scholarly journals Complex Materials for Molecular Spintronics Applications: Cobalt Bis(dioxolene) Valence Tautomers, from Molecules to Polymers

2012 ◽  
Vol 116 (43) ◽  
pp. 13141-13148 ◽  
Author(s):  
Arrigo Calzolari ◽  
Yifeng Chen ◽  
Geoffrey F. Lewis ◽  
Daniel B. Dougherty ◽  
David Shultz ◽  
...  
Keyword(s):  
Complex Materials ◽  
Molecular Spintronics ◽  
Valence Tautomers

Transmission electron microscope studies in special ceramics

1978 ◽  
Vol 36 (1) ◽  
pp. 268-269
Author(s):  
A. Zangvil ◽  
L.J. Gauckler ◽  
G. Schneider ◽  
M. Rühle
Keyword(s):  
Phase Diagrams ◽  
Crystal Structures ◽  
Thin Foil ◽  
Limited Extent ◽  
Complex Materials ◽  
X Ray Diffraction ◽  
X Ray ◽  
Transmission Electron ◽  
Electron Microscopes ◽  
Lattice Resolution

The use of high temperature special ceramics which are usually complex materials based on oxides, nitrides, carbides and borides of silicon and aluminum, is critically dependent on their thermomechanical and other physical properties. The investigations of the phase diagrams, crystal structures and microstructural features are essential for better understanding of the macro-properties. Phase diagrams and crystal structures have been studied mainly by X-ray diffraction (XRD). Transmission electron microscopy (TEM) has contributed to this field to a very limited extent; it has been used more extensively in the study of microstructure, phase transformations and lattice defects. Often only TEM can give solutions to numerous problems in the above fields, since the various phases exist in extremely fine grains and subgrain structures; single crystals of appreciable size are often not available. Examples with some of our experimental results from two multicomponent systems are presented here. The standard ion thinning technique was used for the preparation of thin foil samples, which were then investigated with JEOL 200A and Siemens ELMISKOP 102 (for the lattice resolution work) electron microscopes.

Controlling Through-Space and Through-Bond Exchange Pathways in Bis-Cobaltocenes for Molecular Spintronics

2019 ◽  
Author(s):  
Sarah Puhl ◽  
Torben Steenbock ◽  
Carmen Herrmann ◽  
Jürgen Heck
Keyword(s):  
Chemical Synthesis ◽  
First Principles ◽  
Information Transfer ◽  
Spin Coupling ◽  
Molecular Spintronics ◽  
Pathways Analysis ◽  
Chemical Strain

Pinching molecules via chemical strain suggests intuitive consequences, such as compression at the pinched site, and clothespin-like opening of other parts of the structure. If this opening affects two spin centers, it should result in reduced communication between them. We show that for a naphthalene-bridged biscobaltocenes with competing through-space and through-bond pathways, the consequences of pinching are far less intuitive: despite the known dominance of through-space interactions, the bridge plays a much larger role for exchange spin coupling than previously assumed. Based on a combination of chemical synthesis, structural, magnetic and redox characterization, and a newly developed first-principles theoretical pathways analysis, we can suggest a comprehensive explanation for this nonintuitive behavior. These results are of interest for molecular spintronics, as naphthalene-linked cobaltocenes can form wires on surfaces for potential spin-only information transfer.

Professional risk in processing processes complex (review of literature)

2020 ◽  
pp. 29-37
Author(s):  
L. Mavrina ◽  
E. Shaikhlislamova ◽  
I. Khasanova ◽  
L. Karimova ◽  
N. Muldasheva ◽  
...  
Keyword(s):  
Working Conditions ◽  
Urgent Problem ◽  
Review Of Literature ◽  
Complex Materials ◽  
Work Analysis ◽  
Production Factors ◽  
Bibliographic Data ◽  
Industrial Injuries ◽  
The Impact ◽  
Safe Working

The relevance of the problem. Ensuring safe working conditions is currently an urgent problem of our time. Purpose of work. Analysis of bibliographic data on issues of occupational risk, industrial injuries among workers of the processing complex. Materials and methods. To achieve this goal, materials related to this topic were studied in the works of domestic and foreign scientists. Results. A lot of scientific works are devoted to the problem of assessing professional risk in the production of a processing complex. Modern research has proved that risk assessment is one of the main methods for analyzing the impact of various production factors on an employee. Conclusion Occupational morbidity and industrial injuries are a consequence of unsatisfactory conditions and labor protection in enterprises.

scholarly journals Combining simulations and experiments for the molecular engineering of multifunctional collagen mimetic peptide-based materials

Soft Matter ◽  
2021 ◽  
Author(s):  
Amber Hilderbrand ◽  
Phillip Taylor ◽  
Francesca Stanzione ◽  
Mark LaRue ◽  
Guo Chen ◽  
...  
Keyword(s):  
Amino Acid ◽  
Molecular Engineering ◽  
Complex Materials ◽  
Mimetic Peptide ◽  
Synergistic Approach ◽  
The Creation

