Method for Fast Estimation of Lattice Distortion Energy in Organic Semiconductors

JETP Letters ◽  
2019 ◽  
Vol 110 (3) ◽  
pp. 193-199 ◽  
Author(s):  
A. Yu. Sosorev
Keyword(s):  
Organic Semiconductors ◽  
Lattice Distortion ◽  
Fast Estimation ◽  
Distortion Energy

scholarly journals Investigation on the Quench Sensitivity of 7085 Aluminum Alloy with Different Contents of Main Alloying Elements

Metals ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 965
Author(s):  
Chengbo Li ◽  
Dongdong Chen
Keyword(s):  
Aluminum Alloy ◽  
Lattice Distortion ◽  
Supersaturated Solid Solution ◽  
Alloying Elements ◽  
Quench Sensitivity ◽  
Transmission Electron ◽  
Distortion Energy ◽  
Temperature Transformation ◽  
The Stability ◽  
Mgzn2 Phase

The quench sensitivity of 7085 aluminum alloy with different contents of the main alloying elements (Zn, Mg and Cu) was investigated using time-temperature-transformation (TTT) curves and end quenching experiments. Then, the quenching microstructure was analyzed using transmission electron microscopy. With increasing the contents of the main alloying elements, the transitions and nose temperatures of the TTT curves are obviously increased, while the incubation time of 0.5% η (MgZn2) phase precipitation content is decreased. In addition, as the contents of the main alloying elements decrease, the conductivity of the quenched samples is increased, but the hardness of the quenched samples is decreased. Moreover, the size and area fraction of the η phase are increased with increasing the contents of the main alloying elements. Based on the experimental results, the increase of Mg and Cu contents can decrease the stability of supersaturated solid solution and increase the lattice distortion energy, which can increase the quench sensitivity of 7085 aluminum alloy.

scholarly journals We Are Never Ever Getting (back to) Ideal Symmetry: Structure and Luminescence in a Ten-Coordinated Europium(III) Sulfate Crystal

2022 ◽  
Author(s):  
Maria Storm Thomsen ◽  
Andy Sode Anker ◽  
Laura Kacenauskaite ◽  
Thomas Just Sørensen
Keyword(s):  
Electronic Structure ◽  
Lattice Distortion ◽  
Theoretical Treatment ◽  
Small Deviations ◽  
Deviation Analysis ◽  
Distortion Energy ◽  
Symmetry Structure ◽  
Sulfate Crystal ◽  
Experimental Structure ◽  
Symmetric Systems

Our theoretical treatment of electronic structure in coordination complexes often rests on assumptions of symmetry. Experiments rarely provide fully symmetric systems to study. In solution, fluctuation in solvation, variations in conformation, and even changes in constitution occur and complicates the picture. In crystals, lattice distortion, energy transfer, and phonon quenching is in play, but we are able to have distinct symmetries. Yet the question remains: How is the real symmetry in a crystal compared to ideal symmetries? Moreover, at what level of detail do we need to study a system to determine, if the electronic structure behaves as if it has ideal symmetry? Here, we have revisited the Continues Shape Measurement (CShM) approach developed by Ruiz-Martínez and Alvarez to evaluate the structure of ten-coordinated europium(III) ions in a K5Na[Eu2(SO4)6] structure. By comparing the result of the symmetry deviation analysis to luminescence data, we are able to show the effect of small deviations from ideal symmetry. We suggest using a symmetry deviation value, σideal, determined by using our updated approach to Continues Shape Measurements, where we also align the structure via our AlignIt code. AlignIt includes normalization and relative orientation in the symmetry comparison, and by combining the calculated values with the experimentally determined energy level splitting, we were able create the first point on a scale that can show how close to ideal an experimental structure actually is.

Lattice distortion energy of heat-treated manganese films

1978 ◽  
Vol 53 (3) ◽  
pp. L13-L15 ◽  
Author(s):  
L. Olumekor ◽  
J. Beynon
Keyword(s):  
Lattice Distortion ◽  
Heat Treated ◽  
Distortion Energy

Improving the Stability of Organic Semiconductors: Distortion Energy versus Aromaticity in Substituted Bistetracene

2016 ◽  
Vol 28 (23) ◽  
pp. 8504-8512 ◽  
Author(s):  
Simil Thomas ◽  
Jack Ly ◽  
Lei Zhang ◽  
Alejandro L. Briseno ◽  
Jean-Luc Bredas
Keyword(s):  
Organic Semiconductors ◽  
Distortion Energy ◽  
The Stability

Annealing characteristics and lattice distortion energy spectra of chromium–copper alloy films

1982 ◽  
Vol 71 (2) ◽  
pp. 323-327 ◽  
Author(s):  
A. R. Patel ◽  
N. C. Pandya ◽  
N. C. Chourasia ◽  
G. K. Shivakumar
Keyword(s):  
Copper Alloy ◽  
Lattice Distortion ◽  
Energy Spectra ◽  
Alloy Films ◽  
Distortion Energy

Lattice Distortion Energy Spectra of Vacuum-deposited Copper Films

1991 ◽  
Vol 26 (7) ◽  
pp. K163-K168 ◽  
Author(s):  
N. C. Chourasia ◽  
V. L. Gadgeel ◽  
G. K. Shivakumar
Keyword(s):  
Lattice Distortion ◽  
Energy Spectra ◽  
Copper Films ◽  
Distortion Energy

SPECTRA: A program for processing electron images of crystals

1992 ◽  
Vol 50 (1) ◽  
pp. 132-133
Author(s):  
M.F. Schmid ◽  
R. Dargahi ◽  
M. W. Tam
Keyword(s):  
Lattice Distortion ◽  
Data Transfer ◽  
Reciprocal Lattice ◽  
Data Entry ◽  
Image Data ◽  
Distortion Correction ◽  
Specimen Preparation ◽  
Electron Image ◽  
Computer Controlled ◽  
Program Modules

Electron crystallography is an emerging field for structure determination as evidenced by a number of membrane proteins that have been solved to near-atomic resolution. Advances in specimen preparation and in data acquisition with a 400kV microscope by computer controlled spot scanning mean that our ability to record electron image data will outstrip our capacity to analyze it. The computed fourier transform of these images must be processed in order to provide a direct measurement of amplitudes and phases needed for 3-D reconstruction.In anticipation of this processing bottleneck, we have written a program that incorporates a menu-and mouse-driven procedure for auto-indexing and refining the reciprocal lattice parameters in the computed transform from an image of a crystal. It is linked to subsequent steps of image processing by a system of data bases and spawned child processes; data transfer between different program modules no longer requires manual data entry. The progress of the reciprocal lattice refinement is monitored visually and quantitatively. If desired, the processing is carried through the lattice distortion correction (unbending) steps automatically.

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