Open Access Publications

Xia, W.; Dehm, G.; Brinckmann, S.: Investigation of single asperity wear at the microscale in an austenitic steel. WEAR 452–453, 203289 (2020)

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)

Kumar Saxena, A.; Brinckmann, S.; Völker, B.; Dehm, G.; Kirchlechner, C.: Experimental conditions affecting the measured fracture toughness at the microscale: Notch geometry and crack extension measurement. Materials and Design 191, 108582 (2020)

da Silva, G. C.; Venturini, S. I.; Zhang, S.; Löffler, M.; Scheu, C.; Mayrhofer, K. J. J.; Ticianelli, E. A.; Cherevko, S.: Oxygen Evolution Reaction on Tin Oxides Supported Iridium Catalysts: Do We Need Dopants? ChemElectroChem 7 (10), pp. 2330 - 2339 (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)

Mendive-Tapia, E.; Paudyal, D.; Petit, L.; Staunton, J. B.: First-order ferromagnetic transitions of lanthanide local moments in divalent compounds: An itinerant electron positive feedback mechanism and Fermi surface topological change. Physical Review B 101 (17), 174437 (2020)

Zhu, L.-F.; Körmann, F.; Körmann, F.; Ruban, A. V.; Neugebauer, J.; Grabowski, B.: Performance of the standard exchange-correlation functionals in predicting melting properties fully from first principles: Application to Al and magnetic Ni. Physical Review B 101 (14), 144108 (2020)

Ashton, M. W.; Mishra, A.; Neugebauer, J.; Freysoldt, C.: Ab initio Description of Bond-Breaking in Large Electric Fields. Physical Review Letters 124 (17), 176801 (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)

Xia, W.; Dehm, G.; Brinckmann, S.: Insight into indentation-induced plastic flow in austenitic stainless steel. Journal of Materials Science 55, pp. 9095 - 9108 (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)

Wu, X.; Li, Z.; Rao, Z.; Ikeda, Y.; Dutta, B.; Körmann, F.; Neugebauer, J.; Raabe, D.: Role of magnetic ordering for the design of quinary TWIP-TRIP high entropy alloys. Physical Review Materials 4 (3), 033601 (2020)

Dutta, B.; Körmann, F.; Ghosh, S.; Sanyal, B.; Neugebauer, J.; Hickel, T.: Phonons in magnetically disordered materials: Magnetic versus phononic time scales. Physical Review B 101 (9), 094201 (2020)

Sözen, H. I.; Hickel, T.; Neugebauer, J.: Impact of magnetism on the phase stability of rare-earth based hard magnetic materials. Calphad 68, 101731 (2020)

Ishibashi, S.; Ikeda, Y.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Correlation analysis of strongly fluctuating atomic volumes, charges, and stresses in body-centered cubic refractory high-entropy alloys. Physical Review Materials 4 (2), 023608 (2020)