Understanding Structure and Electronic Properties of Extended Self-Interstitial Defects in Silicon

1998 ◽  
Vol 538 ◽  
Author(s):  
P. Alippi ◽  
L. Colombo
Keyword(s):  
Electronic Properties ◽  
Tight Binding ◽  
Structural Features ◽  
Dynamics Simulation ◽  
Formation Mechanisms ◽  
Equilibrium Configurations ◽  
Formation Energies ◽  
Atomic Stress

AbstractThe results of an atomistic investigation on the coalescence mechanisms of self-interstitial {311} defects are presented. Formation energies and equilibrium configurations of defect structures are determined by tight-binding molecular dynamics simulation. We focus on the characterization of the lattice strain field around the defect complex: By means of the determination of the atomic stress distribution, we discuss how it may influence the formation mechanisms of the planar {311} structures. We also attempt a correlation between structural features and electronic properties through the analysis of defect-related orbitals occupations and inverse participation ratios.

scholarly journals New sorbents for electrochromatography based on polymer-inorganic dielectric composites

2021 ◽  
Vol 2103 (1) ◽  
pp. 012124
Author(s):  
A Y Shmykov ◽  
S V Mjakin ◽  
N A Bubis ◽  
L M Kuztetzov ◽  
N A Esikova ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Filler Content ◽  
Structural Features ◽  
Polymer Binder ◽  
Dielectric Losses ◽  
Infinite Cluster ◽  
Confocal Scanning ◽  
Scanning Electron

Abstract Oligomeric diisocyanate based coatings with different contents of barium titanate (BaTiO3) submicron sized particles as a ferroelectric filler are synthesized on poly(dimethylsiloxane) (PDMS) supports. The study of thus obtained coatings using confocal scanning electron microscopy allowed the characterization of their morphology and features of BaTiO3 particles distribution in the polymer binder, including the determination of threshold filler contents corresponding to the formation of an infinite cluster, matrix-island and chain-like structures as well as the percolation. Dielectric permittivity and dielectric losses of the composites are measured and studied depending on BaTiO3 filler content and relating structural features.

Defect Induced Amortization in Silicon: A Tight Binding Molecular Dynamics Simulation

1993 ◽  
Vol 321 ◽  
Author(s):  
D. Maric ◽  
L. Colombo
Keyword(s):  
Molecular Dynamics ◽  
Electronic Properties ◽  
Structural Properties ◽  
Crystalline Silicon ◽  
Ion Beam ◽  
Tight Binding ◽  
Dynamics Simulation ◽  
Rapid Quench ◽  
Amorphous Network ◽  
Different Temperatures

ABSTRACTWe present an investigation on the amorphization process of crystalline silicon induced by ion beam bombardment by simulating the insertion of self-interstitials at different temperatures. The simulation is carried out by tight-binding molecular dynamics which allows for a detailed characterization of the chemical bonding and electronic properties of the irradiated samples. The irradiation process consists of two steps: (i) insertion of defects at a constant rate; (ii) annealing of the sample and observation of its structural properties. Thanks to the large size of the simulation cell (up to 276 atoms) we can characterize the amorphous network both on the short-range and Medium-range length scale. Electronic properties are investigated as well and their evolution is monitored during the insertion process. Finally, we present a thorough comparison of the structural properties of the irradiated sample with amorphous silicon as obtained by rapid quench from the Melt.

Preparation, Structure, And Electronic Properties Of Amorphous Gaas By Tight-Binding Molecular Dynamics

1993 ◽  
Vol 321 ◽  
Author(s):  
C. Molteni ◽  
L. Colombo ◽  
L. Miglio
Keyword(s):  
Molecular Dynamics ◽  
First Principles ◽  
Large Scale ◽  
Tight Binding ◽  
Computer Experiment ◽  
Dynamics Simulation ◽  
First Principles Calculations ◽  
Amorphous Network ◽  
Large Scale Simulations

ABSTRACTWe investigate the short-range structural properties of a-GaAs as obtained in a computer experiment based on a tight-binding molecular dynamics simulation. The amorphous configuration is obtained by quenching a liquid sample well equilibrated at T=1600 K. A detailed characterization of the topology and defect distribution of the amorphous network is presented and discussed. The electronic structure of our sample is calculated as well. Finally, we discuss the reliability and transferability of the present computational scheme for large-scale simulations of compound semiconductor materials by comparing our results to first-principles calculations.

