Computer Simulations of Molecules and Condensed Matter

The phenomenon of clustering in Al-Ag alloys has been extensively studied since the early work of Guinierl, wherein the pre-precipitation state was characterized as an assembly of spherical, ordered, silver-rich G.P. zones. Subsequent x-ray and TEM investigations yielded results in general agreement with this model. However, serious discrepancies were later revealed by the detailed x-ray diffraction - based computer simulations of Gragg and Cohen, i.e., the silver-rich clusters were instead octahedral in shape and fully disordered, atleast below 170°C. The object of the present investigation is to examine directly the structural characteristics of G.P. zones in Al-Ag by high resolution transmission electron microscopy.

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Inelastic scattering at surfaces and interfaces

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100143560 ◽

1986 ◽

Vol 44 ◽

pp. 392-393

Author(s):

R. H. Ritchie ◽

A. Howie

Keyword(s):

Inelastic Scattering ◽

Surface Properties ◽

Correlation Energy ◽

Condensed Matter ◽

Charged Particles ◽

Condensed Matter Physics ◽

Optical Phonons ◽

Exchange Correlation ◽

Surfaces And Interfaces ◽

Inelastic Interactions

An important part of condensed matter physics in recent years has involved detailed study of inelastic interactions between swift electrons and condensed matter surfaces. Here we will review some aspects of such interactions.Surface excitations have long been recognized as dominant in determining the exchange-correlation energy of charged particles outside the surface. Properties of surface and bulk polaritons, plasmons and optical phonons in plane-bounded and spherical systems will be discussed from the viewpoint of semiclassical and quantal dielectric theory. Plasmons at interfaces between dissimilar dielectrics and in superlattice configurations will also be considered.

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Multislice calculations for quasi-periodic and non-periodic objects

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100173820 ◽

1990 ◽

Vol 48 (4) ◽

pp. 138-139

Author(s):

R. Herrera ◽

A. Gómez

Keyword(s):

Electron Diffraction ◽

Computer Simulations ◽

Periodic Table ◽

Amorphous Materials ◽

Space Group ◽

Essential Step ◽

Shape Effects ◽

Atomic Scattering ◽

Diffraction Patterns ◽

Periodic Continuation

Computer simulations of electron diffraction patterns and images are an essential step in the process of structure and/or defect elucidation. So far most programs are designed to deal specifically with crystals, requiring frequently the space group as imput parameter. In such programs the deviations from perfect periodicity are dealt with by means of “periodic continuation”.However, for many applications involving amorphous materials, quasiperiodic materials or simply crystals with defects (including finite shape effects) it is convenient to have an algorithm capable of handling non-periodicity. Our program “HeGo” is an implementation of the well known multislice equations in which no periodicity assumption is made whatsoever. The salient features of our implementation are: 1) We made Gaussian fits to the atomic scattering factors for electrons covering the whole periodic table and the ranges [0-2]Å−1 and [2-6]Å−1.

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