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MATERIALS SCIENCE
RESEARCH TRENDS
MATERIALS SCIENCE
RESEARCH TRENDS

LAWRENCE V. OLIVANTE
Editor

Nova Science Publishers, Inc.

New York
Copyright © 2008 by Nova Science Publishers, Inc.

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NOTICE TO THE READER

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contained in this publication.

This publication is designed to provide accurate and authoritative information with regard to the
subject matter covered herein. It is sold with the clear understanding that the Publisher is not
engaged in rendering legal or any other professional services. If legal or any other expert
assistance is required, the services of a competent person should be sought. FROM A
DECLARATION OF PARTICIPANTS JOINTLY ADOPTED BY A COMMITTEE OF THE
AMERICAN BAR ASSOCIATION AND A COMMITTEE OF PUBLISHERS.

Library of Congress Cataloging-in-Publication Data

Materials science research trends / Lawrence V. Olivante, editor.

p. cm.
Includes index.
ISBN-13: 978-1-60692-453-2
1. Materials science. I. Olivante, Lawrence V.
TA403.M34717 2006
620.1'1--dc22
2007011010

Published by Nova Science Publishers, Inc. New York

 CONTENTS

Preface vii

Expert Commentary 1

Effect of Aging Treatments on Severely Deformed Microstructure

of Different Al-Mg-Si Alloys 3
Emanuela Cerri, Paola Leo and H. J.Roven

Research and Review Studies 15

Chapter 1 P-Type Transparent Semiconducting Delafossite CuAlO2+x

Thin Film: Promising Material for Optoelectronic Devices
and Field-Emission Displays 17
Arghya N. Banerjee and Kalyan K. Chattopadhyay

Chapter 2 Atomistic Analysis of Crystal Plasticity in a Copper Nanowire

during Tensile Loading 133
R. S. McEntire and Y. L. Shen

Chapter 3 Advances in Materials Engineering Using State-of-the-Art

Microstructural Characterization Tools 151
Jian Li

Chapter 4 High-Rate and Low-Temperature Film Growth Technology

Using Stable Glow Plasma at Atmospheric Pressure 197
Hiroaki Kakiuchi, Hiromasa Ohmi and Kiyoshi Yasutake

Chapter 5 Overview of Β-Al5FeSi Phase in Al-Si Alloys 251

M. Mahta, M. Emamy, X. Cao and J. Campbell

Chapter 6 Superselection Rules Induced by Infrared Divergence 273

Joachim Kupsch

Chapter 7 Microstructure Evolution and Electronic Transport in

Ultra Thin Al Films 293
Niraj Joshi, A. K. Debnath, D. K. Aswal, S. K. Gupta and J. V. Yakhmi
vi Contents

