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Crack onset strain measurements of a confined layer in tension provide the means for layer toughness estimation. The procedure can be simplified if steady-state conditions prevail starting from the commencement of crack propagation, an assumption frequentl ...
Microcrystalline growth regimes and solar cells obtained in different pressure and silane depletion conditions are studied in a large area KAI-S plasma reactor. The microcrystalline material quality is systematically investigated by Fourier Transform Photo ...
A large number of characterization tools for semiconductor based heterostructures are available nowadays. Most of these techniques deliver high temporal resolution (down to hundreds of femtoseconds) or good spatial resolution (down to sub nanometer resolut ...
Ferritic/martensitic (F/M) steels show good resistance to swelling and low damage accumulation upon irradiation relative to stainless steels. 0.3 wt% yttria particles were added to the F/M steel EUROFER 97 to produce oxide dispersion strengthened (ODS) ste ...
Positively charged defects induced by protons at the Si(100)-SiO2 interface are studied through density-functional calculations and realistic interface models. Protons generally preserve the bonding network, but cause the spontaneous breaking of strained b ...
We investigate the structure and mobility of single self-interstitial atom and vacancy defects in body-centered-cubic transition metals forming groups 5B (vanadium, niobium, and tantalum) and 6B (chromium, molybdenum, and tungsten) of the Periodic Table. D ...
We compare defect energy levels of point defects in alpha-quartz using density functionals of different accuracy: a standard generalized-gradient-approximation functional and a hybrid functional. The latter is known to improve the description of band gaps ...
We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the magnetism due to the defect-induced extended sta ...
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first-principles molecular dynamics, we perform a systematic study of the none ...
We study from first principles the magnetism in graphene induced by single carbon atom defects. For two types of defects considered in our study, the hydrogen chemisorption defect and the vacancy defect, the itinerant magnetism due to the defect-induced ex ...