Open Access Publications of the Department Microstructure Physics and Alloy Design

Shanthraj, P.; Liu, C.; Akbarian, A.; Svendsen, B.; Raabe, D.: Multi-component chemo-mechanics based on transport relations for the chemical potential. Computer Methods in Applied Mechanics and Engineering 365, 113029 (2020)

Petrishcheva, E.; Tiede, L.; Schweinar, K.; Habler, G.; Li, C.; Gault, B.; Abart, R.: Spinodal decomposition in alkali feldspar studied by atom probe tomography. Physics and Chemistry of Minerals 47, 30 (2020)

Kühbach, M. T.; Roters, F.: Quantification of 3D spatial correlations between state variables and distances to the grain boundary network in full-field crystal plasticity spectral method simulations. Modelling and Simulation in Materials Science and Engineering 28, 055005 (2020)

Mianroodi, J. R.; Svendsen, B.: Effect of Twin Boundary Motion and Dislocation-Twin Interaction on Mechanical Behavior in Fcc Metals. Materials 13 (10), 2238 (2020)

Evertz, S.; Schnabel, V.; Köhler, M.; Kirchlechner, I.; Kontis, P.; Chen, Y.-T.; Soler, R.; Jaya, B. N.; Kirchlechner, C.; Mušić, D. et al.; Gault, B.; Gault, B.; Schneider, J. M.; Raabe, D.; Dehm, G.: Review on Quantum Mechanically Guided Design of Ultra-Strong Metallic Glasses. Frontiers in Materials 7 (89), pp. 1 - 12 (2020)

Peter, N. J.; Duarte, M. J.; Liebscher, C.; Srivastava, V. C.; Uhlenwinkel, V.; Jägle, E. A.; Dehm, G.: Early stage phase separation of AlCoCr_0.75Cu_0.5FeNi high-entropy powder at the nanoscale. Journal of Alloys and Compounds 820, 153149 (2020)

Sharma, L.; Peerlings, R. H. J.; Shanthraj, P.; Roters, F.; Geers, M. G. D.: An FFT-based spectral solver for interface decohesion modelling using a gradient damage approach. Computational Mechanics 65 (4), pp. 925 - 939 (2020)

Lim, J.; Kim, S.-H.; Aymerich Armengol, R.; Kasian, O.; Choi, P.-P.; Stephenson, L.; Gault, B.; Scheu, C.: Atomic‐Scale Mapping of Impurities in Partially Reduced Hollow TiO₂ Nanowires. Angewandte Chemie, International Edition in English 59 (14), pp. 5651 - 5655 (2020)

Zhao, H.; Huber, L.; Lu, W.; Peter, N. J.; An, D.; De Geuser, F.; Dehm, G.; Ponge, D.; Neugebauer, J.; Gault, B. et al.; Raabe, D.: Interplay of Chemistry and Faceting at Grain Boundaries in a Model Al Alloy. Physical Review Letters 124, 106102 (2020)

Wong, S. L.; Laptyeva, G.; Brüggemann, T.; Engler, O.; Roters, F.; Raabe, D.; Karhausen, K.-F.: Microchemistry-dependent simulation of yield stress and flow stress in non-heat treatable Al sheet alloys. Modelling and Simulation in Materials Science and Engineering 28 (3), 035010 (2020)

Yu, Y.; Zhou, C.; Zhang, S.; Zhu, M.; Wuttig, M.; Scheu, C.; Raabe, D.; Snyder, G. J.; Gault, B.; Cojocaru-Mirédin, O.: Revealing nano-chemistry at lattice defects in thermoelectric materials using atom probe tomography. Materials Today 32, pp. 260 - 274 (2020)

Fernández, M.; Rezaei, S.; Mianroodi, J. R.; Fritzen, F.; Reese, S.: Application of artificial neural networks for the prediction of interface mechanics: a study on grain boundary constitutive behavior. Advanced Modeling and Simulation in Engineering Sciences 7, 1 (2020)

Bajaj, P.; Hariharan, A.; Kini, A.; Kürnsteiner, P.; Raabe, D.; Jägle, E. A.: Steels in additive manufacturing: A review of their microstructure and properties. Materials Science and Engineering A: Structural Materials Properties Microstructure and Processing 772, 138633 (2020)

Wu, X.; Makineni, S. K.; Liebscher, C.; Dehm, G.; Mianroodi, J. R.; Shanthraj, P.; Svendsen, B.; Bürger, D.; Eggeler, G. F.; Raabe, D. et al.; Gault, B.; Gault, B.: Unveiling the Re effect in Ni-based single crystal superalloys. Nature Communications 11, 389 (2020)

Rivas, N. A.; Babayigit, A.; Conings, B.; Schwarz, T.; Sturm, A.; Garzón-Manjón, A.; Cojocaru-Mirédin, O.; Gault, B.; Renner, F. U.: Cryo-focused ion beam preparation of perovskite based solar cells for atom probe tomography. PLoS One, 0227920 (2020)

Evertz, S.; Kirchlechner, I.; Soler, R.; Kirchlechner, C.; Kontis, P.; Bednarcik, J.; Gault, B.; Dehm, G.; Raabe, D.; Schneider, J. M.: Electronic structure based design of thin film metallic glasses with superior fracture toughness. Materials and Design 186, 108327 (2020)

Balachandran, S.; Zachariah, Z.; Fischer, A.; Mayweg, D.; Wimmer, M. A.; Raabe, D.; Herbig, M.: Atomic Scale Origin of Metal Ion Release from Hip Implant Taper Junctions. Advanced Science, 1903008 (2020)

Diehl, M.; Wang, D.; Liu, C.; Mianroodi, J. R.; Han, F.; Ma, D.; Kok, P.; Roters, F.; Shanthraj, P.: Solving Material Mechanics and Multiphysics Problems of Metals with Complex Microstructures Using DAMASK—The Düsseldorf Advanced Material Simulation Kit. Advanced Engineering Materials 22 (3), 1901044 (2020)

Kim, S.-H.; Lim, J.; Sahu, R.; Kasian, O.; Stephenson, L.; Scheu, C.; Gault, B.: Direct Imaging of Dopant and Impurity Distributions in 2D MoS₂. Advanced Materials 32 (8), 1907235 (2020)

Palanisamy, D.; Semih, E.; Maccari, F.; Schäfer, L.; Skokov, K.; Gutfleisch, O.; Raabe, D.; Gault, B.: Grain boundary segregation, phase formation, and their influence on the coercivity of rapidly solidified. Physical Review Materials 4 (5), 054404 (2020)