculation of SPS coatings by FEM analysis. Master Thesis, Ruhr-Universität Bochum, (2021)
O. Horst, D. Schmitz, J. Schreuer et al. Thermoelastic properties and γ’-solvus temperatures of single-crystal Ni-base superalloys. Journal of Materials Science, 56, 7637–7658, (2021)
B. Medghalchi. Concentration-dependent finite temperature effects in metallic alloys. Master Thesis, Ruhr-Universität Bochum, (2021)
M. Bruns, M. Hassani, F. Varnik et al. Decelerated aging in metallic glasses by low temperature thermal cycling. Physical Review Research, 3, 013234, (2021)
D. Piorunek, O. Oluwaseyi, J. Frenzel et al. Effect of off-stoichiometric compositions on microstructures and phase transformation behavior in Ni-Cu-Pd-Ti-Zr-Hf high entropy shape memory alloys. Journal of Alloys and Compounds, 857, 157467, (2021)
F. Musil, M. Veit, A. Goscinski et al. Efficient implementation of atom-density representations. The Journal of Chemical Physics, 154, 114109, (2021)
X. Zhang, B. Mao, L. Mushongera et al. Laser powder bed fusion of titanium aluminides: an investigation on site-specific microstructure evolution mechanism. Materials & Design, 201, 109501, (2021)
S. Vakili. Multi-Phase-Field modelling of structure formation in metallic foams. PhD Thesis, Ruhr-Universität Bochum, Max-Planck-Institut für Eisenforschung, (2021)
T. Muslubas. Optimierung der mechanischen Belastbarkeit von Überspannungsableitern im GFK-Kreuzwickeldesign. Bachelor Thesis, Ruhr-Univerisität Bochum, (2021)
S. Sidrah. Scale-sensitive modeling of fracture and brittle-to-ductile transition in visco-plastic materials. Master Thesis, Ruhr-Universität Bochum, (2021)
H. Dumlu, A. Marquardt, E. Mahmoudinezhad Zirdehi et al. A mechanical analysis of chemically stimulated linear shape memory polymer actuation. Materials, 14, 481, (2021)
W. Hu. Generative deep neural networks for x-ray diffractograms decomposition. Master Thesis, Ruhr-Universität Bochum, (2021)
V. Lenz. Implementierung und Evaluation einer intuitiven Benutzeroberfläche für komplexes High-Performance Computing. Bachelor Thesis, Fernuniversität Hagen, (2021)
R. Srinivas Varanasi. Mechanismsm of refinement and deformation of novel ultrafine-grained medium manganese steels with improved mechanical properties. PhD Thesis, Ruhr-Universität Bochum, (2021)
M. Ramaswamy Guru Prasad. Microstructure-sensitive modeling of mechanical behavior of polycrystalline metals and superalloys. PhD Thesis, Ruhr-Universität Bochum, (2021)
S. Farzaneh Kalourazi. Python based automated data correlation on aluminum cast alloys. Master Thesis, Ruhr-Universität Bochum, (2021)
J. Jenke, A. Ladines, T. Hammerschmidt et al. Tight-binding bond parameters for dimers across the periodic table from density-functional theory. Physical Review Materials, 5, 023801, (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)
V. Khalili, J. Frenzel, G. Eggeler. Degradation behavior of the MgO/HA surface ceramic nano-composites in the simulated body fluid and its use as a potential bone implant. Materials Chemistry and Physics, 258, 123965, (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)
L. Heep, C. Schwalbe, C. Heinze et al. Dislocation networks in gamma/gamma’-microstructures formed during selective laser melting of a Ni-base superalloy. Scripta Materialia, 190, 121–125, (2021)
J. He, L. Cao, S. Makineni et al. Effect of interface dislocations on mass flow during high temperature and low stress creep of single crystal Ni-base superalloys. Scripta Materialia, 191, 23–28, (2021)
M. Hassan. Influence of W-concentration on creep-behavior and phase stability in polycrystalline Ni-based superalloys. Master Thesis, Ruhr-Universität Bochum, (2021)
J. Wu, Z. Wu, L. Liu et al. MD simulation study on defect evolution and doping efficiency of p-type doping of 3C-SiC by Al ion implantation with subsequent annealing. Journal of Materials Chemistry C, 7, 2258-2275, (2021)
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)
E. Mahmoudinezhad Zirdehi, H. Dumlu, G. Eggeler et al. On the size effect of additives in amorphous shape memory polymers. Materials, 14, 327, (2021)
E. Zirdehi, H. Dumlu, G. Eggeler et al. On the size effect of additives in amorphous shape memory polymers. Materials, 14, 327, (2021)
T. Kalfhaus, H. Schaar, F. Thaler et al. Path to single-crystalline repair and manufacture of Ni-based superalloy using directional annealing. Surface and Coatings Technology, 405, 126494, (2021)
H. Wang, S. Botti, M. Marques. Predicting stable crystalline compounds using chemical similarity. npj Computational Materials, 7, 12, (2021)
V. Khalili, S. Moslemi, B. Ruttert et al. Surface metal matrix nano-composite of magnesium/hydroxyapatite produced by stir-centrifugal casting. Surface and Coatings Technology, 406, 126654, (2021)