New Expression of the Chemical Bond in Perovskite-Type Oxides

2007 ◽  
Vol 561-565 ◽  
pp. 1823-1826 ◽  
Author(s):  
Y. Shinzato ◽  
Yuki Saito ◽  
Hiroshi Yukawa ◽  
Masahiko Morinaga ◽  
Takeshi Baba ◽  
...  
Keyword(s):  
Energy Density ◽  
Oxygen Atom ◽  
Total Energy ◽  
Chemical Bond ◽  
Metal Atom ◽  
Atomization Energy ◽  
Energy Diagram ◽  
Energy Concept ◽  
Density Analysis ◽  
Perovskite Type

A new expression for the chemical bond in perovskite-type oxides is proposed based on the atomization energy concept. The atomization energies, Eo for oxygen atom and EM for metal atom in each oxide are evaluated theoretically using the energy density analysis of the total energy, and the 9EO vs. 9EM diagram called atomization energy diagram, is constructed. Every oxide can be located on the atomization energy diagram, although there are significant differences in the nature of the chemical bond among the oxides.

Energy density analysis of the chemical bond between atoms in perovskite-type hydrides

2007 ◽  
Vol 446-447 ◽  
pp. 96-100 ◽  
Author(s):  
Yoshifumi Shinzato ◽  
Hiroshi Yukawa ◽  
Masahiko Morinaga ◽  
Takeshi Baba ◽  
Hiromi Nakai
Keyword(s):  
Energy Density ◽  
Chemical Bond ◽  
Density Analysis ◽  
Perovskite Type

Analysis of Energy Distribution for Digital Electronic Detonator Blasting

2013 ◽  
Vol 850-851 ◽  
pp. 332-337
Author(s):  
Wei Feng Cheng ◽  
Zhen Yu Wang ◽  
Yin Lu Chen ◽  
Guo Hua Liu
Keyword(s):  
Energy Density ◽  
Total Energy ◽  
Wavelet Packet ◽  
Low Frequency ◽  
Good Effect ◽  
Tunnel Support ◽  
Vibration Signals ◽  
Density Analysis ◽  
Electronic Detonator ◽  
Important Significance

Excavation blasting has a great impact on the buildings, therefore, it is important to control blasting vibrations. In this paper, based on the time-energy density analysis and wavelet packet analysis for measured data of blasting vibrations, some useful results can be concluded. Firstly, the energy of Millisecond Detonator Blasting (MDB) vibration signals in the 0~200Hz band accounts for 90.06% of the total energy, and its advantage energy mainly distribute in low-frequency band. However, the energy of Digital Electronic Detonator Blasting (DEDB) vibration signals in the 0~600Hz band is 96.08% of the total energy, its advantage energy mainly distribute in wider band. Moreover, the time-energy density curve of DEDB doesnt have the abrupt and separated fluctuation, which indicates the interference and superposition of DEDB are very distinct. The controlled DEDBs and tunnel support measures of this project have achieved a good effect. The comprehensive benefits are remarkable and it has an important significance for improving the level of blasting technology.

Ultra-processed foods drive to unhealthy diets: evidence from Chile

2020 ◽  
pp. 1-10 ◽  
Author(s):  
Gustavo Cediel ◽  
Marcela Reyes ◽  
Camila Corvalán ◽  
Renata Bertazzi Levy ◽  
Ricardo Uauy ◽  
...  
Keyword(s):  
Energy Density ◽  
Total Energy ◽  
Population Attributable Fraction ◽  
Positive Association ◽  
Processed Foods ◽  
Significant Positive Association ◽  
Cross Sectional ◽  
Trans Fats ◽  
Free Sugars ◽  
Saturated Fats

Abstract Objectives: To assess the consumption of ultra-processed foods and its association with the overall dietary content of nutrients related to non-communicable diseases (NCD) in the Chilean diet and to estimate the population attributable fraction of ultra-processed food consumption on the unhealthy nutrient content. Design: Cross-sectional analysis of dietary data collected through a national survey (2010). Setting: Chile. Participants: Chilean population aged ≥2 years (n 4920). Results: In Chile, ultra-processed foods represented 28·6 % of the total energy intake. A significant positive association was found between the dietary share of ultra-processed foods and NCD-promoting nutrients such as dietary energy density (standardised regression coefficient (β) = 0·22), content of free sugars (β = 0·45), total fats (β = 0·26), saturated fats (β = 0·19), trans fats (β = 0·09) and Na:K ratio (β = 0·04), while a significant negative association was found with the content of NCD-protective nutrients such as K (β = –0·19) and fibre (β = –0·31). The content of Na (β = 0·02) presented no significant association. Except for Na, the prevalence of inadequate intake of all nutrients (WHO recommendations) increased across quintiles of the dietary share of ultra-processed foods. With the reduction of ultra-processed foods consumption to the level seen among the 20 % lowest consumers (3·8 % (0–9·3 %) of the total energy from ultra-processed foods), the prevalence of nutrient inadequacy would be reduced in almost three-fourths for trans fats; in half for energy density (foods); in around one-third for saturated fats, energy density (beverages), free sugars and total fats; in near 20 % for fibre and Na:K ratio and in 13 % for K. Conclusions: In Chile, decreasing the consumption of ultra-processed foods is a potentially effective way to achieve the WHO nutrient goals for the prevention of diet-related NCD.

