Just another WordPress site - Ruhr-Universität Bochum

2022
C. Lauhoff, T. Pham, A. Paulsen et al. A novel thermo-mechanical processing route exploiting abnormal grain growth in Heusler-type Co–Ni–Ga shape memory alloys. Metallurgical and Materials Transactions A, 53, 4139–4142, (2022)
K. Ciftci, K. Hackl. Model-free data-driven simulation of inelastic materials using structured data sets, tangent space information and transition rules. Computational Mechanics, 70, 425–435, (2022)
M. Rinaldi. Modelling magnetism from the electronic structure to continuum for iron and its alloys. PhD Thesis, Ruhr-Univerisität Bochum, (2022)
A. Bochkarev, Y. Lysogorskiy, C. Ortner et al. Multilayer atomic cluster expansion for semilocal interactions. Physical Review Research, 4, L042019, (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)
A. Riyahi khorasgani, J. Kundin, S. Divinski et al. Reassessment of mobility parameters for Cantor high entropy alloys through an automated procedure. CALPHAD Journal, 79, 102498, (2022)
O. Sen. Atomistic simulations of crack-tip interface interactions in TiAl microstructures. Master Thesis, Ruhr-Universität Bochum, (2022)
S. M. Benito. Design, implementation, and application of original methods of the microstructural characterization of powder metallurgy tool steels. PhD Thesis, Ruhr-Univerisität Bochum, (2022)
A. Kostka, D. Naujoks, T. Oellers et al. Linear growth of reaction layer during in-situ TEM annealing of thin film Al/Ni diffusion couples. Journal of Alloys and Compounds, 922, 165926, (2022)
I. Pietka, R. Drautz, T. Hammerschmidt. strucscan: a lightweight Python-based framework for high-throughput material simulation. Journal of Open Source Software, 7, 4719, (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)
N. Sayer, E. Natkowski, P. Sonnweber-Ribic et al. A novel microscale fatigue failure indicator considering plastic irreversibility for microstructure-based lifetime simulation. International Journal of Fatigue, 163, 107115, (2022)
B. Xiao, Y. Lysogorskiy, A. Savan et al. Correlations of composition, structure, and hardness in the high-entropy alloy system Nb–Mo–Ta–W. High Entropy Alloys and Materials, 1, 1-22, (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. Lagogianni, F. Varnik. Temperature rise inside shear bands in a simple model glass. International Journal of Molecular Sciences, 23, 12159, (2022)
A. Klomp, R. Khachaturyan, T. Wallis et al. Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling. Physical Review Materials, 6, 104411, (2022)
F. Shen, S. Münstermann, J. Lian. A unified fracture criterion considering stress state dependent transition of failure mechanisms in bcc steels at –196 °C. International Journal of Plasticity, 159, 103365, (2022)
D. Szeliga, Y. Chang, L. Madej et al. Correlating the microstructural heterogeneity with local formability of cold‐rolled dual‐phase and complex‐phase steels through hardness gradients. steel research international, 93, 2200130, (2022)
V. Khalili, C. Sengstock, Y. Kalchev et al. Exploring MgO/HA ceramic nano-composites for biodegradable implants: Exploring biological properties and micromechanics. Surface and Coatings Technology, 445, 128730, (2022)
A. Dimou, P. Hirel, A. Grünebohm. Pinning of domain walls by strontium layer in BaTiO₃ perovskite: an atomic-scale study. Physical Review B, 106, 094104, (2022)
S. Ramakers, A. Marusczyk, M. Amsler et al. Effects of thermal, elastic, and surface properties on the stability of SiC polytypes. Physical Review B, 106, 075201, (2022)
M. Meischein, A. Garzón-Manjón, T. Hammerschmidt et al. Elemental (im-)miscibility determines phase formation of multinary nanoparticles co-sputtered in ionic liquids. Nanoscale Advances, 4, 3855–3869, (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. Morales Cócera. Sampling equilibrium states in 2D Lennard-Jones systems with Boltzmann generators. Master Thesis, Ruhr-Universität Bochum, (2022)
D. Wingender, D. Balzani. Simulation of crack propagation through voxel-based, heterogeneous structures based on eigenerosion and finite cells. Computational Mechanics, 70, 385–406, (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)
M. Zar. FE simulation and surrogate modeling of soda-lime-silica glass glass bending process using the finite element method and Gaussian process regression. Master Thesis, Ruhr-Universität Bochum, (2022)
A. Shetty. Machine-learning based surrogate modeling of indentation. Master Thesis, Ruhr-Univerisität Bochum, (2022)
A. Durmaz, E. Natkowski, N. Arnaudov et al. Micromechanical fatigue experiments for validation of microstructure-sensitive fatigue simulation models. International Journal of Fatigue, 160, 106824, (2022)
A. Dash, A. Paul, S. Sen et al. Recent advances in understanding diffusion in multiprincipal element systems. Annual Review of Materials Research, 52, 383-409, (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)
R. Khachaturyan, A. Dimou, A. Grünebohm. Domain wall acceleration by ultrafast field application: an ab initio‐based molecular dynamics study. Physica status solidi (RRL) – Rapid Research Letters, 16, 2200038, (2022)
