Symmetry classification of the layered perovskite-derived A n B n X 3n+2 structures

1999 ◽  
Vol 55 (6) ◽  
pp. 853-866 ◽  
Author(s):  
Igor Levin ◽  
Leonid A. Bendersky
Keyword(s):  
Experimental Data ◽  
Room Temperature ◽  
Layered Perovskite ◽  
Space Groups ◽  
Symmetry Classification ◽  
Maximal Group ◽  
Axis Parallel ◽  
Layer Stacking ◽  
Fourfold Axis

The effects of combinations of octahedral tilts on the symmetries of layered A n B n X 3n+2 structures were considered. Two complementary approaches were used to deduce the symmetries. The space groups associated with different tilt systems were determined for structures with different layer thicknesses (n values) and for structures with different layer stacking arrangements. For the most symmetrical tilts about the orthorhombic axes of the A n B n X 3n+2 structure, maximal group/subgroup relations were established. Comparison of these results with experimental data available in the literature suggests that the symmetries of most observed A n B n X 3n+2 compounds are fully determined by the tilt systems adopted by rigid BX 6 octahedra. The most common tilt system observed at room temperature is a combination of an in-phase tilt about an orthorhombic axis parallel to the pseudo-fourfold axis of the octahedron with a tilt about an orthorhombic axis perpendicular to the layers.

Evidence for ordered Fe3Ni

1987 ◽  
Vol 45 ◽  
pp. 216-217
Author(s):  
K.B. Reuter ◽  
D.B. Williams ◽  
J.I. Goldstein
Keyword(s):  
Experimental Data ◽  
Martensitic Transformation ◽  
Electron Diffraction ◽  
Room Temperature ◽  
Direct Evidence ◽  
Transformation Product ◽  
Iron Meteorites ◽  
X Ray ◽  
Ni Content ◽  
Temperature Transformation

In the Fe-Ni system, although ordered FeNi and ordered Ni3Fe are experimentally well established, direct evidence for ordered Fe3Ni is unconvincing. Little experimental data for Fe3Ni exists because diffusion is sluggish at temperatures below 400°C and because alloys containing less than 29 wt% Ni undergo a martensitic transformation at room temperature. Fe-Ni phases in iron meteorites were examined in this study because iron meteorites have cooled at slow rates of about 10°C/106 years, allowing phase transformations below 400°C to occur. One low temperature transformation product, called clear taenite 2 (CT2), was of particular interest because it contains less than 30 wtZ Ni and is not martensitic. Because CT2 is only a few microns in size, the structure and Ni content were determined through electron diffraction and x-ray microanalysis. A Philips EM400T operated at 120 kV, equipped with a Tracor Northern 2000 multichannel analyzer, was used.

scholarly journals Smart Design Nano-Hybrid Formulations by Machine Learning

Proceedings ◽  
2020 ◽  
Vol 78 (1) ◽  
pp. 5
Author(s):  
Raquel de Melo Barbosa ◽  
Fabio Fonseca de Oliveira ◽  
Gabriel Bezerra Motta Câmara ◽  
Tulio Flavio Accioly de Lima e Moura ◽  
Fernanda Nervo Raffin ◽  
...  
Keyword(s):  
Machine Learning ◽  
Experimental Data ◽  
Water Solubility ◽  
Inorganic Materials ◽  
Fine Tuning ◽  
Support Vector ◽  
Drug Solubility ◽  
Physical Behavior ◽  
Best Fit

Nano-hybrid formulations combine organic and inorganic materials in self-assembled platforms for drug delivery. Laponite is a synthetic clay, biocompatible, and a guest of compounds. Poloxamines are amphiphilic four-armed compounds and have pH-sensitive and thermosensitive properties. The association of Laponite and Poloxamine can be used to improve attachment to drugs and to increase the solubility of β-Lapachone (β-Lap). β-Lap has antiviral, antiparasitic, antitumor, and anti-inflammatory properties. However, the low water solubility of β-Lap limits its clinical and medical applications. All samples were prepared by mixing Tetronic 1304 and LAP in a range of 1–20% (w/w) and 0–3% (w/w), respectively. The β-Lap solubility was analyzed by UV-vis spectrophotometry, and physical behavior was evaluated across a range of temperatures. The analysis of data consisted of response surface methodology (RMS), and two kinds of machine learning (ML): multilayer perceptron (MLP) and support vector machine (SVM). The ML techniques, generated from a training process based on experimental data, obtained the best correlation coefficient adjustment for drug solubility and adequate physical classifications of the systems. The SVM method presented the best fit results of β-Lap solubilization. In silico tools promoted fine-tuning, and near-experimental data show β-Lap solubility and classification of physical behavior to be an excellent strategy for use in developing new nano-hybrid platforms.

Intergrowth polytypoids as modulated structures: a superspace description of the Sr n (Nb,Ti) n O3n + 2 compound series

2001 ◽  
Vol 57 (4) ◽  
pp. 471-484 ◽  
Author(s):  
L. Elcoro ◽  
J. M. Perez-Mato ◽  
R. L. Withers
Keyword(s):  
Dimensional Space ◽  
Three Dimensional ◽  
Separation Distance ◽  
Space Group ◽  
Space Groups ◽  
Cell Parameters ◽  
Average Structure ◽  
Layer Stacking ◽  
Compound Series ◽  
Three Dimensional Space

