First principles study of point defect effects on iodine diffusion in zirconium
نویسندگان
چکیده
منابع مشابه
effects of first language on second language writing-a preliminary contrastive rhetoric study of farsi and english
to explore the idea the investingation proposed, aimed at finding whether the performances of the population of iranians students studying english in an efl context are consistent in l1 and l2 writing taks and whether there is a cross-linguistic transfer in this respect. in this regard the subjects were instructed to write four compositions-two in english and two in farsi-which consisted of an ...
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Although the favored glide planes in hexagonal close-packed Zr are prismatic, screw dislocations can escape their habit plane to glide in either pyramidal or basal planes. Using ab initio calculations within the nudged elastic band method, we show that, surprisingly, both events share the same thermally activated process with an unusual conservative motion of the prismatic stacking fault perpen...
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We have studied the role of defects on the magnetic properties of carbon materials using first-principles density functional methods. We show that, while the total magnetization decreases both for diamond and graphite with increase in vacancy density, the magnetization decreases more rapidly for graphitic structures. The presence of nitrogen nearby a vacancy is shown to produce larger macroscop...
متن کاملEffects of Li doping on H-diffusion in MgH2: A first-principles study
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ژورنال
عنوان ژورنال: Nuclear Materials and Energy
سال: 2018
ISSN: 2352-1791
DOI: 10.1016/j.nme.2018.07.006