Orbital Interpretation of Kinetic Energy Density and a Direct Space Comparison of Chemical Bonding in Tetrahedral Network Solids

2008 ◽  
Vol 112 (33) ◽  
pp. 7705-7716 ◽  
Author(s):  
Dong-Kyun Seo ◽  
Chang’e Weng
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Chemical Bonding ◽  
Kinetic Energy Density

Localized-orbital locator (LOL) profiles of chemical bonding

2008 ◽  
Vol 86 (7) ◽  
pp. 695-702 ◽  
Author(s):  
Heiko Jacobsen
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Transition Metal Complexes ◽  
Chemical Bonding ◽  
Electron Pair ◽  
Kinetic Energy Density ◽  
Triple Bonds ◽  
Core Electrons ◽  
Localized Orbital ◽  
Hypervalent Molecules

We examine a recently introduced descriptor of chemical bonding, the localized-orbital locator (LOL), which is based on the kinetic-energy density (τ). Examples are presented for prototypical chemical bonds, such as single, double, and triple bonds, for bonding in transition metal complexes, for three-center two-electron bonds, as well as for hypervalent molecules. The topology of LOL is analyzed in terms of (3,–3) attractors (Γ). The influence of core electrons for chemical bonding is investigated, and a LOL-VSEPR (valence shell electron pair repulstion) relationship is established. Further, we compare LOL to the related electron localization function (ELF).Key words: chemical bonding, kinetic-energy density, localized-electron locator, VSEPR theory.

scholarly journals Pulsations of blue supergiants before and after helium core ignition

2013 ◽  
Vol 9 (S301) ◽  
pp. 321-324
Author(s):  
Jakub Ostrowski ◽  
Jadwiga Daszyńska-Daszkiewicz
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Low Degree ◽  
Before And After

AbstractWe present results of pulsation analyses of B-type supergiant models with masses of 14 – 18 M⊙, considering evolutionary stages before and after helium core ignition. Using a non-adiabatic pulsation code, we compute instability domains for low-degree modes. For selected models in these two evolutionary phases, we compare properties of pulsation modes. Significant differences are found in oscillation spectra and the kinetic energy density of pulsation modes.

scholarly journals Anisotropy of the field-induced kinetic energy density in Bi2212

2014 ◽  
Vol 433 ◽  
pp. 79-83 ◽  
Author(s):  
J.P. Peña ◽  
R.R. da Silva ◽  
P. Pureur
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density

scholarly journals libKEDF: An accelerated library of kinetic energy density functionals

2017 ◽  
Vol 38 (17) ◽  
pp. 1552-1559 ◽  
Author(s):  
Johannes M. Dieterich ◽  
William C. Witt ◽  
Emily A. Carter
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Kinetic Energy Density ◽  
Density Functionals

scholarly journals Diurnal Dynamics of the Umov Kinetic Energy Density Vector in the Atmospheric Boundary Layer from Minisodar Measurements

Atmosphere ◽  
2021 ◽  
Vol 12 (10) ◽  
pp. 1347
Author(s):  
Alexander Potekaev ◽  
Nikolay Krasnenko ◽  
Liudmila Shamanaeva
Keyword(s):  
Energy Density ◽  
Kinetic Energy ◽  
Turbulent Kinetic Energy ◽  
Energy Flux ◽  
Wind Effect ◽  
Kinetic Energy Density ◽  
Near Surface ◽  
Density Vector ◽  
The Mean ◽  
Umov Vector

The diurnal hourly dynamics of the kinetic energy flux density vector, called the Umov vector, and the mean and turbulent components of the kinetic energy are estimated from minisodar measurements of wind vector components and their variances in the lower 200-meter layer of the atmosphere. During a 24-hour period of continuous minisodar observations, it was established that the mean kinetic energy density dominated in the surface atmospheric layer at altitudes below ~50 m. At altitudes from 50 to 100 m, the relative contributions of the mean and turbulent wind kinetic energy densities depended on the time of the day and the sounding altitude. At altitudes below 100 m, the contribution of the turbulent kinetic energy component is small, and the ratio of the turbulent to mean wind kinetic energy components was in the range 0.01–10. At altitudes above 100 m, the turbulent kinetic energy density sharply increased, and the ratio reached its maximum equal to 100–1000 at altitudes of 150–200 m. A particular importance of the direction and magnitude of the wind effect, that is, of the direction and magnitude of the Umov vector at different altitudes was established. The diurnal behavior of the Umov vector depended both on the time of the day and the sounding altitude. Three layers were clearly distinguished: a near-surface layer at altitudes of 5–15 m, an intermediate layer at altitudes from 15 m to 150 m, and the layer of enhanced turbulence above. The feasibility is illustrated of detecting times and altitudes of maximal and minimal wing kinetic energy flux densities, that is, time periods and altitude ranges most and least favorable for flights of unmanned aerial vehicles. The proposed novel method of determining the spatiotemporal dynamics of the Umov vector from minisodar measurements can also be used to estimate the effect of wind on high-rise buildings and the energy potential of wind turbines.

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