Chapter 8 The Double Ignition Maps for Combustion-Synthesizing

NiAl Compounds 321
Hung-Pin Li

Index 341
 PREFACE
Materials science includes those parts of chemistry and physics that deal with the
properties of materials. It encompasses four classes of materials, the study of each of which
may be considered a separate field: metals; ceramics; polymers and composites. Materials
science is often referred to as materials science and engineering because it has many
applications. Industrial applications of materials science include processing techniques
(casting, rolling, welding, ion implantation, crystal growth, thin-film deposition, sintering,
glassblowing, etc.), analytical techniques (electron microscopy, x-ray diffraction, calorimetry,
nuclear microscopy (HEFIB) etc.), materials design, and cost/benefit tradeoffs in industrial
production of materials. This new book presents new leading-edge research in the field.
Chapter 1 - Copper based delafossite transparent semiconducting oxide thin films have
recently gained tremendous interest in the field of optoelectronic technology, after the
discovery of p-type conductivity in a transparent thin film of copper aluminum oxide
(CuAlO2). Most of the well-known and widely used transparent conducting oxide thin films
such as ZnO, SnO2, ITO etc. and their doped versions are n-type material, but corresponding
p-type transparent conducting oxides were surprisingly missing for a long time until the
fabrication of above-mentioned p-CuAlO2 thin film have been published (Nature 1997, 389,
939). This has opened up a new field in opto-electronics device technology, the so-called
“Transparent Electronics”, where a combination of the two types of transparent conducting
oxides in the form of a p-n junction could lead to a ‘functional’ window, which transmits
visible portion of solar radiation yet generates electricity by the absorption of UV part of it.
Non-stoichiometric and doped versions of various new types of p-type transparent conducting
oxides with improved optical and electrical properties have been synthesized in the last few
years in this direction. Wide range of deposition techniques have been adopted to prepare the
films. But fabrication of device quality films by cost-effective deposition techniques such as
sputtering, chemical vapor deposition, wet-chemical dip-coating technique etc. are the need of
the hour for large-scale production of these films for diverse device applications. Here the
authors have discussed the fabrication and opto-electrical characterization of p-CuAlO2+x thin
films by cost-effective and scaleable deposition routes such as sputtering and wet-chemical
dip-coating technique. The authors have also discussed briefly some of the new developments
in the field of p-type transparent conducting oxide thin film technology and an up-to-date and
comprehensive description of different Cu-based p-type transparent conducting oxide thin
films is presented. Also the origin of p-type conductivity in these transparent oxides has been
dealt with considerable attention. Fabrication of all-transparent junctions is also discussed
which is most important in the development of ‘Transparent Electronics’. Field emission
viii Mario B. Olivante

properties of thin films are currently of much interest due to the potential application in field
emission displays (FEDs), which are considered to be strong candidate for low-power panel
applications. The low-threshold field emission properties of wide-bandgap CuAlO2 thin films
have been investigated for its potential applications in FED technology. The films showed
considerable low turn-on field. This finding might open up a new direction in the field-
emission technology, and a new group of materials (such as, different transparent conducting
oxides) might become a promising candidate for low-threshold field emitter. Also, recently,
the research on nanostructured materials generates great interest in the scientific community
and offers tremendous opportunities in the field of science and technology. Here, the authors
have also discussed in brief, the formation of nanocrystalline p-CuAlO2 films, which may
open up an extremely important and interesting field of research for the fabrication of all-
transparent nano-active devices. This will not only give a new dimension in the field of
‘Transparent Electronics’, but new avenues may open up in the nanoparticle research keeping
an eye on its tremendous applications in optoelectronics technology.
Chapter 2 - Plastic deformation in a copper crystal is modeled using three dimensional
atomistic simulations. The primary objective is to gain fundamental insight into the
deformation features in face-centered-cubic materials in the form of a nanowire under tensile
loading. An initial defect is utilized in the molecular statics model to trigger plasticity in a
controlled manner. A parametric study is then performed by varying the atomic interaction
range for the Morse interatomic potential used in the model. The simulation parameters are
employed such that dislocation slip behavior and/or phase transformation can be observed
without the influence of an unstable surface state of the specimen. The authors focus on
tensile loading along a low-symmetry orientation where single slip prevails upon yielding.
When the interaction distance is small, slip is seen to be the dominant deformation
mechanism. A slight increase in the interaction range results in phase transition from the FCC
structure to a BCC structure. Re-orientation of the BCC lattice also occurs at later stages of
the deformation via a twinning operation. The phase transition mechanism is further enhanced
if the nanowire is attached to a flat substrate parallel to the initial close-packed plane. The
mechanisms of dislocation evolution, phase transformation, and crystal re-orientation features
are discussed.
Chapter 3 - Progress in materials science and engineering is closely related to material
characterization. Materials performance is highly dependent on its microstructure.
Microstructural characterization has long surpassed the optical microscopy era. Advanced
techniques including scanning electron microscopy (SEM) and transmission electron
microscopy (TEM) have been well integrated into routine characterization excises. Other
microscopy techniques like electron probe microanalyzer, Auger, X-ray photon spectroscopy
(XPS) and secondary ion mass spectroscopy (SIMS) are also well recognized in the past
years. In recent years, the focused ion beam (FIB) microscope has gradually evolved into an
important microstructure characterization instrument. The combination of high-resolution
imaging and stress-free site-specific cross sectioning provides valuable microstructure
information both at the specimen surface and beneath. In addition, FIB techniques are often
the preferred method to prepare TEM specimens, which, in many circumstances, are
impossible to make by any other conventional methods. In this chapter, various FIB
microscopy applications in microstructural characterizations will be discussed using practical
examples in the authors recent research.
 Preface ix