A new, unified superspace approach to the structural characterization of the perovskite-related Sr n (Nb,Ti) n O3n + 2 compound series, strontium niobium/titanium oxide, is presented. To a first approximation, the structure of any member of this compound series can be described in terms of the stacking of (110)-bounded perovskite slabs, the number of atomic layers in a single perovskite slab varying systematically with composition. The various composition-dependent layer-stacking sequences can be interpreted in terms of the structural modulation of a common underlying average structure. The average interlayer separation distance is directly related to the average structure periodicity along the layer stacking direction, while an inherent modulation thereof is produced by the presence of different types of layers (particularly vacant layers) along this stacking direction. The fundamental atomic modulation is therefore occupational and can be described by means of crenel (step-like) functions which define occupational atomic domains in the superspace, similarly to what occurs for quasicrystals. While in a standard crystallographic approach, one must describe each structure (in particular the space group and cell parameters) separately for each composition, the proposed superspace model is essentially common to the whole compound series. The superspace symmetry group is unique, while the primary modulation wavevector and the width of some occupation domains vary linearly with composition. For each rational composition, the corresponding conventional three-dimensional space group can be derived from the common superspace group. The resultant possible three-dimensional space groups are in agreement with all the symmetries reported for members of the series. The symmetry-breaking phase transitions with temperature observed in many compounds can be explained in terms of a change in superspace group, again in common for the whole compound series. Inclusion of the incommensurate phases, present in many compounds of the series, lifts the analysis into a five-dimensional superspace. The various four-dimensional superspace groups reported for this incommensurate phase at different compositions are shown to be predictable from a proposed five-dimensional superspace group apparently common to the whole compound series. A comparison with the scarce number of refined structures in this system and the homologous (Nb,Ca)6Ti6O20 compound demonstrates the suitability of the proposed formalism.

scholarly journals Aluminum nitride doped with transition metal group atoms as a material for spintronics

2020 ◽  
pp. 162-172
Author(s):  
S.S. Khludkov ◽  
◽  
I.A. Prudaev ◽  
L.O. Root ◽  
O.P. Tolbanov ◽  
...  
Keyword(s):  
Experimental Data ◽  
Magnetic Properties ◽  
Molecular Beam Epitaxy ◽  
Transition Metal ◽  
Aluminum Nitride ◽  
Room Temperature ◽  
Molecular Beam ◽  
Scientific Literature ◽  
Material Growth ◽  
Metal Group

Aluminum nitride doped with transition metal group atoms as a material for spintronics The overview of scientific literature on electric and magnetic properties of AlN doped with transition metal group atoms is presented. The review is based on literature sources published mainly in the last 10 years. The doping was carried out by different methods: during the material growth (molecular beam epitaxy, magnetron sputtering, discharge techniques) or by implantation into the material. The presented theoretical and experimental data show that AlN doped with transition metal group atoms has ferromagnetic properties at temperatures above room temperature and it is a promising material for spintronics.

scholarly journals Symmetrical Analysis Phonon Modes of Crystal -Ag8SnSe6

2015 ◽  
Vol 16 (2) ◽  
pp. 257-260
Author(s):  
І.V. Semkiv ◽  
А.І. Kashuba ◽  
H.A. Ilchuk ◽  
M.V. Chekaylo
Keyword(s):  
Raman Spectra ◽  
Infrared Spectra ◽  
Room Temperature ◽  
Group Symmetry ◽  
Phonon Modes ◽  
Orthorhombic System ◽  
Space Group Symmetry ◽  
Space Group ◽  
Phonon Spectra

Symmetrical analysis of the phonon spectra of  lowtemperature b¢-phase of crystal Ag8SnSe6 carried out. At the room temperature argyrodite Ag8SnSe6 belong to orthorhombic system with space group symmetry Pmn21. Classification of the main phonon modes of crystal carried out. Clarified selection rules for Raman spectra and infrared spectra.

Are Trust and Reciprocity Related within Individuals?

2013 ◽  
Vol 13 (1) ◽  
pp. 249-270 ◽  
Author(s):  
Tamas Kovacs ◽  
Marc Willinger
Keyword(s):  
Experimental Data ◽  
Strongly Correlated ◽  
Positive Relation ◽  
Strategy Method ◽  
Positive Correlation ◽  
Investment Game ◽  
Trust And Reciprocity ◽  
Within Subjects ◽  
New Evidence

AbstractWe provide new evidence about a positive correlation between the own amount sent and the own amount returned in the investment game. Our analysis relies on the experimental data collected under the strategy method. While the percentage returned is independent of the amount received for most of our subjects, it is strongly correlated to their amount sent as a trustor. Our analysis is based on a two-way classification of subjects: according to their trusting type and according to their reciprocal type. We show the existence of a strong positive relation between trusting types and reciprocal types within subjects.

Uniaxial Ratchetting of Filled Rubber: Experiments and Damage-Coupled Hyper-Viscoelastic-Plastic Constitutive Model

2018 ◽  
Vol 85 (6) ◽  
Author(s):  
Yifu Chen ◽  
Guozheng Kang ◽  
Jianghong Yuan ◽  
Chao Yu
Keyword(s):  
Experimental Data ◽  
Constitutive Model ◽  
Applied Stress ◽  
Stress Level ◽  
Cyclic Deformation ◽  
Room Temperature ◽  
Tensile Deformation ◽  
Accumulated Damage ◽  
Filled Rubber ◽  
Cyclic Tension

A series of stress-controlled uniaxial cyclic tension-unloading tests are discussed to investigate the ratchetting of a filled rubber at room temperature. It is shown that obvious ratchetting occurs and depends apparently on the applied stress level, stress rate, and stress history. Based on the experimental observations, a damage-coupled hyper-viscoelastic-plastic constitutive model is then developed to describe the ratchetting of the filled rubber, which consists of three branches in parallel, i.e., a hyperelastic, a viscoelastic, and a plastic one. The damage is assumed to act equally on three branches and consists of two parts, i.e., the Mullins-type damage caused by the initial tensile deformation and the accumulated damage occurred during the cyclic deformation. The developed model is validated by comparing the predicted results with the experimental data.

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