M. Bruns, F. Varnik. Enhanced dynamics in deep thermal cycling of a model glass. The Journal of Chemical Physics, 156, 234501, (2022)
V. Stieve, M. Blaszczyk, K. Hackl. Inverse modeling of cancellous bone using artificial neural networks. ZAMM - Journal of Applied Mathematics and Mechanics / Zeitschrift für Angewandte Mathematik und Mechanik, 102, 202100541, (2022)
J.-H. Kang, J. Park, K. Song et al. Microstructure analyses and phase-field simulation of partially divorced eutectic solidification in hypoeutectic Mg-Al alloys. Journal of Magnesium and Alloys, 10, 1672-1679, (2022)
C.-H. Xia, J. Kundin, I. Steinbach et al. Model for non-equilibrium vacancy diffusion applied to study the Kirkendall effect in high-entropy alloys. Acta Materialia, 232, 117966, (2022)
M. Joulaian. Pyiron workflow for first-principles field evaporation calculations with applications to bcc metals. Master Thesis, Ruhr-Universität Bochum, (2022)
H. Kulik, T. Hammerschmidt, J. Schmidt et al. Roadmap on machine learning in electronic structure. Electronic Structure, 4, 023004, (2022)
N. Athanasopoulos. Atomistically-informed crystal plasticity simulations of hydrogen embrittlement in ferrite. Master Thesis, Ruhr-Universität Bochum, (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)
A. Kunzmann, J. Frenzel, U. Wolff et al. The role of electrons during the martensitic phase transformation in NiTi-based shape memory alloys. Materials Today Physics, 24, 100671, (2022)
S. Starikov, D. Smirnova, T. Pradhan et al. Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system. Physical Review Materials, 6, 043604, (2022)
A. Obaied. Developing state of the art materials informatics methods for Calphad modeling of multicomponent materials. PhD Thesis, Ruhr-Universität Bochum, (2022)
F. Valiente Dies. Development of a machine learning model to reconstruct 3D microstructures from 2D cuts. Master Thesis, Ruhr-Universität Bochum, (2022)
M. Stricker, M. Ziemann, M. Walter et al. Dislocation structure analysis in the strain gradient of torsion loading: a comparison between modelling and experiment. Modelling and Simulation in Materials Science and Engineering, 30, 035007, (2022)
C. Wagner, A. Ferrari, J. Schreuer et al. Effects of Cr/Ni ratio on physical properties of Cr-Mn-Fe-Co-Ni high-entropy alloys. Acta Materialia, 227, 117693, (2022)
C. Anabaraonye. Ferroelectric composites: The impact of morphology on phase stability. Master Thesis, Ruhr-Universität, (2022)
H. Wang, K. Uhlmann, V. Vedula et al. Fluid-structure interaction simulation of tissue degradation and its effects on intra-aneurysm hemodynamics. Biomechanics and Modeling in Mechanobiology, 21, 671–683, (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)
H. Wang. Computational study of hemodynamic changes associated with morphology, deformability and degradation of blood vessels. PhD Thesis, Ruhr-Universität Bochum, Max-Planck-Institut für Eisenforschung, (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)
I. Gordeev, L. Kolotova, S. Starikov. Formation of metastable aluminum silicide as intermediate stage of Al-Si alloy crystallization. Scripta Materialia, 210, 114481, (2022)
M. M. Matsuo. Hybrid FEM-ML in open die forging process. Master Thesis, Ruhr-Universität Bochum, (2022)
U. Nwachukwu, A. Obaied, O. Horst et al. Microstructure property classiﬁcation of Nickel-based Superalloys using Deep Learning. Modelling and Simulation in Materials Science and Engineering, 30, 025009, (2022)
P. Thome, M. Schneider, V. Yardley et al. Crystallographic analysis of plate and lath martensite in Fe-Ni Alloys. Crystals, 12, 156, (2022)
A. Grünebohm, M. Marathe, R. Khachaturyan et al. Interplay of domain structure and phase transitions: theory, experiment and functionality. Journal of Physics: Condensed Matter, 34, 073002, (2022)
D. Zuo, Y. He, S. Avril et al. A thermodynamic framework for unified continuum models for the healing of damaged soft biological tissue. Journal of the Mechanics and Physics of Solids, 158, 104662, (2022)
T. Hammerschmidt, J. Rogal, E. Bitzek et al. Atomic-scale modeling of superalloys. Nickel base single crystals across length scales, 341-360, (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)
A. Bochkarev, Y. Lysogorskiy, S. Menon et al. Efficient parametrization of the atomic cluster expansion. Physical Review Materials, 6, 013804, (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)
V. Vardanyan. Molecular dynamics modeling of machining processes of composite materials. PhD Thesis, University of Kaiserslautern, (2022)
M. Bruns, F. Varnik. Rejuvenation in deep thermal cycling of a generic model glass: a study of per-particle energy distribution. Materials, 15, 829, (2022)
L. Heep, D. Bürger, C. Bonnekoh et al. The effect of deviations from precise [001] tensile direction on creep of Ni-base single crystal superalloys. Scripta Materialia, 207, 114274, (2022)
M. Schröter, H. C. Herper, A. Grünebohm. Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution. Journal of Physics D: Applied Physics, 55, 025002, (2022)