scholarly journals Latitudinal and seasonal variability of gravity-wave energy in the South-West Indian Ocean

2007 ◽  
Vol 25 (12) ◽  
pp. 2479-2485 ◽  
Author(s):  
F. Chane-Ming ◽  
D. Faduilhe ◽  
J. Leveau
Keyword(s):  
Energy Density ◽  
Indian Ocean ◽  
Total Energy ◽  
Seasonal Variability ◽  
La Réunion ◽  
Raman Lidar ◽  
Total Energy Density ◽  
South West Indian Ocean ◽  
South West ◽  
West Indian Ocean

Abstract. Vertical temperature profiles obtained by radiosonde and Raman lidar measurements are used to investigate a climatology of total energy density of gravity waves (GW) in the Upper Troposphere (UT) and the Lower Stratosphere (LS) from 1992 to 2004 above Mahé (4° S, 55° E), Tromelin (15° S, 54° E) and La Réunion (21° S, 55° E) located in the tropical South-West Indian Ocean. The commonly used spectral index value (p≈5/3) of the intrinsic frequency spectrum is used for calculating estimated total energy density in the UT and LS. Estimated total energy density provides good estimation of total energy density in the LS but underestimates total energy density by one half in the UT above Mahé and Tromelin probably due to the activity of near-inertial frequency waves. Estimated total energy density reveals a strong seasonal variability as a function of latitude and convection as an evident active source of GW activity in the LS in austral summer. Above La Réunion, a semi-annual GW activity is observed in the LS with the signature of the subtropical barrier in the UT. Moreover, radiosondes and Raman lidar provide consistent GW surveys in the UT/LS at heights<23 km above La Réunion.

Optimum process and energy density analysis of canola oil biodiesel synthesis

2010 ◽  
Vol 16 (6) ◽  
pp. 1006-1010 ◽  
Author(s):  
Seung Bum Lee ◽  
Kyong Ho Han ◽  
Jae Dong Lee ◽  
In Kwon Hong
Keyword(s):  
Energy Density ◽  
Canola Oil ◽  
Optimum Process ◽  
Biodiesel Synthesis ◽  
Density Analysis

First-Principles Study on Initial Oxidation of NiAl(110)

2007 ◽  
Vol 546-549 ◽  
pp. 1455-1460 ◽  
Author(s):  
Jun Min Hu ◽  
Jia Xiang Shang ◽  
Yue Zhang ◽  
Chun Gen Zhou ◽  
Hui Bin Xu
Keyword(s):  
Density Functional Theory ◽  
Charge Transfer ◽  
Oxygen Atom ◽  
Chemical Bond ◽  
First Principles ◽  
Density Functional ◽  
Bridge Site ◽  
Initial Oxidation ◽  
Functional Theory ◽  
Oxidation Stage

The oxygen atom adsorption at Al-Al bridge, Ni-Ni bridge, Al top and Ni top site on the NiAl(110) surface by first-principles method within density functional theory has been studied in this paper. It has been found that the preferred adsorption position of the oxygen was at the Al-Al bridge site then the Ni-Ni bridge site. The charge transfer took place obviously between the O atom and the nearest Al atoms, but no charge transferred from the nearest Ni atoms to O atom. For the Al-Al (Ni-Ni) bridge adsorption site, the bond lengths of Al-O and Ni-O were about 1.741 Å (1.700Å) and 2.369Å (2.012Å), respectively, which means that the Al atom is easier to be oxidized than the Ni atom. It is revealed that the Al atom oxidized selectively and the chemical bond formed between the O ion and the nearest Al ions during the initial oxidation stage.

The Studies of ScB2 (0001) Surfaces from the First-Principles

2014 ◽  
Vol 989-994 ◽  
pp. 688-693
Author(s):  
Hui Zhao ◽  
Qian Han
Keyword(s):  
Energy Density ◽  
Total Energy ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Surface Structures ◽  
Charge Accumulation ◽  
Total Energy Density ◽  
Energy Density Functional

We conduct first-principles total-energy density functional calculations to study the ScB2 (0001) surfaces. The optimized surface structures and electronic properties are obtained. The results show that Sc-terminated surface is thermodynamically more favorable in most of range. The relaxations indicate that it is mainly localized within top three layers and it is less relaxation for Sc-terminated surface. The surface induced features in DOS disappear slowly for the B-terminated surface but vanish rapidly for the Sc-terminated surface. For the Sc-terminated surface, it shows strong metallic property. Simultaneously, both termination surfaces are found charge accumulation relative to the idea surface. Sc-B bonds are strengthened result in the outermost interface spacing are all contracted.

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