The pages below display recent research activities at ICAMS. Follow the links to obtain further information about the individual topics and related bibliographic data.

Phase-field study of the history-effect of remelted microstructures on nucleation during additive manufacturing of Ni-based superalloys
M. Uddagiri, O. Shchyglo, I. Steinbach.

Coherency loss marking the onset of degradation in high temperature creep of superalloys: Phase-field simulation coupled to strain gradient crystal plasticity

Coherency loss marking the onset of degradation in high temperature creep of superalloys: Phase-field simulation coupled to strain gradient crystal plasticity
M. A. Ali, O. Shchyglo, M. A. Stricker, I. Steinbach, S. S. Ahmed.

Microstructure-sensitive crystal plasticity modeling for austenitic steel and nickel-based superalloy under isothermal fatigue loading
M. Shahmardani Firouzjah, A. Hartmaier.

Efficient prediction of grain boundary energies from atomistic simulations via sequential design
T. K. Schmalofski, R. Janisch.

Microstructure analyses and phase-field simulation of partially divorced eutectic solidification in hypoeutectic Mg-Al alloys
O. Shchyglo, I. Steinbach.

Unravelling the lamellar size-dependent fracture behavior of fully lamellar intermetallic γ -TiAl
A. Neogi, R. Janisch.

Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system
S. Starikov, D. Smirnova, T. Pradhan, R. Drautz, M. Mrovec.

Formation of metastable aluminum silicide as intermediate stage of Al-Si alloy crystallization
S. Starikov.

Numerical study of epitaxial growth after partial remelting during selective electron beam melting in the context of Ni–Al
H. J. Schaar, I. Steinbach, M. Tegeler.

Influence of crystal plasticity parameters on the strain hardening behavior of polycrystals
M. Shahmardani Firouzjah, N. Vajragupta, A. Hartmaier.

Constitutive modeling of cyclic plasticity at elevated temperatures for a nickel-based superalloy
M. Shahmardani Firouzjah, A. Hartmaier.

Automated free-energy calculation from atomistic simulations
S. Menon, Y. Lysogorskiy, J. Rogal, R. Drautz.

Optimized interatomic potential for atomistic simulation of Zr-Nb alloy
S. Starikov, D. Smirnova.

Design of a Co–Al–W–Ta alloy series with varying γ′ volume fraction and their thermophysical properties
S. G. Fries.

On the role of pre-existing defects in influencing hardness in nanoscale indentations — insights from atomistic simulations
A. Chauniyal, R. Janisch.

Modelling of microstructure formation in metal additive manufacturing: recent progress, research gaps and perspectives
I. Steinbach.

Theoretical investigation of the 70.5 mixed dislocations in body-centered cubic transition metals
T. Pradhan, R. Drautz, M. Mrovec.

Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations
M. Rinaldi, M. Mrovec, R. Drautz.

Twin-boundary assisted crack tip plasticity and toughening in lamellar γ -TiAl
A. Neogi, R. Janisch.

Automated image analysis for quantification of materials microstructure evolution
M. Ahmed, A. Obaied, I. Steinbach, I. Roslyakova.

Grain boundary energy landscape from the shape analysis of synthetically stabilized embedded grains
A. A. Schratt, I. Steinbach, V. Mohles.

Angular-dependent interatomic potential for large-scale atomistic simulation of iron: development and comprehensive comparison with existing interatomic models
S. Starikov, D. Smirnova, T. Pradhan, Y. Lysogorskiy, M. Mrovec, R. Drautz.

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon
Y. Lysogorskiy, A. Bochkarev, S. Menon, M. Rinaldi, T. Hammerschmidt, M. Mrovec, R. Drautz.