bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrooptic properties of highly oriented Pb(Zr,Ti)O3 film grown on glass substrate using lanthanum nitrate as a buffer layer
Authors: Choi Jong-Jin , Park Gun-Tae , Kim Hyoun-Ee
Published: May 2005

Materials with preferred orientation exhibit unique properties that are frequently improved in comparison with those that are randomly oriented. Optical waveguide devices require high-quality single-crystal–like thin films because of their low optical propagation loss and their near–single-crystal properties. The growth mechanisms of textured films on non-lattice matched amorphous substrates, such as glass, are different from those on single-crystal substrates or the surface of a metal electrode. In this study, highly (100) oriented Pb(Zr,Ti)O3 PZT films were grown on an amorphous substrate by means of the sol-gel multicoating method, using lanthanum nitrate as a buffer layer. The lanthanum nitrate buffer layer was also very effective as a diffusion barrier against Pb-Si interdiffusion. The electrooptic properties of the PZT films were markedly enhanced when their orientation was adjusted to the (100) direction.
Growth of (100) oriented diamond grains by the application of lateral temperature gradients across silicon substrates
Authors: Titus E. , Misra D.S. , Singh Manoj. K. , Tyagi Pawan. K. , Misra Abha , Le Normand F. , Gracio J. , Ali N.
Published: May 2005

Polycrystalline diamond films with a predominant (100) texture were deposited onto silicon substrates using hot-filament chemical vapor deposition. During film deposition, different temperature gradients were created and imposed laterally across the substrate materials. Films grown under a gradient of 100 °C cm−1 displayed large (100) oriented grains. No crystallite (100) orientation was observed in the as-grown films prepared without a temperature gradient. It was observed that the diamond grain size varied as a function of the gradient. The lower gradient resulted in smaller grains and vice versa. Furthermore, the size of the grains was a function of the deposition time. The orientation of the diamond grains changed gradually across the substrate from (100) to (110) orientation as we scanned from the high-temperature to the low-temperature zone. The films were characterized using x-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM), and Fourier transform infrared (FTIR) spectroscopy. XRD showed strong (400) reflections in the oriented samples. SEM results indicated the presence of smooth diamond surfaces consisting of predominantly (100) oriented platelets. As the (100) oriented diamond grains were grown on top of the (100) oriented silicon substrates, the faces were mostly aligned parallel to the substrate surface resulting in the deposition of a smooth diamond surface. AFM observations revealed the presence of steps located at the boundaries of the oriented grains. FTIR results showed the characteristic difference in hydrogen bonding in the oriented samples and gave useful information about mechanisms responsible for the orientation. Quantitative analysis was carried out to measure the H content in the films, and it was found that the oriented films contained less hydrogen. Our findings suggest that high saturation of carbon and a concentration gradient of sp3 CH2 species can be the key factor in the oriented growth of (100) diamond grains.
Study on the anisotropic growth of rod-like Yb α-SiAlON crystals prepared by combustion synthesis
Authors: Liu Guanghua , Chen Kexin , Zhou Heping , Ferreira J.M.F.
Published: May 2005

In this paper, single-phase Yb α-SiAlON powder with rod-like crystals was fabricated by combustion synthesis. The microstructural development of the rod-like α-SiAlON crystals was studied, and anisotropic grain growth was observed. Furthermore, the growth mechanism of the rod-like α-SiAlON crystals was investigated, and the experimental results indicated that during the anisotropic grain growth, the fast growth plane was the basal plane in the hexagonal crystal lattice.
Indenter tip radius effect on the Nix–Gao relation in micro- and nanoindentation hardness experiments
Authors: Qu S. , Huang Y. , Nix W.D. , Jiang H. , Zhang F. , Hwang K.C.
Published: May 2005

Nix and Gao established an important relation between microindentation hardnessand indentation depth. Such a relation has been verified by many microindentation experiments (indentation depths in the micrometer range), but it does not always hold in nanoindentation experiments (indentation depths approaching the nanometer range). We have developed a unified computational model for both micro- and nanoindentation in an effort to understand the breakdown of the Nix–Gao relation at indentation depths approaching the nanometer scale. The unified computational model for indentation accounts for various indenter shapes, including a sharp, conical indenter, a spherical indenter, and a conical indenter with a spherical tip. It is based on the conventional theory of mechanism-based strain gradient plasticity established from the Taylor dislocation model to account for the effect of geometrically necessary dislocations. The unified computational model for indentation indeed shows that the Nix–Gao relation holds in microindentation with a sharp indenter, but it does not hold in nanoindentation due to the indenter tip radius effect.
Transport kinetics of methanol in hydroxyethyl methacrylate homopolymer and its copolymers
Authors: Tsai C-S. , Lee Sanboh , Nguyen Tinh
Published: May 2005

The kinetics of methanol transport in 2-hydroxyethyl methacrylate (HEMA) homopolymer and 75/25 and 50/50 mol fraction HEMA/DHPMA (2,3-dihydroxypropyl methacrylate) copolymers at five different temperatures has been investigated using the sorption experiment technique. A combined case I and case II diffusion model was used to describe the transport processes. Four replicates for each temperature of each material having a nominal thickness of 0.1 mm were immersed in methanol maintained at 35, 40, 45, 50, and 55 °C, and the mass uptake as a function of time was measured gravimetrically. Experimental results are found to be in good agreement with model prediction at all temperatures and for all three materials. Both the diffusion coefficients of case I transport and velocity of case II transport increase with increasing temperature. D values at low temperatures (35 and 40 °C), which are in the 10−9 cm2/s range, of the HEMA homopolymer are less than those of the copolymers. On the other hand, the activation energies of case I transport of the copolymers are substantially higher than those of the HEMA homopolymer; however, the level of DHPMA loading in the copolymer does not seem to affect the activation energy. In addition, thermodynamic heat and free energy of mixing values indicate heat is released when HEMA/DHPMA copolymers are exposed to methanol and that the solvent/copolymer systems exist as a continuous phase. In contrast, the methanol/HEMA homopolymer system exists as separate phases.
Efficacy of HfN as sintering aid in the manufacture of ultrahigh-temperature metal diborides-matrix ceramics
Authors: Monteverde Frédéric , Bellosi Alida
Published: May 2005

