There is a strong need in the power electronics community to have design tools capable of performing simultaneous simulations in different domains, e.g. electric, magnetic, dielectric and thermal. Therefore, this paper presents an approach to the calculati ...
Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...
The thesis describes a simple approach for N-formylation of amines with CO2 and hydrosilane reducing agents, the use of organic salts as N-formylation catalysts, their physical properties required for high catalytic activity and their role in the catalytic ...
Atomistic simulations are a powerful complement to experimental probes for understanding the nanoscale processes associated with the effects of hydrogen (H) on plasticity and fracture that are the underlying causes of hydrogen embrittlement (HE). Current e ...
Due to the local pulsating/transient nature and complex thermal-hydraulic coupling of a closed loop pulsating heat pipe (CLPHP), there is a need to develop an effective simulation code capable to design and predict the local and overall thermal performance ...
We conduct a detailed investigation of defects in two representative amorphous oxides: amorphous Al2O3 (am-Al2O3) and TiO2 (am-TiO2), by combining ab initio molecular dynamics (MD) simulations and hybrid functional calculations. Our results indicate that o ...