Defect Induced Amortization in Silicon: A Tight Binding Molecular Dynamics Simulation

1993 ◽  
Vol 316 ◽  
Author(s):  
D. Maric ◽  
L. Colombo
Keyword(s):  
Molecular Dynamics ◽  
Electronic Properties ◽  
Structural Properties ◽  
Crystalline Silicon ◽  
Ion Beam ◽  
Tight Binding ◽  
Dynamics Simulation ◽  
Rapid Quench ◽  
Amorphous Network ◽  
Different Temperatures

ABSTRACTWe present an investigation on the amorphization process of crystalline silicon induced by ion beam bombardment by simulating the insertion of self-interstitials at different temperatures. The simulation is carried out by tight-binding molecular dynamics which allows for a detailed characterization of the chemical bonding and electronic properties of the irradiated samples. The irradiation process consists of two steps: (i) insertion of defects at a constant rate; (ii) annealing of the sample and observation of its structural properties. Thanks to the large size of the simulation cell (up to 276 atoms) we can characterize the amorphous network both on the short-range and medium-range length scale. Electronic properties are investigated as well and their evolution is monitored during the insertion process. Finally, we present a thorough comparison of the structural properties of the irradiated sample with amorphous silicon as obtained by rapid quench from the melt.

The Determination of Optoelectronic Properties of Microcrystalline andAmorphous Silicon Films

2001 ◽  
Vol 664 ◽  
Author(s):  
Marinus Kunst ◽  
Susanne von Aichberger ◽  
Wilhelm Thom ◽  
Frank Wünsch
Keyword(s):  
Electronic Properties ◽  
Optoelectronic Properties ◽  
Silicon Films ◽  
Hot Wire ◽  
Laser Crystallization ◽  
Carrier Trapping ◽  
Transient Photoconductivity ◽  
Si Films

ABSTRACTThe study and characterization of the (opto)electronic properties of a-Si:H and µSi filmsby contactless transient photoconductivity measurements is presented. The importance ofminority carrier trapping is shown for the example of a-Si:H films prepared with different dopinglevels. It is shown that the microwave mobility determined by these measurements is a versatiletool for the characterization of the films. Examples are given by the study of µ Si filmsproduced by laser crystallization of a-Si:H films and the optimization of the substratetemperature for the Hot Wire deposition of µ Si films.

Obsidian Sources in Guatemala: A Regional Approach

1978 ◽  
Vol 43 (3) ◽  
pp. 424-435 ◽  
Author(s):  
Luis Hurtado de Mendoza ◽  
William A. Jester
Keyword(s):  
Structural Features ◽  
Trade Routes ◽  
Geochemical Characterization ◽  
Regional Basis ◽  
Prehistoric Trade ◽  
Sociocultural Systems ◽  
Obsidian Source ◽  
Diverse Source

Geologic sources of obsidian are frequently treated in the archaeological literature as single, discrete flows, each being recognized as a different source as long as it can be geographically isolated. However, some recent studies show a tendency toward the correction of this misconception, and toward defining operationally the obsidian source concept on a regional basis. This work is intended to help achieve such definition for a number of obsidian sources in the central highlands of Guatemala. Geochemical characterization of samples from diverse source localities, attained by means of neutron activation analysis, is utilized for this purpose. The information thus obtained has importance to a number of fields of research in archaeology. To the now-routine studies on prehistoric trade routes, other lines of investigation can be added, namely the determination of source-specific obsidian hydration rates for dating purposes, and the reconstruction of structural features in sociocultural systems.

Skeletal elements of crinoid echinoderms: High-resolution structural and microanalytical results

1983 ◽  
Vol 41 ◽  
pp. 194-195
Author(s):  
D. F. Blake ◽  
L. F. Allard ◽  
D. R. Peacor
Keyword(s):  
High Resolution ◽  
Marine Invertebrates ◽  
Sea Urchins ◽  
Structural Features ◽  
Sea Stars ◽  
High Resolution Tem ◽  
Relationship Of ◽  
The Relationship ◽  
Insight Into

Echinodermata is a phylum of marine invertebrates which has been extant since Cambrian time (c.a. 500 m.y. before the present). Modern examples of echinoderms include sea urchins, sea stars, and sea lilies (crinoids). The endoskeletons of echinoderms are composed of plates or ossicles (Fig. 1) which are with few exceptions, porous, single crystals of high-magnesian calcite. Despite their single crystal nature, fracture surfaces do not exhibit the near-perfect {10.4} cleavage characteristic of inorganic calcite. This paradoxical mix of biogenic and inorganic features has prompted much recent work on echinoderm skeletal crystallography. Furthermore, fossil echinoderm hard parts comprise a volumetrically significant portion of some marine limestones sequences. The ultrastructural and microchemical characterization of modern skeletal material should lend insight into: 1). The nature of the biogenic processes involved, for example, the relationship of Mg heterogeneity to morphological and structural features in modern echinoderm material, and 2). The nature of the diagenetic changes undergone by their ancient, fossilized counterparts. In this study, high resolution TEM (HRTEM), high voltage TEM (HVTEM), and STEM microanalysis are used to characterize tha ultrastructural and microchemical composition of skeletal elements of the modern crinoid Neocrinus blakei.