HfB2 and (ZrB2 + HfB2)-based ceramics containing 19.5 vol% SiC particulate were developed from commercially available powders by hot-pressing. With the assistance of 3 vol% HfN as sintering aid, after hot-pressing at 1900 °C and 50 MPa of applied pressure, full density in both the composites was successfully achieved. The materials revealed a homogeneous microstructure, characterized by faceted diboride grains(2 μm average size) and SiC particles regularly dispersed. Limited levels of secondary phases were found. The thermomechanical properties of the composites were promising: about 22 GPa microhardness and 500 GPa Young’s modulus for both. The HfB2–SiC composite showed values of strength of 650 ± 50 and 465 ± 40 MPa at 25 and 1500 °C, respectively. Likewise, the (ZrB2–HfB2)–SiC composite exhibited values of strength of 765 ± 20 and 250 ± 45 MPa at 25 and 1500 °C, respectively. The excellent response at high temperature in air was attributed to the refractoriness of the phases constituting the composites and to the resistance to oxidation enhanced by the presence of the SiC particulate.
Nuclei-growth optimization for fine-grained BaTiO3 by precision-controlled mechanical pretreatment of starting powder mixture
Authors: Ando C. , Yanagawa R. , Chazono H. , Kishi H. , Senna M.
Published: May 2005

By a solid-state process, well-crystallized BaTiO3 (BT) particles with their average grain size below 0.2 μm were obtained. Wet and dry mechanical pretreatment processes were combined to obtain fine particulate mixture comprising BaCO3 and TiO2 with the highest possible homogeneity without causing appreciable agglomeration. Degree of homogenization was quantitatively evaluated by different microscopic techniques, in an attempt to optimize nuclei-growth processes. Reaction processes were discussed on the basis of thermal analyses in conjunction with the particulate morphology. The granulometrical and crystallographical properties of the present particulate products are comparable with or even superior to commercially available high-valued products fabricated via a hydrothermal or sol-gel route.
Epitaxial growth of copper nanowire arrays grown on H-terminated Si(110) using glancing-angle deposition
Authors: Alouach H. , Mankey G.J.
Published: May 2005

We report the growth of epitaxial nanowire arrays using the technique of glancing- angle deposition with substrate rotation. Epitaxial copper nanowire arrays were deposited on H-terminated Si(110) using electron beam evaporation. The nanowire arrays were characterized by x-ray diffraction, atomic force microscopy, and scanning electron microscopy. Individual nanowires were confirmed to be single crystalline by examination with transmission electron microscopy. The epitaxial growth involves twin formation with the epitaxial orientation relationships: Cu(111)//Si(110) with Cu[110]//Si[001] and Cu[110//Si[001] for each of the twins. As the angle of incidence is increased, Cu grows as isolated columns with a spacing that increases as the angle of incidence is increased. However, the thickness limit for epitaxial growth is reduced as the angle of incidence is increased, and it is reduced to approximately 300 nm for a deposition angle of 75°. The x-ray rocking curves for samples deposited at increasing polar angles show steadily improving crystal orientation up to a deposition angle of about 35°. Beyond 65° deposition angle, the rocking curves show significantly sharper split diffraction peaks indicating that there are distinct orientations. In addition, the split peaks have a much lower full width at half maximum. The observed behavior is explained based on arguments involving unidirectional diffusion arising from adatom parallel momentum.
Diffusion and solubility of holmium ions in barium titanate ceramics
Authors: Itoh Junichi , Haneda Hajime , Hishita Shunichi , Sakaguchi Isao , Ohashi Naoki , Park Dae-Chul , Yashima Isamu
Published: May 2005

Ho ion solubility and diffusivity were evaluated in barium titanate ceramics in which Ho ions were implanted with an accelerating voltage of 500 keV. The depth profile of the ions was composed of three regions in the post-annealed sample: the first was the precipitation region, the second was a region created by lattice diffusion of Ho ions, and the third was a region created by grain-boundary diffusion. The Ho lattice diffusion characteristics were similar to those of Ni ion diffusion in barium titanate ceramics, and we concluded that the diffusion mechanism was the same as that responsible for Ni ions. The Ho ions diffused through the B-site (Ti-site) and were then exchanged with A-site ions. This mechanism suggests that a small number of Ho ions dissolved in the B-site. Preferential grain-boundary diffusion was also observed. The grain-boundary diffusion coefficients were four to five orders of magnitude larger than the volume diffusion coefficients. The solubility of Ho ions was estimated to be a few thousand parts per million in barium titanate ceramics.
Analysis of the spherical indentation cycle for elastic–perfectly plastic solids
Authors: Kogut L. , Komvopoulos K.
Published: May 2005