Chapter 4 - To fabricate high-quality functional thin films at very high deposition rates on
large-sized substrates, the authors have proposed an atmospheric-pressure plasma chemical
vapor deposition (AP-PCVD) technique. In the AP-PCVD process, stable glow plasma of gas
mixtures containing carrier gases and source gases is generated at atmospheric pressure, and
is effectively used to deposit thin films. Since the partial pressure of source gases can be high,
the deposition rate is significantly increased. In the AP-PCVD system, combination of the
rotary electrode and 150-MHz very high frequency (VHF) power supply makes it possible not
only to stably generate high-density atmospheric-pressure plasma but also to suppress ion
impingement upon the film surface. The AP-PCVD system equips a gas circulation system
connected with the reaction chamber for efficiently collecting and removing particles that
float around the plasma region. By virtue of these noble characteristics of the system, it has
become possible to fabricate high quality films at extremely high deposition rates.
In this article, the basic concept and principle of the AP-PCVD technique are described
first. Then, some of the fundamental research results on the property of atmospheric-pressure
plasma and the elemental technologies for the AP-PCVD system are given. To evaluate the
performance of the AP-PCVD system, the authors have deposited silicon (Si) films using
silane (SiH4) diluted with hydrogen (H2) and helium. The deposition rate, morphology, and
structural and electrical properties of the deposited Si films are discussed as functions of the
deposition parameters, such as VHF power, SiH4 and H2 concentrations, and substrate
temperature. The results show that homogeneous amorphous Si films having smooth surface
and cross-sectional morphology can be successfully formed at unprecedented high rates.
When the ratio of H2 to SiH4 and/or the substrate temperature is increased, polycrystalline and
single crystalline films grow on a variety of substrate materials, such as Si and SiO2, even at
temperatures lower than in conventional deposition techniques. It is shown that the VHF
power is a very important deposition parameter, which dominates the dissociation of SiH4
molecules and the structural relaxation of a growing film. Note that the plasma gas
temperature, including rotational and vibrational temperatures of molecules, and high-density
atomic hydrogen in the atmospheric-pressure plasma can supply considerable physical and
chemical energies to the film-growing surface, enhancing the film-forming reactions even at
low temperatures.
Chapter 5 - In aluminum alloys one of the most pervasive and important impurity
elements is iron, stemming from the impurities in bauxite ores and the contamination of
ferrous metals such as melting tools. Since iron has a very low solid solubility in aluminum
(max. 0.05%), almost all iron in aluminum alloys is present in the form of second
intermetallic phases. One of the most common Fe-rich intermetallics that form in cast and
wrought aluminum alloys upon solidification is the β-Al5FeSi phase. This phase has long
been thought to be brittle and responsible for the inferior mechanical properties (in particular
ductility) of aluminum cast alloys. The commonly accepted method to ameliorate the harmful
influence of iron is the addition of one or more corrective elements. Such additions generally
convert the β-Fe platelets into α-Fe dendrites. Various studies have been carried out by
researchers on the modification of β-Al5FeSi intermetallics in aluminum alloys using Mn, Cr,
Co, Mg, Sr, Li and Be. The relative effectiveness of these elements is collected and compared
in the present review. The mechanisms for the action of the chemical modifiers are critically
reviewed particularly in the light of the modern theory of their nucleation on oxide films
present in aluminum melts, probably in large populations. The new insights into the Fe-rich
phase in aluminum alloys will aid in better understanding the role of iron in aluminum alloys.
x Mario B. Olivante