Assembling peptides allow the creation of structurally complex materials, where amino acid selection influences resulting properties. We present a synergistic approach of experiments and simulations for examining the influence of...

scholarly journals Free Energy of Metals from Quasi-Harmonic Models of Thermal Disorder

Metals ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 195
Author(s):  
Pavel A. Korzhavyi ◽  
Jing Zhang
Keyword(s):  
Free Energy ◽  
First Principles ◽  
Density Functional ◽  
Helmholtz Free Energy ◽  
Complex Materials ◽  
Predictive Capability ◽  
Temperature Dependent ◽  
Disordered Alloys ◽  
Thermal Disorder ◽  
Structure Calculations

A simple modeling method to extend first-principles electronic structure calculations to finite temperatures is presented. The method is applicable to crystalline solids exhibiting complex thermal disorder and employs quasi-harmonic models to represent the vibrational and magnetic free energy contributions. The main outcome is the Helmholtz free energy, calculated as a function of volume and temperature, from which the other related thermophysical properties (such as temperature-dependent lattice and elastic constants) can be derived. Our test calculations for Fe, Ni, Ti, and W metals in the paramagnetic state at temperatures of up to 1600 K show that the predictive capability of the quasi-harmonic modeling approach is mainly limited by the electron density functional approximation used and, in the second place, by the neglect of higher-order anharmonic effects. The developed methodology is equally applicable to disordered alloys and ordered compounds and can therefore be useful in modeling realistically complex materials.

scholarly journals Unified mechanistic interpretation of amine-assisted silica synthesis methods to enable design of more complex materials

2021 ◽  
Author(s):  
Joseph R. H. Manning ◽  
Carlos Brambila ◽  
Siddharth V. Patwardhan
Keyword(s):  
Synthesis Methods ◽  
Complex Materials ◽  
Silica Synthesis

We present ‘joined-up’ thinking for several families of porous silicas; the mechanistic insights gained can help design structurally complex materials.

scholarly journals High carrier mobility and ultralow thermal conductivity in the synthetic layered superlattice Sn4Bi10Se19

2021 ◽  
Author(s):  
Ruiming Lu ◽  
Alan Olvera ◽  
Trevor Bailey ◽  
Jiefei Fu ◽  
Xianli Su ◽  
...  
Keyword(s):  
Thermal Conductivity ◽  
Crystal Lattice ◽  
Carrier Mobility ◽  
Complex Materials ◽  
High Carrier Mobility ◽  
High Carrier

The integration within the same crystal lattice of two or more structurally and chemically distinct building units enables the design of complex materials featuring the coexistence of dissimilar functionalities. Here...

Observation of Discrete Valence Tautomers in Crystalline Cyclopentadienyl Radicals

2021 ◽  
Author(s):  
Yannick Schulte ◽  
Blaise L. Geoghegan ◽  
Christoph Helling ◽  
Christoph Wölper ◽  
Gebhard Haberhauer ◽  
...  
Keyword(s):  
Valence Tautomers

scholarly journals 3D printing of bacteria into functional complex materials

2017 ◽  
Vol 3 (12) ◽  
pp. eaao6804 ◽  
Author(s):  
Manuel Schaffner ◽  
Patrick A. Rühs ◽  
Fergal Coulter ◽  
Samuel Kilcher ◽  
André R. Studart
Keyword(s):  
3D Printing ◽  
Complex Materials ◽  
Functional Complex

The Preparation of Submicron Precision Cross Sections by Dimpling With A ‘Flatting Tool’

1997 ◽  
Vol 480 ◽  
Author(s):  
Helen L. Humiston
Keyword(s):  
Cross Section ◽  
Cross Sections ◽  
Microstructural Analysis ◽  
Complex Materials ◽  
Ion Milling ◽  
Step Procedure ◽  
Simple Step ◽  
Primary Advantage ◽  
Preparation Techniques ◽  
Support Grid

AbstractThe complex materials systems in VLSI devices require specialized preparation techniques for TEM microstructural analysis. For this purpose, it is desirable to obtain electron transparency in all material layers from the oxides used in dielectrics to refractory metals such as tungsten. The primary advantage of dimpling these materials is that ideal specimens are obtained for low angle ion milling. By dimpling both sides of the cross section with a padded flatting tool, a thicker specimen of 130μm at the outer rim of the 3mm disc is produced that narrows to the 125nm thickness fringes in the center. These samples do not require a copper support grid, thereby allowing for a lower milling angle of 2.5 degrees on both sides of the specimen. This technique provides a cross section that is electron transparent in all layers without the loss of oxides due to differential thinning rates of various materials at higher milling angles.It is generally thought that precision thinning through a submicron feature is not possible on the dimpler. However, a simple step-by-step procedure for this technique will be demonstrated and discussed.

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