A finite element analysis of frictionless indentation of an elastic–plastic half-space by a rigid sphere is presented and the deformation behavior during loading and unloading is examined in terms of the interference and elastic–plastic material properties. The analysis yields dimensionless constitutive relationships for the normal load, contact area, and mean contact pressure during loading for a wide range of material properties and interference ranging from the inception of yielding to the initiation of fully plastic deformation. The boundaries between elastic, elastic–plastic, and fully plastic deformation regimes are determined in terms of the interference, mean contact pressure, and reduced elastic modulus-to-yield strength ratio. Relationships for the hardness and associated interference versus elastic–plastic material properties and truncated contact radius are introduced, and the shape of the plastic zone and maximum equivalent plastic strain are interpreted in light of finite element results. The unloading response is examined to evaluate the validity of basic assumptions in traditional indentation approaches used to measure the hardness and reduced elastic modulus of materials. It is shown that knowledge of the deformation behavior under both loading and unloading conditions is essential for accurate determination of the true hardness and reduced elastic modulus. An iterative approach for determining the reduced elastic modulus, yield strength, and hardness from indentation experiments and finite element solutions is proposed as an alternative to the traditional method.
Synthesis and characterization of tungsten oxide nanorods
Authors: Guo D.Z. , Yu-Zhang K. , Gloter A. , Zhang G.M. , Xue Z.Q.
Published: May 2005

Single crystalline nanorods (15–200 nm in diameter and hundreds nanometers in length) have been formed on the carbon-covered W wires by simple electric heating under a vacuum of 5 × 10−4Pa. The chemical composition and crystalline structure of the nanorods were carefully investigated by various characterization techniques such as scanning electron microscopy, transmission electron microscopy, Raman spectroscopy, energy dispersive x-ray spectroscopy and electron energy loss spectroscopy. After ruling out any possible existence of carbon nanotubes (CNTs), tungsten carbide, W–Fe alloying, and formation of other types of tungsten oxides, monoclinic W18O49phase has been well identified. The mechanism of nanorod formation of sub-tungsten oxide (∼WO2.7compared to WO3) will be discussed in relation to the sample preparation conditions.
Cross interactions on interfacial compound formation of solder bumps and metallization layers during reflow
Authors: Shao T.L. , Chen T.S. , Huang Y.M. , Chen Chih
Published: May 2005

While the dimension of solder bumps keeps shrinking to meet higher performance requirements, the formation of interfacial compounds may be affected more profoundly by the other side of metallization layer due to a smaller bump height. In this study, cross interactions on the formation of intermetallic compounds (IMCs) were investigated in eutectic SnPb, SnAg3.5, SnAg3.8Cu0.7, and SnSb5 solders jointed to Cu/Cr–Cu/Ti on the chip side and Au/Ni metallization on the substrate side. It is found that the Cu atoms on the chip side diffused to the substrate side to form (Cux,Ni1−x)6Sn5 or (Niy,Cu1−y)3Sn4 for the four solders during the reflow for joining flip chip packages. For the SnPb solder, Au atoms were observed on the chip side after the reflow, yet few Ni atoms were detected on the chip side. In addition, for SnAg3.5 and SnSn5 solders, the Ni atoms on the substrate side migrated to the chip side during the reflow to change binary Cu6Sn5 into ternary (Cux,Ni1−x)6Sn5 IMCs, in which the Ni weighed approximately 21%. Furthermore, it is intriguing that no Ni atoms were detected on the chip side of the SnAg3.8Cu0.7 joint. The possible driving forces responsible for the diffusion of Au, Ni, and Cu atoms are discussed in this paper.
Surface stability of epitaxial SrRuO3 thin films in vacuum
Authors: Shin J. , Kalinin S.V. , Lee H.N. , Christen H.M. , Moore R.G. , Plummer E.W. , Baddorf A.P.
Published: May 2005

Surface stability of nearly defect-free epitaxial SrRuO3 thin films grown by pulsed laser deposition was studied using low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and electron spectroscopies. Even after exposure to atmosphere, surfaces exhibited distinct LEED patterns providing evidence of unusual chemical stability. Surface order disappeared after heating to 200 °C in vacuum. To investigate, SrRuO3 thin films were annealed up to 800 °C in high vacuum and examined for chemical state and topography. Formation of unit-cell deep pits and the Ru-rich particles begins at low temperatures. Hydrocarbon contamination on the surface contributes to this process.
Aerosol Synthesis of Pure and Pt-Doped ZnO Particles Using Nitrate and Pdda-Pt(IV) Complex Solutions
Authors: Djinovic Vesna M. , Mancic Lidija T. , Bogdanovic Goran A. , Vulic Predrag J. , Rosario Gilberto del , Sabo Tibor J. , Milosevic Olivera B.
Published: May 2005

