Publications of the Atomistic Modelling GroupThis list consists only of publications since the formation of the group "Atomistic Modelling of Material Interfaces". If you click on an author's name, you will be directed to the authors complete MPS publication list.

Publications of Pratheek Shanthraj

Journal Article (34)

1.
Journal Article
Mianroodi, J. R.; Shanthraj, P.; Kwiatkowski da Silva, A.; Svendsen, B.; Raabe, D.: Combined modeling and experimental characterization of Mn segregation and spinodal decomposition along dislocation lines in Fe–Mn alloys. Acta Materialia 251, 118873 (2023)
2.
Journal Article
Mianroodi, J. R.; Shanthraj, P.; Liu, C.; Vakili, S.; Roongta, S.; Hamidi Siboni, N.; Perchikov, N.; Bai, Y.; Svendsen, B.; Roters, F. et al.; Raabe, D.; Diehl, M.: Modeling and simulation of microstructure in metallic systems based on multi-physics approaches. npj Computational Materials 8, 93 (2022)
3.
Journal Article
Liu, C.; Davis , A.; Fellowes, J.; Prangnell, P.; Raabe, D.; Shanthraj, P.: CALPHAD-informed phase-field model for two-sublattice phases based on chemical potentials: η-phase precipitation in Al–Zn–Mg–Cu alloys. Acta Materialia 226, 117602 (2022)
4.
Journal Article
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)
5.
Journal Article
Zhou, X.; Mianroodi, J. R.; Kwiatkowski da Silva, A.; Koenig, T.; Thompson, G. B.; Shanthraj, P.; Ponge, D.; Gault, B.; Svendsen, B.; Raabe, D.: The hidden structure dependence of the chemical life of dislocations. Science Advances 7 (16), eabf0563 (2021)
6.
Journal Article
Mianroodi, J. R.; Shanthraj, P.; Svendsen, B.; Raabe, D.: Phase-field modeling of chemoelastic binodal/spinodal relations and solute segregation to defects in binary alloys. Materials 14 (7), 1787 (2021)
7.
Journal Article
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)
8.
Journal Article
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)
9.
Journal Article
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)
10.
Journal Article
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)
11.
Journal Article
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.: Unveiling the Re effect in Ni-based single crystal superalloys. Nature Communications 11, 389 (2020)
12.
Journal Article
Liu, C.; Shanthraj, P.; Robson, J. D.; Diehl, M.; Dong, S.; Dong, J.; Ding, W.; Raabe, D.: On the interaction of precipitates and tensile twins in magnesium alloys. Acta Materialia 178, pp. 146 - 162 (2019)
13.
Journal Article
Lahiri, A.; Shanthraj, P.; Roters, F.: Understanding the mechanisms of electroplasticity from a crystal plasticity perspective. Modelling and Simulation in Materials Science and Engineering 27, 085006 (2019)
14.
Journal Article
Mianroodi, J. R.; Shanthraj, P.; Kontis, P.; Cormier, J.; Gault, B.; Svendsen, B.; Raabe, D.: Atomistic phase field chemomechanical modeling of dislocation-solute-precipitate interaction in Ni–Al–Co. Acta Materialia 175, pp. 250 - 261 (2019)
15.
Journal Article
Roters, F.; Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Reuber, J. C.; Wong, S. L.; Maiti, T.; Ebrahimi, A.; Hochrainer, T.; Fabritius, H.-O. et al.; Nikolov, S. D.; Friák, M.; Fujita, N.; Grilli, N.; Janssens, K. G.F.; Jia, N.; Kok, P.; Ma, D.; Meier, F.; Werner, E.; Stricker, M.; Weygand, D. M.; Raabe, D.: DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale. Computational Materials Science 158, pp. 420 - 478 (2019)
16.
Journal Article
Wang, D.; Shanthraj, P.; Springer, H.; Raabe, D.: Particle-induced damage in Fe–TiB2 high stiffness metal matrix composite steels. Materials and Design 160, pp. 557 - 571 (2018)
17.
Journal Article
Kamachali, R. D.; Schwarze, C.; Lin, M.; Diehl, M.; Shanthraj, P.; Prahl, U.; Steinbach, I.; Raabe, D.: Numerical Benchmark of Phase-Field Simulations with Elastic Strains: Precipitation in the Presence of Chemo-Mechanical Coupling. Computational Materials Science 155, pp. 541 - 553 (2018)
18.
Journal Article
Sharma, L.; Peerlings, R. H. J.; Shanthraj, P.; Roters, F.; Geers, M. G. D.: FFT-based interface decohesion modelling by a nonlocal interphase. Advanced Modeling and Simulation in Engineering Sciences 5 (1), 7 (2018)
19.
Journal Article
Liu, C.; Shanthraj, P.; Diehl, M.; Roters, F.; Dong, S.; Dong, J.; Ding, W.; Raabe, D.: An integrated crystal plasticity–phase field model for spatially resolved twin nucleation, propagation, and growth in hexagonal materials. International Journal of Plasticity 106, pp. 203 - 227 (2018)
20.
Journal Article
Hüter, C.; Shanthraj, P.; McEniry, E.; Spatschek, R. P.; Hickel, T.; Tehranchi, A.; Guo, X.; Roters, F.: Multiscale Modelling of Hydrogen Transport and Segregation in Polycrystalline Steels. Metals 8 (6), 430, pp. 1 - 16 (2018)
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