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Using molecular dynamics simulations with recent interatomic potentials developed for Fe, we have studied the defects in thin films of pure bcc Fe induced by the displacement cascade produced by Fe atoms of 50, 100, and 150 keV impinging under a channeling ...
The effect of He on the primary damage induced by irradiation in ultrahigh-purity (UHP) Fe and Fe(Cr) alloys was investigated by transmission electron microscopy (TEM). Materials were irradiated at room temperature in situ by TEM in a microscope coupled to ...
Using hybrid density functional calculations, we investigate possible origins for the large variation of band offsets measured at Ge/GeO2 interfaces. We consider atomistic model interfaces with both amorphous and crystalline oxides, in which the bond densi ...
Undoped hydrogenated amorphous silicon layers deposited at different values of very high frequency (VHF) powers and silane to hydrogen dilution ratios possess various types of microstructures. Transport and defect measurements on layers suggest that struct ...
Hybrid density functional calculations and atomistic models are used to study point defects in III-V compounds. We first study dangling-bonds in InxGa1-xAs. In GaAs, the cation dangling-bond levels are found in the upper part of the band gap, but they are ...
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 ...
We propose a method within density functional theory for aligning defect energy levels at interfaces without relying on experimental data. We apply our scheme to the alignment of charge transition levels of the interstitial hydrogen and the hydrogen bridge ...
In situ electron microscope observations of defects show that the incident high-energy electrons influence the evolution of microstructure of an irradiated material, reducing the number of defects seen in the field of view of the microscope. We investigate ...
Ferritic/martensitic steels considered as first-wall candidate materials for fusion reactors experience significant radiation hardening at temperatures below similar to400 degreesC. Experimental evidence suggests that the observed defects are large interst ...