Pure and Pt-doped ZnO nanophase particles were synthesized by ultrasonic spray pyrolysis. The particles were obtained through the decomposition of zinc nitrate and with a newly developed Pt(IV) complex with 1,3-propylenediamine-N,N′-diacetate tetradentate class ligand (pdda). The complex was characterized by elemental analysis, electronic absorption and infrared spectroscopy. The form of the determined complex structure {trans-[Pt(pdda)Br2]·H2O} implies that Pt(IV) ion has a distorted octahedral coordination due to intramolecular N–H···Br interaction. The results of structural refinement (cell parameters, bond lengths, and ion occupancy) of ultrasonically derived pure and Pt-doped ZnO particles suggest either the formation of Zniinterstitials or platinum ion incorporation into the ZnO lattice in octahedral interstitial positions, respectively. A well-crystallized hexagonal wurtzite structure of ZnO was pronounced in all investigated samples [JCPDS card 36-1415, Joint Committee on Powder Diffraction Standards, defined by International Centre for Diffraction Data (www.icdd.com)]. Phase determination also indicated the presence of a nitrate hydroxide hydrate phase (JCPDS card 24-1460), as a result of incomplete precursor decomposition and a spinel Zn2PtO4phase (below 1.0 wt%) located in the boundary region for a Pt-doped ZnO sample. Based on x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy analyses, it was shown that the different particle growingmorphologies, which were either spheroidally or pyramidally shaped, were influenced by the precursor chemistry, processing parameters and the presence of platinum ions. The composite internal particle structure revealed by transmission electron microscopy and selected area electron diffraction analyses, implied that the secondary particles represent an assembly of primary particles sized under 60 nm aroused during the processes of nucleation, growth and aggregation. Both hexagonal and spheroidal shape of primary particles was evident. The particle morphology, primarily particle size and the mechanism of Pt4+ion introduction into the ZnO cell was discussed based on the structural refinement and selected area electron diffraction analysis.
Determination of the Trap State Density Differences in Hydrogenated Amorphous Silicon-Germanium Alloys
Authors: Boshta M. , Bärner K. , Braunstein R. , Alavi B. , Nelson B.
Published: May 2005

Time-resolved photo- and thermoelectric effects (TTE) were used to determine simultaneously trap levels and trap state density differences in amorphous (a-SiGe:H) samples. In particular, the trap state density differences are obtained from the decay of the ambipolar charge distribution (i.e., stage II of the TTE transients). This type of spectroscopy has been applied for the first time to a-SiGe:H samples, and indeed trap states that seem to relate to concentration fluctuations, that is, Si(Ge) and Ge(Si) clusters, are observed.
Photoelectrochemical and Photocatalytic Properties of Multilayered TiO2 Thin Films With a Spinodal Phase Separation Structure Prepared by a Sol-Gel Process
Authors: Mori Ryohei , Takahashi Masahide , Yoko Toshinobu
Published: May 2005

Multilayered titanium dioxide thin films with a spinodal phase separation structure were prepared by the sol-gel process from sols containing polyoxyethylene(20) nonylphenyl ether (NPE-20), and their photoelectrochemical and photocatalytic properties were investigated. The obtained films showed much higher anodic photocurrent and photocatalytic activity than the dense TiO2 thin film electrodes. We explained these phenomena by the large specific surface area inherent in the spinodal phase separation structure and the higher concentration of Ti3+ species, which were produced by the reducing action of the incorporated organic polymers at sintering temperatures. Ti3+ species in the bulk raise the donor density, and those at the surface provide a larger number of active sites available for photoelectrochemical reaction and photocatalytic reaction.
Meso-Porous Alumina Capillary Tube as a Support for High-Temperature Gas Separation Membranes by Novel Pulse Sequential Anodic Oxidation Technique
Authors: Inada Takeshi , Uno Naoki , Kato Takeharu , Iwamoto Yuji
Published: May 2005

A meso-porous anodic alumina capillary tube (MAAC) having highly oriented radial meso-pore channels with a minimum diameter of 3 nm has been successfully synthesized using a novel pulse sequential anodic oxidation technique at 100 Hz of pulse frequency. A value resulting in a high channel-pore formation rate at 1 V of the pulse sequential voltage was determined to be the optimum pulse frequency for the anodization. Transmission electron microscopy observation and N2 sorption analysis revealed that controlling the minimum pore channel diameter at 3 nm was possible by the voltage of 1 V. The gas permeance according to Knudsen’s diffusion mechanism was demonstrated at 500 °C, by evaluating gas permeation properties through the meso-porous anodic alumina capillary tube with radial meso-pore channels with minimum diameter of 3 nm, achieving hydrogen permeance of 1.8 × 10−6 mol/m2 s Pa.
Enthalpies of Formation of LaMO3 Perovskites (M = Cr, Fe, Co, and Ni)
Authors: Cheng Jihong , Navrotsky Alexandra , Zhou Xiao-Dong , Anderson Harlan U.
Published: May 2005

Enthalpies of formation from constituent oxides and elements at 298 K were determined by high-temperature oxide melt solution calorimetry for a group of technologically important perovskites LaMO3 (M = Cr, Fe, Co, and Ni). The enthalpies of formation of LaCrO3 and LaFeO3 from oxides (La2O3 and Cr2O3 or Fe2O3) are –70.06 ± 2.79 kJ/mol and –64.58 ± 2.32 kJ/mol, respectively. The enthalpies of formation of LaCoO3 and LaNiO3 from oxides (La2O3 and CoO or NiO) and O2 are −107.64 ± 1.77 kJ/mol and –57.31 ± 2.55 kJ/mol, respectively. All these data are evaluated and found to be consistent with literature values obtained using other methods. The relative stability among these four perovskites decreases in the order of Cr, Fe, Co, Ni.
Laser-Induced Growth of Titanium Nitride Microcolumns on Biased Titanium Targets
Authors: György E. , Pino A. Pérez del , Serra P. , Morenza J.L.
Published: May 2005

