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2018
R. Darvishi Kamachali, C. Schwarze, M. Lin et al. Numerical benchmark of phase-field simulations with elastic strains: Precipitation in the presence of chemo-mechanical coupling. Computational Materials Science, 155, 541-553, (2018)
H. Ganesan, C. Teijeiro Barjas, G. Sutmann. Parallelization comparison and optimization of a scale-bridging framework to model Cottrell atmospheres. Computational Materials Science, 155, 439-449, (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. Katnagallu, B. Gault, B. Grabowski et al. Advanced data mining in field ion microscopy. Materials Characterization, 146, 307-318, (2018)
M. Vaidya, G. M. Muralikrishna, S. Divinski et al. Experimental assessment of the thermodynamic factor for diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys. Scripta Materialia, 157, 81-85, (2018)
M. Grabowski, J. Rogal, R. Drautz. Kinetic Monte Carlo simulations of vacancy diffusion in nondilute Ni-X (X = Re, W, Ta) alloys. Physical Review Materials, 2, 123403, (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)
H. Salama. Orientation distribution of grain boundary in a multigrain structure with anisotropic interface energy. Master thesis, (2018)
X. Zhang, B. Grabowski, F. Körmann et al. Temperature dependence of the stacking-fault Gibbs energy for Al, Cu, and Ni. Physical Review B, 98, 224106, (2018)
A. G. Kiiamov, Y. Lysogorskiy, F. G. Vagizov et al. Vibrational properties and magnetic specific heat of the covalent chain antiferromagnet RbFeSe2. Physical Review B, 98, 214411, (2018)
A. Obaied. Application of machine learning for thermo-physical properties of transition metals. Master thesis, (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)
K. Gillner, S. Becker, K. Lang et al. A method to numerically predict the loading ratio dependency of long crack propagation rates under cyclic loading. International Journal of Fatigue, 116, 234-244, (2018)
Setareh Medghalchi. Advanced characterization of dendritic microstructures in Ni-base superalloys using EBSD, serial sectioning and new image processing techniques. (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)
N. Dupin, U. Kattner, B. Sundman et al. Implementation of an effective bond energy formalism in the multicomponent Calphad approach. Journal of Research of National Institute of Standards and Technology, 123, 123020, (2018)
R. Halver, W. Homberg, G. Sutmann. Benchmarking molecular dynamics with OpenCL on many-core architectures. Parallel Processing and Applied Mathematics, 10778, 244-253, (2018)
J. Jenke, A. Subramanyam, M. Densow et al. Electronic structure based descriptor for characterizing local atomic environments. Physical Review B, 98, 144102, (2018)
M. Hassani, E. Mahmoudinezhad Zirdehi, K. Krok et al. Long-range strain correlations in 3D quiescent glass forming liquids. Europhysics Letters, 124, 18003, (2018)
G. Díaz Leines, J. Rogal. Maximum likelihood analysis of reaction coordinates during solidification in Ni. The Journal of Physical Chemistry B, 122, 10934-10942, (2018)
H. Hassan, K. Govind, A. Hartmaier. Micromechanical modelling of coupled crystal plasticity and hydrogen diffusion. Philosophical Magazine, 99, 92-115, (2018)
J. Görler. Phase-field simulation of microstructure evolution coupled to plastic deformation: Application to Ni-base superalloys and low carbon steel. (2018)
D. Gaertner, J. Kottke, G. Wilde et al. Tracer diffusion in single crystalline CoCrFeNi and CoCrFeMnNi high entropy alloys. Journal of Materials Research, 33, 3184-3191, (2018)
J. Lian, F. Shen, X. Jia et al. An evolving non-associated Hill48 plasticity model accounting for anisotropic hardening and r-value evolution and its application to forming limit prediction. International Journal of Solids and Structures, 151, 20-44, (2018)
T. Li, D. Kent, G. Sha et al. Nucleation driving force for ω-assisted formation of α and associated ω morphology in β-Ti alloys. Scripta Materialia, 155, 149-154, (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)
B. Ruttert, O. Horst, I. Lopez-Galilea et al. Rejuvenation of single-crystal Ni-base superalloy turbine blades: Unlimited service life?. Metallurgical and Materials Transactions A, 49, 4262–4273, (2018)
Y. Jiang, S. Zomorodpoosh, I. Roslyakova et al. Thermodynamic re-assessment of binary Cr-Nb system down to 0 K. CALPHAD, 62, 109-118, (2018)
N. Volz, C. H. Zenk, R. Cherukuri et al. Thermophysical and mechanical properties of advanced single crystalline Co-base superalloys. Metallurgical and Materials Transactions A, 49, 4099–4109, (2018)
J. Möller, M. Mrovec, I. Bleskov et al. {110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials, 2, 093606, (2018)
C. Gu, Y. Bao, P. Gan et al. An experimental study on the impact of deoxidation methods on the fatigue properties of bearing steels. Steel Research International, 89, 1800129, (2018)
