Development of Ab-initio Multibody Energy Expansions for the Design of Metallic Materials with Extremal Properties

2010 ◽  
Author(s):  
Nicholas Zabaras
Keyword(s):  
Ab Initio ◽  
Metallic Materials ◽  
Extremal Properties

SEM Examination of a Used Diamond Knife

1971 ◽  
Vol 29 ◽  
pp. 452-453
Author(s):  
J. Temple Black
Keyword(s):  
Electron Microscope ◽  
High Voltage ◽  
High Magnification ◽  
Metallic Materials ◽  
Wide Spread ◽  
Thin Sections ◽  
Transmission Electron ◽  
Scanning Transmission ◽  
Scanning Electron ◽  
Diamond Knife

Since its introduction by Fernandez-Moran, the diamond knife has gained wide spread usage as a common material for cutting of thin sections of biological and metallic materials into thin films for examination in the transmission electron microscope. With the development of high voltage E.M. and scanning transmission E.M., microtomy applications will become increasingly important in the preparation of specimens. For those who can afford it, the diamond knife will thus continue to be an important tool to accomplish this effort until a cheaper but equally strong and sharp tool is found to replace the diamond, glass not withstanding.In Figs. 1 thru 3, a first attempt was made to examine the edge of a used (β=45°) diamond knife by means of the scanning electron microscope. Because diamond is conductive, first examination was tried without any coating of the diamond. However, the contamination at the edge caused severe charging during imaging. Next, a thin layer of carbon was deposited but charging was still extensive at high magnification - high voltage settings. Finally, the knife was given a light coating of gold-palladium which eliminated the charging and allowed high magnification micrographs to be made with reasonable resolution.

Observation of secondary slip systems in tungsten bicrystals

1984 ◽  
Vol 42 ◽  
pp. 478-479
Author(s):  
J. R. Fekete ◽  
R. Gibala
Keyword(s):  
Stress Field ◽  
Grain Boundaries ◽  
Deformation Behavior ◽  
Stress Axis ◽  
Polycrystalline Materials ◽  
Slip Systems ◽  
Metallic Materials ◽  
Twist Boundary ◽  
Secondary Slip ◽  
Plane Normal

The deformation behavior of metallic materials is modified by the presence of grain boundaries. When polycrystalline materials are deformed, additional stresses over and above those externally imposed on the material are induced. These stresses result from the constraint of the grain boundaries on the deformation of incompatible grains. This incompatibility can be elastic or plastic in nature. One of the mechanisms by which these stresses can be relieved is the activation of secondary slip systems. Secondary slip systems have been shown to relieve elastic and plastic compatibility stresses. The deformation of tungsten bicrystals is interesting, due to the elastic isotropy of the material, which implies that the entire compatibility stress field will exist due to plastic incompatibility. The work described here shows TEM observations of the activation of secondary slip in tungsten bicrystals with a [110] twist boundary oriented with the plane normal parallel to the stress axis.

Ab initio band theory approach to electron energy loss near edge structures

1988 ◽  
Vol 46 ◽  
pp. 506-507
Author(s):  
Xudong Weng ◽  
O.F. Sankey ◽  
Peter Rez
Keyword(s):  
Ab Initio ◽  
Local Density ◽  
Interpolation Method ◽  
Atomic Orbital ◽  
Plane Waves ◽  
Large Set ◽  
Theory Approach ◽  
Band Theory ◽  
Atomic Orbitals ◽  
Pseudopotential Calculations

Single electron band structure techniques have been applied successfully to the interpretation of the near edge structures of metals and other materials. Among various band theories, the linear combination of atomic orbital (LCAO) method is especially simple and interpretable. The commonly used empirical LCAO method is mainly an interpolation method, where the energies and wave functions of atomic orbitals are adjusted in order to fit experimental or more accurately determined electron states. To achieve better accuracy, the size of calculation has to be expanded, for example, to include excited states and more-distant-neighboring atoms. This tends to sacrifice the simplicity and interpretability of the method.In this paper. we adopt an ab initio scheme which incorporates the conceptual advantage of the LCAO method with the accuracy of ab initio pseudopotential calculations. The so called pscudo-atomic-orbitals (PAO's), computed from a free atom within the local-density approximation and the pseudopotential approximation, are used as the basis of expansion, replacing the usually very large set of plane waves in the conventional pseudopotential method. These PAO's however, do not consist of a rigorously complete set of orthonormal states.

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study

Millimetre-wave and infrared spectroscopy of Br13 CN: anharmonic force field of cyanogen bromide from spectroscopic data and ab initio calculations

1997 ◽  
Vol 90 (3) ◽  
pp. 495-497
Author(s):  
CLAUDIO ESPOSTI ◽  
FILIPPO TAMASSIA ◽  
CRISTINA PUZZARINI ◽  
RICCARDO TARRONI ◽  
ZDENEK ZELINGER
Keyword(s):  
Infrared Spectroscopy ◽  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Data ◽  
Cyanogen Bromide ◽  
Millimetre Wave ◽  
Anharmonic Force
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