Computer Programs for Drawing Crystal Shapes and Atomic Structures

2017 ◽  
Vol 93 (1) ◽  
pp. 60-64 ◽  
Author(s):  
John Rakovan
Author(s):  
D. Cherns

The use of high resolution electron microscopy (HREM) to determine the atomic structure of grain boundaries and interfaces is a topic of great current interest. Grain boundary structure has been considered for many years as central to an understanding of the mechanical and transport properties of materials. Some more recent attention has focussed on the atomic structures of metalsemiconductor interfaces which are believed to control electrical properties of contacts. The atomic structures of interfaces in semiconductor or metal multilayers is an area of growing interest for understanding the unusual electrical or mechanical properties which these new materials possess. However, although the point-to-point resolutions of currently available HREMs, ∼2-3Å, appear sufficient to solve many of these problems, few atomic models of grain boundaries and interfaces have been derived. Moreover, with a new generation of 300-400kV instruments promising resolutions in the 1.6-2.0 Å range, and resolutions better than 1.5Å expected from specialist instruments, it is an appropriate time to consider the usefulness of HREM for interface studies.


Author(s):  
K. L. Merkle

The atomic structures of internal interfaces have recently received considerable attention, not only because of their importance in determining many materials properties, but also because the atomic structure of many interfaces has become accessible to direct atomic-scale observation by modem HREM instruments. In this communication, several interface structures are examined by HREM in terms of their structural periodicities along the interface.It is well known that heterophase boundaries are generally formed by two low-index planes. Often, as is the case in many fcc metal/metal and metal/metal-oxide systems, low energy boundaries form in the cube-on-cube orientation on (111). Since the lattice parameter ratio between the two materials generally is not a rational number, such boundaries are incommensurate. Therefore, even though periodic arrays of misfit dislocations have been observed by TEM techniques for numerous heterophase systems, such interfaces are quasiperiodic on an atomic scale. Interfaces with misfit dislocations are semicoherent, where atomically well-matched regions alternate with regions of misfit. When the misfit is large, misfit localization is often difficult to detect, and direct determination of the atomic structure of the interface from HREM alone, may not be possible.


Author(s):  
Z. L. Wang ◽  
R. Kontra ◽  
A. Goyal ◽  
D. M. Kroeger ◽  
L.F. Allard

Previous studies of Y2BaCuO5/YBa2Cu3O7-δ(Y211/Y123) interfaces in melt-processed and quench-melt-growth processed YBa2Cu3O7-δ using high resolution transmission electron microscopy (HRTEM) and energy dispersive X-ray spectroscopy (EDS) have revealed a high local density of stacking faults in Y123, near the Y211/Y123 interfaces. Calculations made using simple energy considerations suggested that these stacking faults may act as effective flux-pinners and may explain the observations of increased Jc with increasing volume fraction of Y211. The present paper is intended to determine the atomic structures of the observed defects. HRTEM imaging was performed using a Philips CM30 (300 kV) TEM with a point-to-point image resolution of 2.3 Å. Nano-probe EDS analysis was performed using a Philips EM400 TEM/STEM (100 kV) equipped with a field emission gun (FEG), which generated an electron probe of less than 20 Å in diameter.Stacking faults produced by excess single Cu-O layers: Figure 1 shows a HRTEM image of a Y123 film viewed along [100] (or [010]).


Author(s):  
C. J. D. Hetherington

Most high resolution images are not directly interpretable but must be compared with simulations based on model atomic structures and appropriate imaging conditions. Typically, the only parameters that are adjusted, in addition to the structure models, are crystal thickness and microscope defocus. Small tilts of the crystal away from the exact zone axis have only rarely been considered. It is shown here that, in the analysis of an image of a silicon twin intersection, the crystal tilt could be accurately estimated and satisfactorily included in the simulations.The micrograph shown in figure 1 was taken as part of an HREM study of indentation-induced hexagonal silicon. In this instance, the intersection of two twins on different habit planes has driven the silicon into hexagonal stacking. However, in order to confirm this observation, and in order to investigate other defects in the region, it has been necessary to simulate the image taking into account the very apparent crystal tilt. The inability to orientate the specimen at the exact [110] zone was influenced by i) the buckling of the specimen caused by strains at twin intersections, ii) the absence of Kikuchi lines or a clearly visible Laue circle in the diffraction pattern of the thin specimen and iii) the avoidance of radiation damage (which had marked effects on images taken a few minutes later following attempts to realign the crystal.) The direction of the crystal tilt was estimated by observing which of the {111} planes remained close to edge-on to the beam and hence strongly imaged. Further refinement of the direction and magnitude of the tilt was done by comparing simulated images to experimental images in a through-focal series. The presence of three different orientations of the silicon lattice aided the unambiguous determination of the tilt. The final estimate of a 0.8° tilt in the 200Å thick specimen gives atomic columns a projected width of about 3Å.


1984 ◽  
Vol 45 (6) ◽  
pp. 1025-1032 ◽  
Author(s):  
J.F. Sadoc ◽  
R. Mosseri

1986 ◽  
Vol 47 (C3) ◽  
pp. C3-405-C3-414 ◽  
Author(s):  
M. AUDIER ◽  
P. GUYOT
Keyword(s):  

CounterText ◽  
2015 ◽  
Vol 1 (3) ◽  
pp. 348-365 ◽  
Author(s):  
Mario Aquilina

What if the post-literary also meant that which operates in a literary space (almost) devoid of language as we know it: for instance, a space in which language simply frames the literary or poetic rather than ‘containing’ it? What if the countertextual also meant the (en)countering of literary text with non-textual elements, such as mathematical concepts, or with texts that we would not normally think of as literary, such as computer code? This article addresses these issues in relation to Nick Montfort's #!, a 2014 print collection of poems that presents readers with the output of computer programs as well as the programs themselves, which are designed to operate on principles of text generation regulated by specific constraints. More specifically, it focuses on two works in the collection, ‘Round’ and ‘All the Names of God’, which are read in relation to the notions of the ‘computational sublime’ and the ‘event’.


2013 ◽  
Vol 58 (4) ◽  
pp. 1347-1357 ◽  
Author(s):  
Roman Ścigała

Abstract The characteristic of specialized computer programs has been presented, serving for identification of W. Budryk-S. Knothe theory parameters, used for description of asymptotic state of post-mining deformations, as well as for transient state. The software is the result of several years of authors’ work. It is a part of complete software system designed for forecasting of underground mining influences on the rock mass and land surface and graphical processing of calculations results. Apart from software description, a short example of its practical utilization has been attached.


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