scholarly journals A computer program for transition paths of phase transitions with no group–subgroup relation between the phases

2004 ◽  
Vol 60 (a1) ◽  
pp. s244-s244
Author(s):  
C. Capillas ◽  
J. M. Perez-Mato ◽  
M. I. Aroyo
Keyword(s):  
Phase Transitions ◽  
Computer Program ◽  
Transition Paths

Automated parametric Rietveld refinement: Applications in reaction kinetics and in the extraction of microstructural information

2011 ◽  
Vol 26 (S1) ◽  
pp. S26-S37 ◽  
Author(s):  
P. Rajiv ◽  
R. E. Dinnebier ◽  
M. Jansen ◽  
M. Joswig
Keyword(s):  
Titanium Dioxide ◽  
Phase Transitions ◽  
Computer Program ◽  
Kinetic Analysis ◽  
Rietveld Refinement ◽  
Copper Phthalocyanine ◽  
Nanocrystalline Titanium ◽  
Polymorphic Forms ◽  
Nanocrystalline Titanium Dioxide

Two applications of parametric Rietveld refinement employing a newly developed robust computer program are presented. The first application focuses on the parametric kinetic analysis of the reactions involving phase transitions of various polymorphic forms of copper phthalocyanine pigments. The second application concerns the parameterization of crystallite size with respect to experimental temperature. XRPD data for nanocrystalline titanium dioxide measured in dependence on temperature are used in this case study. Both the applications were realized with the help of the developed program in combination with the launch mode of topas® software.

Maximal symmetry transition paths for reconstructive phase transitions

2007 ◽  
Vol 19 (27) ◽  
pp. 275203 ◽  
Author(s):  
C Capillas ◽  
J M Perez-Mato ◽  
M I Aroyo
Keyword(s):  
Phase Transitions ◽  
Maximal Symmetry ◽  
Transition Paths

A general computer program for the extended plate overlap algorithm

1978 ◽  
Vol 48 ◽  
pp. 287-293 ◽  
Author(s):  
Chr. de Vegt ◽  
E. Ebner ◽  
K. von der Heide
Keyword(s):  
Computer Program ◽  
Simultaneous Determination ◽  
General Computer Program ◽  
General Computer

In contrast to the adjustment of single plates a block adjustment is a simultaneous determination of all unknowns associated with many overlapping plates (star positions and plate constants etc. ) by one large adjustment. This plate overlap technique was introduced by Eichhorn and reviewed by Googe et. al. The author now has developed a set of computer programmes which allows the adjustment of any set of contemporaneous overlapping plates. There is in principle no limit for the number of plates, the number of stars, the number of individual plate constants for each plate, and for the overlapping factor.

Electron Microscopy of Graphite Intercalation Compounds

1982 ◽  
Vol 40 ◽  
pp. 544-545
Author(s):  
G. Timp ◽  
L. Salamanca-Riba ◽  
L.W. Hobbs ◽  
G. Dresselhaus ◽  
M.S. Dresselhaus
Keyword(s):  
Electron Microscopy ◽  
Phase Transitions ◽  
Domain Wall ◽  
Intercalation Compounds ◽  
Lattice Plane ◽  
Wall Model ◽  
Graphite Intercalation Compounds ◽  
Fundamental Symmetry ◽  
Graphite Intercalation

Electron microscopy can be used to study structures and phase transitions occurring in graphite intercalations compounds. The fundamental symmetry in graphite intercalation compounds is the staging periodicity whereby each intercalate layer is separated by n graphite layers, n denoting the stage index. The currently accepted model for intercalation proposed by Herold and Daumas assumes that the sample contains equal amounts of intercalant between any two graphite layers and staged regions are confined to domains. Specifically, in a stage 2 compound, the Herold-Daumas domain wall model predicts a pleated lattice plane structure.

Structures and crystallization of vacuum-deposited amorphous Se and Sb films

1990 ◽  
Vol 48 (4) ◽  
pp. 140-141
Author(s):  
Makoto Shiojiri ◽  
Toshiyuki Isshiki ◽  
Tetsuya Fudaba ◽  
Yoshihiro Hirota
Keyword(s):  
Monte Carlo ◽  
Electron Microscope ◽  
Monte Carlo Method ◽  
Computer Program ◽  
Radial Distribution ◽  
Film Formation ◽  
Amorphous State ◽  
Two Dimensional ◽  
Amorphous Films ◽  
Binding Condition

In hexagonal Se crystal each atom is covalently bound to two others to form an endless spiral chain, and in Sb crystal each atom to three others to form an extended puckered sheet. Such chains and sheets may be regarded as one- and two- dimensional molecules, respectively. In this paper we investigate the structures in amorphous state of these elements and the crystallization.HRTEM and ED images of vacuum-deposited amorphous Se and Sb films were taken with a JEM-200CX electron microscope (Cs=1.2 mm). The structure models of amorphous films were constructed on a computer by Monte Carlo method. Generated atoms were subsequently deposited on a space of 2 nm×2 nm as they fulfiled the binding condition, to form a film 5 nm thick (Fig. 1a-1c). An improvement on a previous computer program has been made as to realize the actual film formation. Radial distribution fuction (RDF) curves, ED intensities and HRTEM images for the constructed structure models were calculated, and compared with the observed ones.

Multiple phase transitions investigated by high-speed TEM

1990 ◽  
Vol 48 (4) ◽  
pp. 550-551
Author(s):  
Oleg Bostanjoglo ◽  
Peter Thomsen-Schmidt
Keyword(s):  
Phase Transitions ◽  
High Speed ◽  
Short Exposure ◽  
Semiconductor Film ◽  
Time Resolved ◽  
Short Exposure Time ◽  
Multiple Phase ◽  
Model Substance ◽  
History Of ◽  
Electron Image

Thin GexTe1-x (x = 0.15-0.8) were studied as a model substance of a composite semiconductor film, in addition being of interest for optical storage material. Two complementary modes of time-resolved TEM were used to trace the phase transitions, induced by an attached Q-switched (50 ns FWHM) and frequency doubled (532 nm) Nd:YAG laser. The laser radiation was focused onto the specimen within the TEM to a 20 μm spot (FWHM). Discrete intermediate states were visualized by short-exposure time doubleframe imaging /1,2/. The full history of a transformation was gained by tracking the electron image intensity with photomultiplier and storage oscilloscopes (space/time resolution 100 nm/3 ns) /3/. In order to avoid radiation damage by the probing electron beam to detector and specimen, the beam is pulsed in this continuous mode of time-resolved TEM,too.Short events ( <2 μs) are followed by illuminating with an extended single electron pulse (fig. 1c)

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