Ektarawong, A.; Simak, S. I.; Alling, B.: Structural models of increasing complexity for icosahedral boron carbide with compositions throughout the single-phase region from first principles. Physical Review B 97 (17), 174104 (2018)
Ektarawong, A.; Simak, S. I.; Alling, B.: First-principles prediction of stabilities and instabilities of compounds and alloys in the ternary B-As-P system. Physical Review B 96 (2), 024202 (2017)
Ektarawong, A.; Simak, S. I.; Alling, B.: Thermodynamic stability and properties of boron subnitrides from first principles. Physical Review B 95 (6), 064206 (2017)
Ektarawong, A.; Simak, S. I.; Alling, B.: Carbon-rich icosahedral boron carbides beyond B4 C and their thermodynamic stabilities at high temperature and pressure from first principles. Physical Review B 94 (5), 054104 (2016)
Ektarawong, A.; Simak, S. I.; Hultman, L.; Birch, J.; Tasnádi, F.; Wang, F.; Alling, B.: Effects of configurational disorder on the elastic properties of icosahedral boron-rich alloys based on B6O, B13C2, and B4C, and their mixing thermodynamics. The Journal of Chemical Physics 144 (13), 134503 (2016)
International researcher team presents a novel microstructure design strategy for lean medium-manganese steels with optimized properties in the journal Science
The goal of this project is the investigation of interplay between the atomic-scale chemistry and the strain rate in affecting the deformation response of Zr-based BMGs. Of special interest are the shear transformation zone nucleation in the elastic regime and the shear band propagation in the plastic regime of BMGs.
In this project we developed a phase-field model capable of describing multi-component and multi-sublattice ordered phases, by directly incorporating the compound energy CALPHAD formalism based on chemical potentials. We investigated the complex compositional pathway for the formation of the η-phase in Al-Zn-Mg-Cu alloys during commercial…
Hydrogen embrittlement (HE) of steel is a great challenge in engineering applications. However, the HE mechanisms are not fully understood. Conventional studies of HE are mostly based on post mortem observations of the microstructure evolution and those results can be misleading due to intermediate H diffusion. Therefore, experiments with a…
This project aims to investigate the influence of grain boundaries on mechanical behavior at ultra-high strain rates and low temperatures. For this micropillar compressions on copper bi-crystals containing different grain boundaries will be performed.