Publications

Kühbach, M. T.; Bajaj, P.; Zhao, H.; Çelik, M. H.; Jägle, E. A.; Gault, B.: On strong-scaling and open-source tools for analyzing atom probe tomography data. npj Computational Materials 7 (1), 21 (2021)

Liu, C.; Garner, A.; Zhao, H.; Prangnell, P.; Gault, B.; Raabe, D.; Shanthraj, P.: CALPHAD-informed phase-field modeling of grain boundary microchemistry and precipitation in Al-Zn-Mg-Cu alloys. Acta Materialia 214, 116966 (2021)

Yilmaz, A.; Traka, K.; Pletincx, S.; Hauffman, T.; Sietsma, J.; Gonzalez-Garcia, Y.: Effect of microstructural defects on passive layer properties of interstitial free (IF) ferritic steels in alkaline environment. Corrosion Science 182, 109271 (2021)

Sharma, L.; Peerlings, R. H. J.; Geers, M. G. D.; Roters, F.: Integral nonlocal approach to model interface decohesion in FFT solvers. Engineering Fracture Mechanics 243, 107516 (2021)

Gallardo-Basile, F.-J.; Naunheim, Y.; Roters, F.; Diehl, M.: Lath Martensite Microstructure Modeling: A High-Resolution Crystal Plasticity Simulation Study. Materials, Special Issue "Micromechanics: Experiment, Modeling and Theory" 14 (3), pp. 691 - 709 (2021)

Garner, A.; Euesden, R.; Yao, Y.; Aboura, Y.; Zhao, H.; Donoghue, J.; Curioni, M.; Gault, B.; Shanthraj, P.; Barrett, Z. et al.; Engel, C.; Burnett, T. L.; Prangnell, P.: Multiscale analysis of grain boundary microstructure in high strength 7xxx Al alloys. Acta Materialia 202, pp. 190 - 210 (2021)

Kamachali, R. D.; Kwiatkowski da Silva, A.; McEniry, E.; Ponge, D.; Gault, B.; Neugebauer, J.; Raabe, D.: Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries. npj Computational Materials 6, 191 (2020)

Sedighiani, K.; Diehl, M.; Traka, K.; Roters, A.; Sietsma, J.; Raabe, D.: An efficient and robust approach to determine material parameters of crystal plasticity constitutive laws from macro-scale stress-strain curves. International Journal of Plasticity 134, 102779 (2020)

Kasemer, M.; Falkinger, G.; Roters, F.: A numerical study of the influence of crystal plasticity modeling parameters on the plastic anisotropy of rolled aluminum sheet. Modelling and Simulation in Materials Science and Engineering 28 (8), 085005 (2020)

Raabe, D.; Sun, B.; Kwiatkowski da Silva, A.; Gault, B.; Yen, H.-W.; Sedighiani, K.; Thoudden Sukumar, P.; Souza Filho, I. R.; Katnagallu, S.; Jägle, E. A. et al.; Kürnsteiner, P.; Kusampudi, N.; Stephenson, L.; Herbig, M.; Liebscher, C.; Springer, H.; Zaefferer, S.; Shah, V.; Wong, S. L.; Baron, C.; Diehl, M.; Roters, F.; Ponge, D.: Current Challenges and Opportunities in Microstructure-Related Properties of Advanced High-Strength Steels. Metallurgical and Materials Transactions A 50th Anniversary Collection 51, pp. 5517 - 5586 (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)

Xu, S.; Mianroodi, J. R.; Hunter, A. G. M.; Svendsen, B.; Beyerlein, I. J.: Comparative modeling of the disregistry and Peierls stress for dissociated edge and screw dislocations in Al. International Journal of Plasticity 129, 102689 (2020)

Li, L.; Kamachali, R. D.; Li, Z.; Zhang, Z.: Grain boundary energy effect on grain boundary segregation in an equiatomic high-entropy alloy. Physical Review Materials 4, 053603 (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)

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)

Han, F.; Diehl, M.; Roters, F.; Raabe, D.: Using spectral-based representative volume element crystal plasticity simulations to predict yield surface evolution during large scale forming simulations. Journal of Materials Processing Technology 277, 116449 (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)

Motaman, S. A. H.; Roters, F.; Haase, C.: Anisotropic polycrystal plasticity due to microstructural heterogeneity: A multi-scale experimental and numerical study on additively manufactured metallic materials. Acta Materialia 185, pp. 340 - 369 (2020)

Han, F.; Roters, F.; Raabe, D.: Microstructure-based multiscale modeling of large strain plastic deformation by coupling a full-field crystal plasticity-spectral solver with an implicit finite element solver. International Journal of Plasticity 125, pp. 97 - 117 (2020)