Results 191 to 200 of about 4,583,628 (240)
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Atomic volumes of transition metals
Solid State Communications, 1977Abstract We discuss the various repulsive terms which can give rise to a minimum in the energy as a function of interatomic distances and permits the calculation of atomic volumes of transitional metal. We show that the direct overlap between atomic functions provides in a very simple way the repulsive contribution to the energy and must be included ...
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Theoretical atomic volumes of the light actinides
Physical Review B, 2000The zero-pressure zero-temperature equilibrium volumes and bulk moduli are calculated for the light actinides Th through Pu using two independent all-electron, full-potential, electronic-structure methods: the full-potential linear augmented-plane-wave method and the linear combinations of Gaussian-type orbitals-fitting function method.
M. D. Jones +3 more
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Haloethanes, geometric volume and atomic contribution method
Computers & Chemistry, 1994Abstract 629 haloethanes are theoretically possible by different combinations of fluorine, chlorine, bromine and iodine atoms. Geometric and common volumes of all these compounds have been computed. Rotation of the methyl group about the CC single bond effects changes in the geometric and common volumes.
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On the atomic volume relations in certain isomorphous series
Mineralogical Magazine and Journal of the Mineralogical Society, 1927Considerable interest attaches to the estimation of the volume occupied by the several atoms in a crystalline compound. For the complete molecule a volume can at once be calculated from the density and the chemical composition, but the further subdivision of this space into domains belonging to the constituent atoms or groups can only be made by ...
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Calculation of molecular and atomic volumes and surfaces
Journal of Structural Chemistry, 1994A method for calculating the molecular volume and surface as the sum of increments of atomic volumes and surfaces is proposed. The calculation of volume and surface increments is performed in three stages: analysis of the intersection picture of interpenetrating spheres; calculation of increments by the exact formulas for atoms with the environment ...
V. I. Shilnikov +2 more
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Atomic diameters, atomic volumes and solid solubility relations in alloys
Acta Metallurgica, 1966Abstract The use of the concepts of favourable and unfavourable size factor in predicting solid solubilities in metallic systems is discussed. The original concept of Hume-Rothery, Mabbott and Channel-Evans involved the use of atomic diameters which were defined as the closest distances of approach of atoms in the crystals of the elements.
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High volume ultrasonic liquid atomizer
The Journal of the Acoustical Society of America, 1987An ultrasonic liquid atomizer particularly for high volume flow rates is disclosed. An enlarged tip with a plurality of orifices is provided to increase the flow rate. A gradual transition to the enlarged atomizer tip is provided to enhance performance.
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Variations in atomic volume for alloy-systems
Physics Letters A, 1972Abstract The formation of intermetallic compounds is often accompanied by large volume changes. It is demonstrated that these can be calculated from a simple extension of pseudopotential theory.
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The spectrum of atomic excess free volume in grain boundaries
Journal of Materials Science, 2021S. Pal +4 more
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