Continuous description of the atomic structure of grain boundaries using dislocation and generalized- disclination density fields. Int. J. Plast. 77, 75e89.X.-Y. Sun, V. Taupin, C. Fressengeas, P. Cordier, Continuous description of the atomic structure of grain bound- aries using dislocation...
Structural, electronic, and magnetic properties of nanometer-sized iron-oxide atomic clusters: Comparison between GGA and GGA+U approaches We perform spin-polarized density-functional theory simulations within the generalized gradient approximation (GGA) and GGA+U method on nanometer-sized iron-oxide atom...
5. Week 15 Wave function, Schrodingger equation, infinite deep potential well in one dimension. Spin of electron, forth quantum number, description of hydrogen atom with quantum mechanics, Pauli exclusion principle, shell distribution of electrons out of atomic nucleus. ...
doi:10.1002/9780470057278.ch2interatomic distancecoordination numbers and coordination polyhedramean or ‘effective’ coordination number (e.c.n. or ECoN)coordination polyhedroncrystal structurecoordination polyhedra and symbolsatomic coordinatesisotypismMüller, UlrichJohn Wiley & Sons, Ltd...
Atomic structure of a tilt grain-boundary in a molybdenum bicrystal studied by 400 kv high resolution electron microscope. High-resolution electron microscopy of metals is now possible with the same accuracy as in [011] semiconductors, by means of the new electron microscopes w... JM Penisson,...
The Local Approach for calculating correlation energies of molecules is formulated for intraatomic correlations. This is an extension of earlier work in which it was successfully applied to interatomic correlations. In order to treat intraatomic correlations the atomic volume is divided into subspaces...
According to this theory, an internal description of an object's structure is constructed from observed visual features, essentially by transforming the viewer-based retinal input to an object-based representation (Fig. 2a)—a representation of the relationship of object parts to one another, ...
Atomic Service Sharing Use Cases of Atomic Services Development Process for Atomic Services Introduction to Service Center Service Center Overview Rules for Displaying Convenient Services in the Service Center Overall Development Requirements of Atomic Services Internationalization Internationalization ...
atomic energies based on a fixed basis set with a static number of parameters independent of the reference data used. The a priori choice of that basis set allows a more straightforward adjustment of their accuracy and speed51,58. On more technical grounds, the basis sets of MTPs are built ...
Clearly there must be selection and much of the treatment must be superficial. For example, atomic structure is treated by BCL in six pages and no student could have any basis for a further understanding of this subject after reading these. Both of the other books treat this topic in more ...