Titanium targets with a bias voltage ranging from −500 to +500 V were submitted to multipulse high repetition rate Nd:yttrium aluminum garnet (YAG; λ = 1.064 μm, τ ∼ 300 ns, ν = 30 kHz) laser irradiations in nitrogen at intensity values below the single-pulse melting threshold. The morphology of the TiN structures formed under the cumulative action of the laser pulses on the surface of the unbiased and biased targets was investigated by profilometry and scanning electron microscopy. Under these irradiation conditions, a specific columnar surface microrelief developed. The height of the microcolumns reached about 10–15 μm, and their diameter about 1–2 μm. The development of TiN microcolumns was enhanced by the applied bias voltage. The enhancement in the negative biased samples was stronger than that in the positive biased ones.
Microstructure and Chemistry of Annealed Al–Cu–Fe–Cr Quasicrystalline Approximant Coatings
Authors: Daniels M.J. , Zabinski J.S. , Wu H. , Grovenor C.R.M. , Bilello J.C.
Published: May 2005

An as-deposited Al–Cu–Fe–Cr film was annealed in flowing argon to study development of a quasicrystalline approximant microstructure. Sputter profile x-ray photoemission spectroscopy analysis showed oxygen incorporation reached approximately 70 at.% at the surface of the film, declined monotonically, and stabilized at ∼10 at.% at a depth of 160 nm. Synchrotron grazing incidence x-ray scattering was used to probe the structure of the coating at various penetration depths by altering the angle of the incident x-ray beam. An amorphous structure was observed near the termination surface, which coexisted with a compressively strained crystalline aluminum. These phases were the dominant microstructure to a depth of 110 nm. Below 150 nm, the film was primarily O1 decagonal approximant. Cross-section transmission electron microscopy elucidated a columnar growth morphology with associated porosity in the interstices between the columns. The resulting development of the Al–Cu–Fe–Cr decagonal approximant coatings from the precursor is reported.
Effect of Fe Segregation on the Migration of a Non-Symmetric Σ5 Tilt Grain Boundary in Al
Authors: Mendelev M.I. , Srolovitz D.J. , Ackland G.J. , Han S.
Published: May 2005

We present an analysis, based upon atomistic simulation data, of the effect of Fe impurities on grain boundary migration in Al. The first step is the development of a new interatomic potential for Fe in Al. This potential provides an accurate description of Al–Fe liquid diffraction data and the bulk diffusivity of Fe in Al. We use this potential to determine the physical parameters in the Cahn–Lücke–Stüwe (CLS) model for the effect of impurities on grain boundary mobility. These include the heat of segregation of Fe to grain boundaries in Al and the diffusivity of Fe in Al. Using the simulation-parameterized CLS model, we predict the grain boundary mobility in Al in the presence of Fe as a function of temperature and Fe concentration. The order of magnitude and the trends in the mobility from the simulations are in agreement with existing experimental results.
Stability of Fe-Based Alloys With Structure Type C6Cr23
Authors: Widom M. , Mihalkovic M.
Published: May 2005

Bulk metallic glass forms when liquid metal alloys solidify without crystallization. In the search for iron-based bulk glass-forming alloys of the metal–metalloid type (Fe–B- and Fe–C-based), crystals based on the structural prototype C6Cr23 often preempt the amorphous phase. Destabilizing this competing crystal structure could enhance glass formability. We carried out first-principles total energy calculations of enthalpy of formation to identify third elements that can effectively destabilize C6Cr23. Yttrium appears optimal among transition metals, and rare earths also are suitable. Atomic size is the dominant factor.
Orientation Control of Lead Zirconate Titanate Film by Combination of Sol-Gel and Sputtering Deposition
Authors: Park Chee-Sung , Kim Sang-Wook , Park Gun-Tae , Choi Jong-Jin , Kim Hyoun-Ee
Published: May 2005

Highly oriented lead zirconate titanate (PZT) films were fabricated on a platinized silicon substrate using a combination of sol-gel and radio frequency (RF) magnetron sputtering deposition methods. A sol-gel derived PZT layer highly oriented to the (100) plane was deposited as a seed layer, and PZT with the same composition then was deposited on the seed layer by RF-magnetron sputtering. The film deposited on the seed layer showed a strong (100) preferred orientation, while the film deposited without the seed layer showed a (111) preferred orientation. Furthermore, a thick PZT film of up to 4 μm was able to be deposited without cracks by using the seed layer. The piezoelectric property of the (100) oriented film was much better than that of the (111) oriented film.
A Novel Structural Mesoporous Alumina/Yttrium Doped Zirconia Nanocrystalline Composite Derived by Solvothermal Approach
Authors: Chen Hangrong , Wang Xin Michael , Shia Jianlin , Xiao Ping , Yan Dongsheng
Published: May 2005

A novel structural mesoporous alumina (40 mol%)/yttrium doped zirconia nanocrystalline composite has been synthesized by a solvothermal process using ethanol and ethylene glycol as a co-solvent. X-ray diffraction, thermogravimetry/differential scanning calorimetry, Fourier transform infrared, transmission electron microscopy, and nitrogen adsorption are used for the structural characterization. This novel mesoporous alumina/zirconia nanocomposite presents nanocrystalline zirconia particles with a uniform size less than 5 nm surrounded by alumina, forming a kind of core-shell structure after calcined at 800 °C. The mesostructural composite has high surface area (higher than 250 m2/g) and a narrow pore-size distribution of about 3.2 nm throughout the composite sample. The uniformly distributed nanocrystalline zirconia particles and the surrounding wormlike alumina framework act as the inorganic wall for the mesopores.
Effect of different nanoscale RE2BaCuO5 additions on the formation of compositional fluctuation in Sm–Ba–Cu–O superconducting bulk materials
Authors: Chen Shih-Yun , Chen In-Gann , Liao Yang-Chung , Wu Maw-Kuen
Published: May 2005