Ultrastructural identification of three types of sensory setae on copepod antennae

1995 ◽  
Vol 53 ◽  
pp. 956-957
Author(s):  
T. M. Weatherby ◽  
P.H. Lenz
Keyword(s):  
Phase Locking ◽  
Membrane Surface ◽  
Reaction Times ◽  
High Sensitivity ◽  
Structural Features ◽  
Calanoid Copepods ◽  
Marine Food Webs ◽  
Dendritic Membrane ◽  
Ultrastructural Characterization

Crustaceans, as well as other arthropods, are covered with sensory setae and hairs, including mechanoand chemosensory sensillae with a ciliary origin. Calanoid copepods are small planktonic crustaceans forming a major link in marine food webs. In conjunction with behavioral and physiological studies of the antennae of calanoids, we undertook the ultrastructural characterization of sensory setae on the antennae of Pleuromamma xiphias.Distal mechanoreceptive setae exhibit exceptional behavioral and physiological performance characteristics: high sensitivity (<10 nm displacements), fast reaction times (<1 msec latency) and phase locking to high frequencies (1-2 kHz). Unusual structural features of the mechanoreceptors are likely to be related to their physiological sensitivity. These features include a large number (up to 3000) of microtubules in each sensory cell dendrite, arising from or anchored to electron dense rods associated with the ciliary basal body microtubule doublets. The microtubules are arranged in a regular array, with bridges between and within rows. These bundles of microtubules extend far into each mechanoreceptive seta and terminate in a staggered fashion along the dendritic membrane, contacting a large membrane surface area and providing a large potential site of mechanotransduction.

Quantitative nano-characterization of heterogeneous catalysts

1995 ◽  
Vol 53 ◽  
pp. 398-399
Author(s):  
P.A. Crozier ◽  
M. Pan
Keyword(s):  
Heterogeneous Catalysts ◽  
Low Dose ◽  
Imaging Techniques ◽  
Structural Features ◽  
Catalyst Characterization ◽  
New Developments ◽  
Double Phase ◽  
Phase Systems ◽  
Dose Imaging

Heterogeneous catalysts can be of varying complexity ranging from single or double phase systems to complicated mixtures of metals and oxides with additives to help promote chemical reactions, extend the life of the catalysts, prevent poisoning etc. Although catalysis occurs on the surface of most systems, detailed descriptions of the microstructure and chemistry of catalysts can be helpful for developing an understanding of the mechanism by which a catalyst facilitates a reaction. Recent years have seen continued development and improvement of various TEM, STEM and AEM techniques for yielding information on the structure and chemistry of catalysts on the nanometer scale. Here we review some quantitative approaches to catalyst characterization that have resulted from new developments in instrumentation.HREM has been used to examine structural features of catalysts often by employing profile imaging techniques to study atomic details on the surface. Digital recording techniques employing slow-scan CCD cameras have facilitated the use of low-dose imaging in zeolite structure analysis and electron crystallography. Fig. la shows a low-dose image from SSZ-33 zeolite revealing the presence of a stacking fault.

DETERMINATION OF THE TYPE OF A SINGLE-USE GRENADE LAUNCHER BASED ON ITS COMPOSITE PARTS AND FRAGMENTS OF REACTIVE GRENADE FOUND AT THE PLACE OF ACCIDENT

2017 ◽  
Vol 17 ◽  
pp. 245-252
Author(s):  
V. V. Somov
Keyword(s):  
Combustion Chamber ◽  
Structural Features ◽  
Outlet Section ◽  
Technical Expertise ◽  
Jet Engine ◽  
Size Ofthe ◽  
Single Use ◽  
Nozzle Block ◽  
Considerable Damage

In carrying out an investigation into the explosion, among others, the investigative version of the use of a single-use reactive grenade launcher is being considered. The most common for criminal explosions are applied grenade launchers RPG-18, RPG-22, RPG-26. Their use is due to a number of such properties as small size and weight, which makes it possible to transfer them covertly, the range of the shot significantly exceeding the range of the hand grenade throw, the high detonating effect of the rocket grenade explosion. The single-use rocket launchers are generally of the same design. Their differences are in the features of the components construction and dimensional characteristics, which are given in the article. On the basis of expert practice, details ofgrenade launchers that remain at the site of the explosion and have the least damage are determined. These details are the objects of investigation of the explosion technical expertise. These objects include launchers of grenade launchers and rocket parts ofjet grenades. The design features of the launchers, their dimensional characteristics and marking symbols make it possible to determine their belonging to a specific type of jet grenade launchers. Missile parts of jet grenades differ in the form of the combustion chamber of the jet engine, nozzle, in the size ofthe outlet section of the nozzle, in the form and size of the stabilizerfeathers. To determine the belonging of the rocket part of the grenade to a specific type ofjet grenade launcher, it’s necessary to establish a set of structural features and dimensional characteristics. At considerable damage of the combustion chamber of the jet engine, as a rule, the nozzle block remains intact that allows to define diameter of critical section of a nozzle, and on it to establish type of the used single-use grenade launcher.

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