منابع مشابه
COMPUTATIONAL ENUMERATION OF POINT DEFECT CLUSTERS IN DOUBLE- LATTICE CRYSTALS
The cluster representation matrices have already been successfully used to enumerate close-packed vacancy clusters in all single-lattice crystals [I, 2]. Point defect clusters in double-lattice crystals may have identical geometry but are distinct due to unique atomic postions enclosing them. The method of representation matrices is extended to make it applicable to represent and enumerate ...
متن کاملγ-α isostructural transition in cerium.
We present zero-temperature first-principles calculations of elemental cerium and we compute its pressure-volume phase diagram within a theoretical framework able to describe simultaneously both the α and the γ phases. A surprising result revealed by our study is the presence of a clear signature of the transition at zero temperature and that this signature can be observed if and only if the sp...
متن کاملCombination Therapy with Losartan and α-Tocopherol in Acute Ureteral Obstruction-Induced Renal Excretory Dysfunction and Acidification Defect
Background: Previous study by the authors showed that a-tocopherol prevents oxidative stress but would not improve depressed excretory variables in post-obstructed kidney (POK) after release of 24-h unilateral ureteral obstruction (UUO). This study is a supplementary investigation on the effects of a-tocopherol combined with an antagonist of angiotensin-II type-1 (AT1) receptor on renal dysfunc...
متن کاملIn-situ catalyzation approach for enhancing the hydrogenation/dehydrogenation kinetics of MgH2 powders with Ni particles
One practical solution for utilizing hydrogen in vehicles with proton-exchange fuel cells membranes is storing hydrogen in metal hydrides nanocrystalline powders. According to its high hydrogen capacity and low cost of production, magnesium hydride (MgH2) is a desired hydrogen storage system. Its slow hydrogenation/dehydrogenation kinetics and high thermal stability are the major barriers restr...
متن کاملEffect of transition-metal additives on hydrogen desorption kinetics of MgH2
Using first-principles calculations, we study the effect of transition-metal additives (Ti, Fe, Co, and Ni) on the rate of hydrogen desorption in MgH2. The presence of large concentrations of transition-metal impurities causes the Fermi level to shift according to the position of the transition-metal acceptor/donor levels in the band gap. This shift can lower the formation energy of native defe...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: International Journal of Hydrogen Energy
سال: 2016
ISSN: 0360-3199
DOI: 10.1016/j.ijhydene.2016.01.156