This study presents the effect of different nanoscale RE211 additions—Y2BaCuO5 (nmY211), Sm2BaCuO5 (nmSm211), and Nd4Ba2Cu2O10 (nmNd422)—on the nano-scale compositional fluctuation and associated pinning mechanism of the melt-textured growth (MTG) Sm–Ba–Cu–O [SmBCO, of which the composition is Sm123 (Sm1Ba2Cu3Oy) + 25 wt% Sm211 (Sm2BaCuO5)] superconducting bulk materials. The superconductivity and microstructure results indicated that in samples with the addition of these nano-sized particles, nanoscale compositional fluctuations form during the peritectic transformation of melt-growth process, which cause Tc variation on a nanoscale and result in the formation of δTc pinning centers at high magnetic field. The compositional fluctuation regions (δTc pinning centers) are altered by the difference in peritectic temperature, the solubility in the liquid phase, and the ion radius. The direct current transport R-T properties elucidate the change of flux pinning behavior. In addition, the different influence on microstructure and superconductivity between the two methods: mixing rare-earth elements in nanoscale RE211 or in the homogeneous mixed precursor powders [e.g., (Nd, Eu, Gd)–Ba–Cu–O (NEG)] is also discussed.
Primary precipitation of icosahedral quasicrystal with rearrangement of constitutional elements in Zr65Al7.5Cu27.5 glassy alloy with low oxygen impurity
Authors: Saida Junji , Kato Hidemi , Inoue Akihisa
Published: May 2005

The primary transformation reaction of the Zr65Al7.5Cu27.5 ternary glassy alloy with a low oxygen impurity of approximately 100 mass ppm was investigated. We have discovered the precipitation of the metastable icosahedral phase with a fine grain size of 50–100 nm in diameter accompanying with the formation of stable Zr2Cu phase at the annealing temperatures ranging from 715 to 730 K. The lattice spacing of Zr2Cu phase decreases at higher temperatures, which is attributed to the rearrangement of Zr and Cu in the decomposition of the icosahedral phase. It is suggested that the formation of the icosahedral phase in the primary stage originates from the existence of the quenched-in icosahedral local atomic configuration in the glassy state.
Large negative thermal expansion and phase transition in (Pb1−xCax)TiO3 (0.30 ≤ x ≤ 0.45) ceramics
Authors: Chandra Amreesh , Pandey Dhananjai , Mathews M.D. , Tyagi A.K.
Published: May 2005

High-temperature dilatometric studies on (Pb1−xCax)TiO3 (x = 0.35, 0.35, 0.40, 0.45) ferroelectric ceramics reveal negative thermal expansion for x ≤ 0.40. The negative thermal expansion coefficient for x = 0.30, as obtained by dilatometry and powder x-ray diffraction, were found to be −8.541 × 10−6 K−1 and −11 × 10−6 K−1, respectively, which are comparable to those of other well-known negative thermal expansion materials like ZrW2O8, NaZr2(PO4)3. Results of temperature-dependent x-ray diffraction studies are also presented to show that the large negative thermal expansion behavior for x = 0.30 persists in a very wide range of temperatures, 70–570 K. Ca2+ substitution reduces the value of the negative thermal expansion coefficient of pure PbTiO3 crystal, but it enables the preparation of strong sintered ceramic bodies. The negative thermal expansion behavior is shown to disappear above the ferroelectric Curie point and is restricted to only the tetragonal compositions of (Pb1−xCax)TiO3.
Misfit dislocation dissociation and Lomer formation in low mismatch SiGe/Si heterostructures
Authors: Marshall A.F. , Aubertine D.B. , Nix W.D. , McIntyre P.C.
Published: May 2005

Using transmission electron microscopy we observe the dissociation of 60° misfit dislocations at the interface of SiGe/Si multilayers, extending into the substrate for distances of 5.0–7.5 nm. Analysis using elasticity theory shows that this dissociationis the equilibrium configuration for individual 60° misfit dislocations, as it is for 60° mixed dislocations in bulk Si, and that the compressively strained multilayer film serves mainly to position the partial dislocations and stacking fault with respect to the free surface. We observe both undissociated 60° and Lomer edge dislocations after annealing, and conclude that these result from dislocation climb in the interface. Since the dislocations move off their slip plane during climb, they cannot remain dissociated. Significant climb and Lomer dislocation formation for these low misfit layers is observed at temperatures above 850 °C and for samples with a high initial dislocation density, such as found in thicker as-grown samples. The dislocation configuration formed during annealing is distinct from that reported to form during growth of higher mismatch films: the Lomer dislocations tend to be segmented, with the segments connected by perfect 60° dislocations.
Synthesis of TiN/Si3N4 composite powders by mechanically activated annealing
Authors: Córdoba J.M. , Murillo R. , Alcalá M.D. , Sayagués M.J. , Gotor F.J.
Published: May 2005

TiN/Si3N4 composite powders were obtained by a process that combines the mechanical activation of titanium and silicon powders at room temperature through high-energy milling with an isothermal annealing in a nitrogen atmosphere to complete the synthetic reaction. Mechanical activation has allowed us to complete the synthesis at 1350 °C only. The β–Si3N4 content in the final powder tends to increase as the milling time is prolonged. The microstructure of the TiN/Si3N4 composite powders has a bimodal character composed of TiN and β–Si3N4 grains and α-Si3N4 nanowires. Diameters of the nanowires range from 10 to 70 nm.
Growth mechanism of Y α-SiAlON whiskers prepared by combustion synthesis
Authors: Liu Guanghua , Chen Kexin , Zhou Heping , Ning Xiaoshan , Pereira C. , Ferreira J.M.F.
Published: May 2005

