نتایج جستجو برای: atomic decomposition
تعداد نتایج: 188930 فیلتر نتایج به سال:
We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and Density Functional Theory (DFT) frameworks. This method iterates between local fine solvers and global coarse solvers, in the spirit of domain decomposition methods. Using this approach, calculations have been successfully performed on several linear polymer chains con...
We report on the thermal decomposition of uncapped, ultrathin HfO2 films grown by chemical vapor deposition on SiO2 /Si(100) substrates. Medium energy ion scattering, x-ray photoelectron spectroscopy, scanning electron microscopy and atomic force microscopy were used to examine the films after they had been annealed in vacuum to 900–1050 °C. Film decomposition is a strong function of the HfO2 o...
It was usually believed that the formation of intragranular ?-carbide in ?-austenite attributed to spinodal decomposition followed by ordering reaction. In this work, near-atomic scale characterization an austenite-based Fe-20Mn-9Al-3Cr-1.2C (wt. %) low-density steel, using (high-resolution) scanning transmission electron microscopy and atomic probe tomography, reveals initially-formed ?-carbid...
This paper describes a technique of expression decomposition which allows the use of rely/guarantee development rules that do not assume atomic expression evaluation. This decomposition provides a means of addressing the fact that the logical meaning of expressions relative to a single state and the semantic evaluation of expressions in a fine-grained concurrent language do not provide the same...
The gas-phase chemistry of silicon oxynitridation in N2O has been investigated. From an evaluation of available kinetic data, we have developed a model for the thermal decomposition of gaseous N2O. To quantify heat transfer between the N2O gas and the wall of the furnace, we introduce the concept of referencing to an N2 gas-temperature profile, measured in an oxidation furnace. Using this model...
The area of thin-film photovoltaics has been overwhelmed by organometal halide perovskites. Unfortunately, serious stability concerns arise with perovskite solar cells. For example, methyl-ammonium lead iodide is known to decompose in the presence of water and, more severely, even under inert conditions at elevated temperatures. Here, we demonstrate inverted perovskite solar cells, in which the...
We introduce 2-microlocal Morrey type Besov and Triebel-Lizorkin spaces with variable exponents give some characterizations of these by so-called Peetre?s maximal functions. The atomic molecular decompositions are obtained. Finally, using decomposition the property local means, we get wavelet spaces.
The rational Dunkl operators are commuting differential-reflection on the Euclidean space Rd associated with a root system, that contain some non-local refection terms, and Hardy is defined by means of Riesz transforms respect to operators. aim paper prove its dual can be realized class functions Rd, denoted BMCκ in text, consists underlying certain type weighted Carleson measures. Our method “...
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