We have observed efficient damage recovery in large-scale molecular dynamics simulations of 30 keV Zr recoils in pure zirconia and yttria-stabilized zirconia, which is in stark contrast to radiation damage accumulation in zircon. Dynamic annealing is highly effective in zirconia during the first 5 ps of damage evolution, especially in the presence of oxygen structural vacancies. This results in near-complete recovery of damage. Damage recovery on the cation sublattice is assisted by the anion sublattice recovery, which explains the remarkable radiation tolerance of stabilized zirconia. Ceramics engineered to heal themselves in this fashion hold great promise for use in high-radiation environments or for safely encapsulating high-level radioactive waste over geological time scales.

Based on microindentation experiments of three different metals, Guelorget et al. [J. Mater. Res. 22, 1512 (2007)] have compared the performance of five different indentation methods on extracting material plastic properties—among them, three papers were proposed by Cao and Lu [Acta Mater.52, 4023 (2004); J. Mater. Res.20, 1194 (2005); J. Mech. Phys. Solids53, 49 (2005)] and two papers were published by our group [Ogasawara et al., Scripta Mater.54, 65 (2006); Zhao et al. Acta Mater.54, 23 (2006)]. They argued that the performances of our techniques in [Ogasawara et al., Scripta Mater.54, 65 (2006); Zhao et al. Acta Mater.54, 23 (2006)] were quite poor. Here we show that Guelorget et al. [J. Mater. Res. 22, 1512 (2007)] have made quite a few mistakes and problematic steps when they handled the experiment data and performed reverse analysis. Indeed, the material plastic properties extracted from the correct procedures based on our papers [Ogasawara et al., Scripta Mater.54, 65 (2006); Zhao et al. Acta Mater.54, 23 (2006)] are much better and more stable than that reported in Guelorget et al. [J. Mater. Res. 22, 1512 (2007)]. Several general issues related to interpreting microindentation data and reverse analysis are also discussed, which may serve as important guidelines for similar studies in the future.

The microstructure and residual stress of sputter-deposited yttria-stabilized zirconia (YSZ) films are presented as a function of thickness (5–1000 nm), deposition pressure (5–100 mTorr), and post-deposition temperature. The as-deposited residual stress of YSZ ranges from −1.4 GPa to 100 MPa with variations in sputtering conditions. Transitions from compressive to tensile stress are identified with variations in working pressure and film thickness. The origins and variations in as-deposited stress are determined to be from tensile stress due to grain coalescence/growth, and compressive stresses are due to forward sputtering/“atomic peening” of target atoms. The evolution of residual stress with post-deposition annealing shows a tensile stress hysteresis of up to 1 GPa for films deposited at low working pressures. This hysteresis is believed to be due to crystallization and the diffusive relief of compressive stresses initially generated by atomic peening during deposition. Discussion and evaluation of other common residual stress mechanisms are presented throughout.

In this paper, the growth of thin and dense films of vertically aligned carbon nanotubes (CNTs) on Fe–Co/TiN/Si(100) substrates is reported. Special attention is held to the preparation of the TiN buffer layers. This layer is deposited by pulse laser deposition at high temperature with a high texturation according to [TiN(100)//Si(100)]. Further ammonia heat treatment is performed at 623 K to control a Ti:N stoichiometry and remove oxygen impurity. Fe and Co as catalysts are subsequently deposited at high temperature (923 K) at the monolayer level with two ultrahigh vacuum evaporator cells. The growth of CNTs is performed by a direct-current plasma-enhanced and hot filaments-assisted catalytic chemical vapor deposition (dc HF CCVD) process. Highly dense films of CNTs, are obtained with only 0.5 nm Fe(Co) evaporated. Observations by transmission electron microscopy show that most of the CNTs display sizes in the 2.5–6 nm range, most of them with a double-wall (DW). This is in agreement with spectral features of the Raman radial breathing modes (RBM) in the 70–130 cm−1 range. Generally, these large-diameter DWCNTs display a high defect density with morphologies partially collapsed into flattened twisted shapes.