Novel Y α-SiAlON whiskers with high aspect ratios were prepared by combustion synthesis, except for common isotropic grains. The growth process of whiskers was investigated, and experimental results showed that the predominant growth mode of whiskers was the vapor–liquid–solid (VLS) mechanism. In contrast to the usual situation, here the liquid phase played two roles during the growth of Y α-SiAlON whiskers; that is to say, in addition to acting as a medium for mass transportation, the liquid phase took part in reactions itself. It was also found that proper addition of Fe2O3 could facilitate the development of whiskers with no remarkable deterioration on the phase assemblage of combustion products.
Inverse scaling functions in nanoindentation with sharp indenters: Determination of material properties
Authors: Wang Lugen , Ganor M. , Rokhlin S.I.
Published: May 2005

This paper, based on extensive finite element simulations and scaling analysis, presents scaling functions for the inverse problem in nanoindentation with sharp indenters to determine material properties from nanoindentation response. All the inverse scaling functions were directly compared with results calculated using the large deformation finite element method and are valid from the elastic to the full plastic regimes. To relate the material properties to measurable indentation parameters a new nondimensional experimental parameter Λ=P/(DS) was introduced, where P is load, D is indentation depth, and S is contact stiffness. This parameter is monotonically related to the ratio of yield stress to modulus. The modulus, hardness and yield stress are presented as explicit functions of Λ and the strain hardening exponent. The error in the inverse modulus, hardness, and yield stress due to uncertainty of the strain hardening exponent was studied and is compared with that of the traditional Oliver–Pharr method. The method of determining the strain hardening exponent from measurement with an additional indenter with a different cone apex angle is described. For this, a scaling function with the strain hardening exponent as the only unknown was obtained. In this way, the modulus, hardness, yield stress and strain hardening exponent may be determined. Experimental results show the inversion method permits the modulus and hardness to be accurately determined irrespective of the effects of pileup or sink-in.
Effect of substrate surface orientation on the wettability and adhesion of α–Al2O3 single crystals by molten Cu
Authors: Shen Ping , Fujii Hidetoshi , Nogi Kiyoshi
Published: May 2005

Wetting of α–Al2O3 single crystals with different crystallographic orientations, R(0112), A(1120), and C(0001), by molten Cu at 1423–1673 K was studied using an improved sessile drop method mainly in a reducing Ar–3%H2 atmosphere to determine the effect of the alumina surface orientation on the wettability and adhesion in this system. The contact angles were generally in the range of 110–117°, and the work of adhesion was between 0.7 and 0.8 J m−2, without a significant dependence on the alumina surface orientation. This result was explained by the possibly close bond strengths of Cu–O at the oxygen-terminated Cu/[R(0112)] and Cu/[A(1120)] α-alumina interfaces and Cu–Al at the Al-terminated (or Al-rich) Cu/[C(0001)] α-alumina interface under high-temperature and low oxygen partial pressure conditions. Additionally, the effects of alumina surface dissolution in the region around the triple junction and H2 in the atmosphere were examined. Some reasons for the controversy on the bonding nature at the Cu/α–Al2O3 interfaces, i.e., Cu–O or Cu–Al on earth, present in the literature were also addressed.
Optimizing SrTiO3 films on textured Ni substrates using chemical solution deposition
Authors: Siegal M.P. , Clem P.G. , Dawley J.T. , Richardson J. , Overmyer D.L. , Holesinger T.G.
Published: May 2005

Chemical solution deposition (CSD) is used to grow high-quality (100)-oriented films of SrTiO3 (STO) on CSD Ba0.2 Ca0.8TiO3(100) (BCT) templates on textured W-doped Ni(100) (Ni:W) tape substrates. The BCT template films form a thin layer or “skin” that bridges its significant porosity. STO films grown at 1000 °C appear optimized for heteroepitaxial orientation, surface coverage, and film smoothness. Both interfaces in the STO(100)/BCT(100)/Ni:W(100) stack demonstrate excellent atomic registry and compositional abruptness. Doping STO with a few atomic percent of Nb reduces oxygen diffusion into the film by an order of magnitude and provides greater protection to the Ni interfacial surface from oxidation during the growth of additional functional oxides requiring relatively higher p(O2) high-temperature processing, such as superconducting YBa2Cu3O7−δ. CSD growth of BCT and STO also planarizes pre-existing grooves in the Ni:W(100) tapes while maintaining a high degree of orientation by forming facets at the interfaces.
Dielectric loss of niobium-doped and undoped polycrystalline Sr2Bi4Ti5O18
Authors: Lu Wang-ping , Zhu Jun , Sun Hui , Chen Xiao-bing
Published: May 2005

Ferroelectric and dielectric properties of niobium-doped Sr2Bi4Ti5O18 ceramics were investigated. Compared with the undoped ceramics, the niobium-doped ceramics exhibited obviously increased remnant polarization 2Pr, which is similar to the case of vanadium doping. However, the mechanisms of increasing of 2Pr by vanadium and niobium doping are quite different. In the case of Nb-doping, one relaxation peak P1 is found on the dielectric loss curves D(T) at 70 °C. The dependence of the peak on various annealing atmosphere indicates that the relaxation mechanism of the peak is related to oxygen vacancies. With niobium doping, the P1 peak declines gradually. These results suggest that the substitution of Ti4+ by a small amount of Nb5+ can result in the decreasing of the concentration of oxygen vacancies. Thus, the increase in 2Pr of Nb-doped Sr2Bi4Ti5O18 could be attributed to the significant weakening of defect pinning.
Reorientation of carbon nanotubes in polymer matrix composites using compressive loading
Authors: Lance Michael J. , Hsueh Chun-Hway , Ivanov Ilia N. , Geohegan David B.
Published: May 2005