I. Stockem, A. Bergman, A. Glensk et al. Anomalous phonon lifetime shortening in paramagnetic CrN caused by spin-lattice coupling: A combined spin and ab initio molecular dynamics study. Physical Review Letters, 121, 125902, (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)
D. Smirnova, S. Starikov, A. Vlasova. New interatomic potential for simulation of pure magnesium and magnesium hydrides. Computational Materials Science, 154, 295-302, (2018)
S. Starikov, M. Korneva. Description of phase transitions through accumulation of point defects: UN, UO₂ and UC. Journal of Nuclear Materials, 510, 373-381, (2018)
Y. Ikeda, F. Körmann, I. Tanaka et al. Impact of chemical fluctuations on Stacking-Fault energies of CrCoNi and CrMnFeCoNi high-entropy alloys from first principles. Entropy, 20, 655, (2018)
S. Divinski, A. Pokoev, N. Esakkiraja et al. A mystery of sluggish diffusion in high-entropy alloys: The truth or a myth?. Diffusion Foundations, 17, 69-104, (2018)
G. Diyoke. Effect of gravity on dendritic solidification kinetics of binary Al-Mg alloy. Master Thesis, Ruhr-Universität Bochum, (2018)
J. Kundin, R. Schiedung, H. Sohaib et al. Phase-field modeling of pores and precipitates in polycrystalline systems. Modelling and Simulation in Materials Science and Engineering, 26, 065003, (2018)
H. Sohaib. The study of the effect of porosity on the grain growth in polycrystalline ceramic fibers. Master Thesis, Ruhr-Universität Bochum, (2018)
Z. Xu, Z. He, Y. Song et al. Topic Review: Application of Raman spectroscopy characterization in micro/nano-machining. Micromechanics, 2018, 361, (2018)
A. Ferrari, A. Paulsen, J. Frenzel et al. Unusual composition dependence of transformation temperatures in Ti-Ta-X shape memory alloys. Physical Review Materials, 2, 073609, (2018)
A. Gupta, V. Kulitcki, B. T. Kavakbasi et al. Non-monotonic effect of precipitation on grain boundary diffusion in Al-based alloys. Physical Review Materials, 2, 073801, (2018)
A. Gupta, V. Kulitcki, B. Kavakbasi et al. Precipitate-induced nonlinearities of diffusion along grain boundaries in Al-based alloys. Physical Review Materials, 2, 073801, (2018)
K. Gillner, M. Henrich, S. Münstermann. Numerical study of inclusion parameters and their influence on fatigue lifetime. International Journal of Fatigue, 111, 70-80, (2018)
X. Zhang, B. Grabowski, T. Hickel et al. Calculating free energies of point defects from ab initio. Computational Materials Science, 148, 249-259, (2018)
C. Hüter, P. Shanthraj, E. McEniry et al. Multiscale modelling of hydrogen transport and segregation in polycrystalline steels. Metals, 8, 430, (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)
B. Weise, B. Dutta, N. Teichert et al. Role of disorder when upscaling magnetocaloric Ni-Co-Mn-Al Heusler alloys from thin films to ribbons. Scientific Reports, 8, 9147, (2018)
Y. Gong, B. Grabowski, A. Glensk et al. Temperature dependence of the Gibbs energy of vacancy formation of fcc Ni. Physical Review B, 97, 214106, (2018)
C. Schwarze, R. Darvishi Kamachali, C. Mießen et al. Computationally efficient phase-field simulation studies using RVE sampling and statistical analysis. Computational Materials Science, 147, 204-216, (2018)
D. Smirnova, S. Starikov, I. S. Gordeev . Evaluation of the structure and properties for the high-temperature phase of zirconium from the atomistic simulations. Computational Materials Science, 152, 51–59, (2018)
M. Ali. High temperature creep in Ni-based superalloys. Master Thesis, Ruhr-Universität Bochum, (2018)
S. Makarov, L. Kolotova, S. Starikov et al. Resonant silicon nanoparticles with controllable crystalline states and nonlinear optical responses. Nanoscale, 10, 11403–11409, (2018)
M. Gross, F. Varnik. Shear-density coupling for a compressible single-component yield-stress fluid. Soft Matter, 14, 4577-4590, (2018)
M. Radek, J.-G. Tenberge, S. Hilke et al. STEMcl–A multi-GPU multislice algorithm for simulation of large structure and imaging parameter series. Ultramicroscopy, 188, 24-30, (2018)
R. Cherukuri. Study of thermodynamic and mechanical properties relationship using first-principles CALPHAD amd experimental data for Ni 3%X, X=Re, W, Ru alloys. Master Thesis, Ruhr-Universität Bochum, (2018)
E. Ghobadi, A. Marquardt, E. Mahmoudinezhad Zirdehi et al. The influence of water and solvent uptake on functional properties of shape-memory polymers. International Journal of Polymer Science, 2018, 7819353, (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)
E. McEniry, T. Hickel, J. Neugebauer. Ab initio simulation of hydrogen-induced decohesion in cementite-containing microstructures. Acta Materialia, 150, 53-58, (2018)
A. Waske, B. Dutta, N. Teichert et al. Coupling phenomena in magnetocaloric materials. Energy Technology, 6, 1429-1447, (2018)
