A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters

This paper reports the results of experimental research of the effect of strain-restriction conditions on the structure and properties of sulfoaluminate expanding cementitious materials. Theoretical analysis of the development of pattern formation processes is performed by applying the developed rheological model, illustrating features of the kinetics of structure-forming processes according to the ratio of the potential index of extension with linear, flat and volumetric limitation of deformations of the extension. The results show that rheological model adequately correlates with the results of experimental studies and can be described mathematically. Found that with the volume limitation of deformations arising when mixing crystallographic phases with high density and strength, the pore structure of the cement stone contains mainly gel pores. This is the main prerequisite for obtaining a dense, high-strength and durable structure of cement stone and concrete on its basis.

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Study of Structure and Properties of New Rolling-Cut Shear

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.146-147.991 ◽

2010 ◽

Vol 146-147 ◽

pp. 991-995

Author(s):

Zhi Bing Chu ◽

Qing Xue Huang ◽

Zhi Yuan Zhang ◽

Dan Li

Keyword(s):

Theoretical Analysis ◽

Shear Force ◽

Motion Path ◽

Negative Bias ◽

Horizontal Force ◽

Structure And Properties ◽

Force Component ◽

Shear Forces ◽

Maximum Shear Force ◽

Force Components

Based on rolling-cut shear simulation, using a kind of single-shaft and double eccentricity rolling-cut shear, which adopts a new structure of asymmetric feature and negative bias, as the calculating model by establishing motion path equation of spatial shear mechanism, comparing with the steel shear forces, link forces and horizontal link force components with or without asymmetric feature, the asymmetric formulation is deduced. Such asymmetric crank structure can decrease horizontal force component between the linkages during rolling-cut process, increase the effective drive force on links while it comes to the maximum shear force, and decrease the extrusion of blade arc on steel edge as well. Theoretical analysis and steel-shearing quality at site indicate that asymmetric and negative bias is an important and efficient way to prolong the lifetime of blade, decrease blade wear, improve shearing quality, and maintain the constant clearance between blades.

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Theoretical Analysis of the CO Oxidation Process on Neutral and Single Ionized Au18 Clusters

MRS Proceedings ◽

10.1557/proc-1217-y03-18 ◽

2009 ◽

Vol 1217 ◽

Author(s):

Jorge Castro ◽

Jorge Soto ◽

Bertha Molina ◽

Alipio Calles

Keyword(s):

Theoretical Analysis ◽

Co Oxidation ◽

Oxidation Process ◽

Gold Cluster ◽

Oxidation Mechanism ◽

Local Maximum ◽

Binding Energies ◽

Stable Isomer ◽

Au Nanoclusters ◽

Experimental Values

AbstractExperiments on the reactivity of CO for Au nanoclusters have shown a local maximum in the adsorption of the first molecule for Au18 and its cation, whereas O2 adsorption has been observed in Au18-1. In this work we present a theoretical analysis of the preferential sites for the adsorption of the CO and O2 molecules on neutral and single ionized Au18 clusters with C2v symmetry, which has been shown both theoretical and experimentally, to be the most stable isomer of the Au18 cluster. We report the results of the calculation for the binding energies of CO and O2 for non-equivalent sites and compare with the available experimental values. The oxidation mechanism is studied in first instance by the subsequent adsorption of the CO on the O2 molecule, which was previously adsorbed on the respective gold cluster. The study is based on a DFT-GGA calculation with the PW91 functional.

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Theoretical analysis on the structure and properties of thiourea dioxide crystal

Molecular Simulation ◽

10.1080/08927020701504145 ◽

2007 ◽

Vol 33 (12) ◽

pp. 975-978 ◽

Cited By ~ 1

Author(s):

G. Y. Fang ◽

L. n. Xu ◽

X. H. Li ◽

S. Wang ◽

J. J. Lin ◽

...