Chapter 6 - Superselection rules induced by the interaction with a mass zero Boson field
are investigated for a class of exactly soluble Hamiltonian models. The calculations apply as
well to discrete as to continuous superselection rules. The initial state (reference state) of the
Boson field is either a normal state or a KMS state. The superselection sectors emerge if and
only if the Boson field is infrared divergent, i. e. the bare photon number diverges and the
ground state of the Boson field disappears in the continuum. The time scale of the
decoherence depends on the strength of the infrared contributions of the interaction and on
properties of the initial state of the Boson system. These results are first derived for a
Hamiltonian with conservation laws. But in the most general case the Hamiltonian includes
an additional scattering potential, and the only conserved quantity is the energy of the total
system. The superselection sectors are stable against the perturbation by the scattering
processes.
Chapter 7 - The microstructure evolution of ultra-thin Al films deposited on Si and SiO2
substrates using molecular beam epitaxy (MBE) and, the effect of microstructure on
electronic properties has been studied. First, the authors present a literature review on the
“microstructure formation phenomena” and “structure zone model” for metallic films and,
various existing theoretical models to explain electronic transport in these films. The authors
present a systematic study on the evolution of microstructure in ultra-thin Al films on Si as a
function of: (i) Film thickness: film thickness is varied between 10 and 200 nm, while
keeping deposition temperature to a fix value; (ii) Deposition temperature: films are insitu
deposited at different temperature between 25 and 600°C, while keeping thickness fixed; (iii)
Post-annealing: annealing the room temperature deposited at higher temperature under UHV
conditions.
The results reveal that in-situ deposited films grow in a columnar structure, forming a
random 2D network of islands. The low temperature electrical transport in these films could
not be accounted by the existing theoretical models. The authors have found that the charge
conduction is governed by 2D variable range hopping mechanism. The coalescence of
columnar Al islands is found to take place at a critical thickness, and this thickness is found to
anomalously increase with increasing deposition temperature and the authors have proposed
an explanation for this phenomenon. Post-annealing of films leads to the normal and
abnormal growth, owing to the grain boundary migration. On SiO2 substrates, the Al film
picks up oxygen during in-situ deposition at elevated temperature as well as during post-
annealing process, leading to the formation of Al2O3 at the grain boundaries.
Chapter 8 - Combustion synthesis is a novel processing technique in which the
compacted powders are first ignited by an external heating source to induce the chemical
reaction inside the heated materials. Propagation of a combustion front during Ni-Al unstable
combustion synthesis often extinguishes in the half way, due to the lower exothermic heat of
the metallic reactions. To facilitate the combustion front to propagate completely, the reaction
is always ignited again during the experimental demonstration. In this numerical study, the
different second ignition positions in the combusted region, the reacting region, and the pre-
heating region as well as the different second ignition times before and after the stop of the
first combustion front are chosen to study the effect of the second ignition. The second
ignition position and time are found to influence the subsequent temperature profiles. The
stable propagation is observed as the reaction is ignited again in the reacting region. When the
reaction is ignited secondly in the combusted region or the pre-heating region, part of the
specimens cannot be synthesized at the theoretical combustion temperature due to low
 Preface xi

combustion temperature. In addition, the combustion temperature may be significantly

enhanced for some area, and results in heterogeneous microstructure. Delay of the second
ignition time is also found to increase the initial propagation velocity of the new combustion
front. From the results generated in this study, the process map of double ignitions is
established. The process map provides appropriate double-ignition circumstances to
propagate the combustion front completely and achieve homogeneous microstructure product.
EXPERT COMMENTARY
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