C. Richter, U. Krupp, M. Zeißig. Ein validiertes Auslegungsverfahren gegen Reibermüdung unter Berücksichtigung plastischer Effekte Teil 1: Versuch und Berechnung. Konstruktion, 5, 83-89, (2018)
F. Emeis, M. Peterlechner, S. Divinski et al. Grain boundary engineering parameters for ultrafine grained microstructures: Proof of principles by a systematic composition variation in Cu-Ni system. Acta Materialia, 150, 262-272, (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)
S. Kirsch, F. Welsch, N. Michaelis et al. NiTi-based elastocaloric cooling on the macroscale: From basic concepts to realization. Energy Technology, 6, 1567-1587, (2018)
A. Katre, J. Carrete, T. Wang et al. Phonon transport unveils the prevalent point defects in GaN. Physical Review Materials, 2, 050602, (2018)
E. Ghobadi, A. Marquardt, E. Zirdehi et al. The influence of water and solvent uptake on functional properties of shape-memory polymers. International Journal of Polymer Science, 2018, 7819353, (2018)
R. Halver, W. Homberg, G. Sutmann. Function portability of molecular dynamics on heterogeneous parallel architectures with OpenCL. The journal of supercomputing, 74, 1522-1533, (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)
J. Frenzel, G. Eggeler, E. Quandt et al. High-performance elastocaloric materials for the engineering of bulk- and micro-cooling devices. Materials Research Society, 43, 280-284, (2018)
R. Hadian, B. Grabowski, M. Finnis et al. Migration mechanisms of a faceted grain boundary. Physical Review Materials, 2, 043601, (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)
V.I. Razumovskiy, S. Divinski, L. Romaner. Solute segregation in Cu: DFT vs. experiment. Acta Materialia, 147, 122-132, (2018)
S. Noori. Effect of Si on pearlite transformation in steel. Master Thesis, Ruhr-Universität Bochum, (2018)
J. Albina, A. Marusczyk, T. Hammerschmidt et al. Finite-temperature property-maps of Li-Mn-Ni-O cathode materials from ab initio calculations. Journal of Materials Chemistry A, 6, 5687-5694, (2018)
M. Tian. Microstructural and mechanical investigation of a selective electron beam melted in single crystal Ni-base superalloy. Master Thesis, Ruhr-Universität Bochum, (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)
M. Vaidya, K. G. Pradeep, B. S. Murty et al. Bulk tracer diffusion in CoCrFeNi and CoCrFeMnNi high entropy alloys. Acta Materialia, 146, 211-224, (2018)
J. Tenkamp, A. Koch, S. Knorrre et al. Defect-correlated fatigue assessment of A356-T6 aluminum cast alloy using computed tomography based Kitagawa-Takahashi diagrams. International Journal of Fatigue, 108, 25-34, (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)
D. Edström, D. Sangiovanni, L. Hultman et al. Elastic properties and plastic deformation of TiC- and VC-based pseudobinary alloys. Acta Materialia, 144, 376-385, (2018)
Z. Zhang, J. Cui, B. Wang et al. In situ TEM observation of rebonding on fractured silicon carbide. Nanoscale, 10, 6261-6269, (2018)
U. Krupp, K. Jahns, K. Balinski et al. Numerical analysis of diffusion-controlled internal corrosion by the cellular automata approach. Defect and Diffusion Forum, 383, 51-58, (2018)
B. Dutta, F. Körmann, T. Hickel et al. Impact of Co and Fe doping on the martensitic transformation and the magnetic properties in Ni-Mn-based Heusler alloys. Physica Status Solidi b, 255, 1700455, (2018)
Y. Ikeda, F. Körmann, B. Dutta et al. Temperature-dependent phonon spectra of magnetic random solid solutions. Computational Materials, 4, 7, (2018)
C. Liebscher, M. Yao, P. Dey et al. Tetragonal fcc-Fe induced by kappa-carbide precipitates: Atomic scale insights from correlative electron microscopy, atom probe tomography, and density functional theory. Physiacal Review Materials, 2, 023804, (2018)
M. Rajendran. γ − γ ′ Microstructure Evolution in Single Crystal (SX) Ni-base superalloys. PhD Thesis, Ruhr-Universität Bochum, (2018)
M. Almodallaleh. Anwendungen von automatisierter Datenverarbeitung auf Doppelscherversuche von Nickelbasissuperlegierung. (2018)
D. Sangiovanni, A. B. Mei, D. Edström et al. Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands. Physical Review B, 97, 035406, (2018)
J. Wang, G. Madsen, R. Drautz. Grain boundaries in bcc-Fe: A density-functional theory and tight-binding study. Modelling and simulation in materials science and engineering, 26, 025008, (2018)
R. Schiedung, I. Steinbach, F. Varnik. Multi-phase-field method for surface tension induced elasticity. Physical Review B, 97, 035410, (2018)
T. Waurischk, M. Söker, A. Giertler et al. Slip band formation and crack initiation during very high cycle fatigue of duplex stainless steel – part 1: Mechanical testing and microstructural investigations. Fatigue of materials at very high numbers of loading cycles, 95-110, (2018)