Keyword(s):

Theoretical Analysis ◽

Structure And Properties ◽

Thiourea Dioxide

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Microdiffraction Patterns of Small Metallic Particles II; Theoretical Analysis

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100055680 ◽

1982 ◽

Vol 40 ◽

pp. 668-669

Author(s):

A. Gómez ◽

P. Schabes-Retchkiman ◽

M. José-Yacamán ◽

T. Ocaña

Keyword(s):

Experimental Data ◽

Electron Diffraction ◽

Theoretical Analysis ◽

Size Range ◽

Dynamical Theory ◽

Metallic Particles ◽

Splitting Effect

The splitting effect that is observed in microdiffraction pat-terns of small metallic particles in the size range 50-500 Å can be understood using the dynamical theory of electron diffraction for the case of a crystal containing a finite wedge. For the experimental data we refer to part I of this work in these proceedings.

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Structure of second phases in TiAl alloys containing Cr and B

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100087197 ◽

1991 ◽

Vol 49 ◽

pp. 576-577

Author(s):

Ernest L. Hall ◽

Shyh-Chin Huang

Keyword(s):

Grain Size ◽

Second Phase ◽

Structure And Properties ◽

Tial Alloys ◽

Second Phases ◽

Interstitial Elements

Addition of interstitial elements to γ-TiAl alloys is currently being explored as a method for improving the properties of these alloys. Previous work in which a number of interstitial elements were studied showed that boron was particularly effective in refining the grain size in castings, and led to enhanced strength while maintaining reasonable ductility. Other investigators have shown that B in γ-TiAl alloys tends to promote the formation of TiB2 as a second phase. In this study, the microstructure of Bcontaining TiAl alloys was examined in detail in order to describe the mechanism by which B alters the structure and properties of these alloys.

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Relationships between hierarchical structure and properties in macromolecular systems

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100126950 ◽

1987 ◽

Vol 45 ◽

pp. 440-443

Author(s):

E. Baer

Keyword(s):

Uniaxial Tension ◽

Hierarchical Structure ◽

Inorganic Material ◽

Hierarchical Structures ◽

Bone Collagen ◽

Structure And Properties ◽

Connective Tissues ◽

Scale Level ◽

Fibrous Protein ◽

Macromolecular Systems

The most advanced macromolecular materials are found in plants and animals, and certainly the connective tissues in mammals are amongst the most advanced macromolecular composites known to mankind. The efficient use of collagen, a fibrous protein, in the design of both soft and hard connective tissues is worthy of comment. Very crudely, in bone collagen serves as a highly efficient binder for the inorganic hydroxyappatite which stiffens the structure. The interactions between the organic fiber of collagen and the inorganic material seem to occur at the nano (scale) level of organization. Epitatic crystallization of the inorganic phase on the fibers has been reported to give a highly anisotropic, stress responsive, structure. Soft connective tissues also have sophisticated oriented hierarchical structures. The collagen fibers are “glued” together by a highly hydrated gel-like proteoglycan matrix. One of the simplest structures of this type is tendon which functions primarily in uniaxial tension as a reinforced elastomeric cable between muscle and bone.

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The Structure and Properties of MoSi2 Thin Film in Mos Process

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s1431927600001379 ◽

1980 ◽

Vol 38 ◽

pp. 326-327

Author(s):

C.K. Wu ◽

P. Chang ◽

N. Godinho

Keyword(s):

Thin Film ◽

Integrated Circuits ◽

High Performance ◽

Large Scale ◽

Process Development ◽

Structure And Properties ◽

Metal Silicides ◽

High Oxidation ◽

Important Approach ◽

High Oxidation Resistance

Recently, the use of refractory metal silicides as low resistivity, high temperature and high oxidation resistance gate materials in large scale integrated circuits (LSI) has become an important approach in advanced MOS process development (1). This research is a systematic study on the structure and properties of molybdenum silicide thin film and its applicability to high performance LSI fabrication.

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