Purified single-walled nanotubes (SWNTs) were dispersed in an epoxy polymer and subjected to uniaxial compressive loading. The orientation and stress in the nanotubes were monitored in situ using polarized Raman microscopy. At strains less than 2%, the nanotubes reorient normal to the direction of compression, thereby minimizing the local strain energy. Above 2% strain, the Raman peak shift reaches a plateau. A new analytical model, which approximates the SWNT reorientation by varying the aspect ratio of a representative spheroid, predicted the rotation behavior of nanotubes under load. The results of this model suggest that the observed plateau of the Raman peak shift is caused by both polymer yielding and interfacial debonding at the ends of nanotubes.
Gel-melting method for preparation of organically modified siloxane low-melting glasses
Authors: Masai Hirokazu , Takahashi Masahide , Tokuda Yomei , Yoko Toshinobu
Published: May 2005

Softening or melting behavior of the organically-modified siloxane hybrid gels and glasses in the system of RSiO3/2 and R2SiO2/2 (R: methyl and phenyl) has been investigated to obtain a new family of low-melting glasses. The RSiO3/2 and RSiO3/2–R2SiO2/2 gels showed softening temperatures around 50–100 °C. The softening temperature of RSiO3/2 single-component glasses, which were obtained by melting the corresponding gels at a temperature above the softening temperature, increased by heat-treatment at 200 °C, and finally showed no softening behavior. On the other hand, in the PhSiO3/2–Ph2SiO2/2 binary glasses, the softening temperatures showed a tendency to saturate after longer heat treatment over 200 h. These facts indicate that the present organically modified siloxane system will be a potential candidate for the low-melting glass.
Combustion synthesis of metal carbides: Part II. Numerical simulation and comparison with experimental data
Authors: Locci A.M. , Cincotti A. , Delogu F. , Orrù R. , Cao G.
Published: May 2005

Based on the general theoretical model proposed in Part I of this work [J. Mater. Res. 20, 1257 (2005)], a series of numerical simulations related to the self-propagating high-temperature synthesis in the Ti–C system is presented. A detailed and quantitative description of the various physical and chemical processes that take place during combustion synthesis processes is provided in Part II of this work. In particular, the proposed mathematical description of the system has been discussed by highlighting the relation between system macroscopic behavior obtained experimentally with the modeled phenomena taking place at the microscopic scale. Model reliability is tested by comparison with suitable experimental data being nucleation parameters adopted for the fitting procedure. The complex picture emerging as a result of the model sophistication indicates that the rate of conversion is essentially determined by the rate of nucleation and growth. In addition, comparison between model results and experimental data seems to confirm the occurrence of heterogeneous nucleation in product crystallization.
Molecular-dynamics study of interfacial diffusion between high-permittivity gate dielectrics and germanium substrates
Authors: Iwasaki T.
Published: May 2005

The stability of interfaces with germanium, which has recently been discussed as a replacement for silicon in ultra-large-scale integrated circuits (ULSIs), was studied. Interfacial oxygen diffusion from high-permittivity gate dielectrics (ZrO2 and HfO2) into germanium substrates must be suppressed to prevent the formation of interfacial layers between the gate dielectrics and the germanium substrates. Oxygen diffusion was simulated through a molecular-dynamics technique that takes into account many-body interactions and charge transfer between different elements. The simulation results show that the addition of yttrium is effective in suppressing interfacial oxygen diffusion at the ZrO2/germanium interfaces. On the other hand, the addition of yttrium is not effective in suppressing interfacial oxygen diffusion at the HfO2/germanium interfaces. The results also show that the diffusion at the ZrO2/Ge(111) and HfO2/Ge(111) interfaces is much more suppressed than the diffusion at the ZrO2/Ge(001) and HfO2/Ge(001) interfaces.
Flame-coating of titania particles with silica
Authors: Teleki A. , Pratsinis S.E. , Wegner K. , Jossen R. , Krumeich F.
Published: May 2005

Silica/titania composite particles were prepared by co-oxidation of titanium-tetra-isopropoxide and hexamethyldisiloxane in a co-flow diffusion flame reactor. The influence of precursor composition on product powder characteristics was studied by x-ray diffraction, nitrogen adsorption, electron microscopy, elemental mapping, and energy-dispersive x-ray analysis. The flame temperature was measured by Fourier transform infrared spectroscopy. The evolution of composite particle morphology from ramified agglomerates to spot- or fully coated particles was investigated by thermophoretic sampling and transmission/scanning electron microscopy. At 40–60 wt% TiO2, particles with segregated regions of silica and titania were formed, while at 80 wt% TiO2 rough silica coatings were obtained. Rapid flame-quenching with a critical flow nozzle at 5 cm above the burner nearly halved the product particle size, changed its crystallinity from pure anatase to mostly rutile and resulted in smooth silica coatings on particles containing 80 wt% TiO2.
Comment on the determination of mechanical properties from the energy dissipated during indentation
Authors: Malzbender Jürgen
Published: May 2005

Based on a comparison of relationships between the energy dissipated during indentation and the ratio of hardness to elastic modulus, a procedure is outlined to determine hardness and elastic modulus from the ratio of the elastic to total energy dissipated during an indentation cycle for non-ideal indenters.