Commercially procured single-walled carbon nanotubes were dispersed in 2 wt% solution of sodium cholate and also in 1 wt% solution of sodium dodecyl sulfate. The absorption spectrum of the suspensions was studied in ultraviolet–visible–near-infrared (UV–vis–NIR) range. Two distinct bands, each containing three peaks, were observed in NIR range for both the suspensions. These peaks correspond to transitions between van Hove singularities E11 and E22 in the density of states of the semiconducting nanotubes. Comparing positions of the observed peaks with the empirical Kataura plot, the diameters and chiralities of the nanotubes were estimated. Using tight binding approximations, the diameter of the nanotubes was also estimated theoretically. Discrepancies between the theoretically calculated diameters and those obtained by empirical Kataura plots are found to be higher for E11 peaks. It has been suggested that the reason for this discrepancy is that the observed E11 peaks are blue-shifted due to Coulomb interactions and exciton formation.

An amorphous polymer was contacted by a Berkovich indenter using the same loading history but with four different unloading rates following a wide range of load-hold time periods. The strain-rate sensitivity index of the creeping solid was determined at each load-hold period based on two readily determinable parameters, which are the effective contact stiffness and strain rate at the onset of unloading. The measured strain-rate sensitivity index was found to increase with decreasing load-hold period, suggesting that the elastic moduli of the amorphous polymers determined by nanoindentation (together with the true contact area) depends significantly on the selection of the load-hold period. The rheological condition of the creeping solid under constant load changes substantially with time to affect the subsequent unloading recovery process. It is therefore advisable to control not only the unloading strain rate but also the load-hold period when testing time-dependent materials.

A new grain-growth mode is observed in thick sputtered copper films. This new grain-growth mode, also referred to in this work as super secondary grain growth (SSGG) leads to highly concentric grain growth with grain diameters of many tens of micrometers, and drives the system toward a {100} texture. The appearance, growth dynamics, final grain size, and self-annealing time of this new grain-growth mode strongly depends on the applied bias voltage during deposition of these sputtered films, the film thickness, the post-deposition annealing temperature, and the properties of the copper diffusion barrier layers used in this work. Moreover, a clear rivalry between this new growth mode and the regularly observed secondary grain-growth mode in sputtered copper films was found. The microstructure and texture evolution in these films is explained in terms of surface/interface energy and strain-energy density minimizing driving forces, where the latter seems to be an important driving force for the observed new growth mode. By combining these sputtered copper films with electrochemically deposited (ECD) copper films of different thickness, the SSGG growth mode could also be introduced in ECD copper, but this led to a reduced final SSGG grain size for thicker ECD films. The knowledge about the thin-film level is used to also implement this new growth mode in small copper features by slightly modifying the standard deposition process. It is shown that the SSGG growth mode can be introduced in narrow structures, but optimizations are still necessary to further increase the mean grain size in features.

We have studied the lattice structure of variously oriented lead iron niobate (PFN) thin films with thicknesses of 50 < t < 500 nm that were deposited by pulsed laser deposition (PLD). We have identified that (001)-, (110)-, and (111)-oriented PFN thin films have tetragonal, orthorhombic, and rhombohedral phases at room temperature, respectively. The change in phase stability, when deposited on substrates of different orientations, is discussed with respect to the influence of epitaxial stress.

A series of Ti–Cx–Ny thin films with solid-solution and nanocomposite structures were deposited at 500 °C by reactive, unbalanced, direct-current magnetron sputtering. These films were subsequently vacuum annealed at 600, 700, 800, 900, and 1000 °C for 1 h. The effect of C content on the thermal stability of Ti–Cx–Ny thin films was investigated by way of studying the nanostructure and mechanical behaviors of pre- and postannealed samples using x-ray diffraction, high-resolution transmission electron microscopy, Raman spectroscopy, and microindentation measurements. The result indicated that C content played a great role in the nanostructure of Ti–Cx–Ny thin films. A small amount of C fully dissolved in the TiN lattice and produced SS Ti(N,C) thin films. Nanocomposite nanocrystalline (nc)-Ti(N,C)/amorphous-(C, CNx) thin films were followed to be formed with the incorporation of more C. On the other hand, the addition of C had a positive effect on the structural stability of Ti–Cx–Ny thin films. This effect was further enhanced after the formation of a nanocomposite structure. However, neither C content nor film structure had an effect on the thermal stability of mechanical behaviors. Both microhardness and residual stress were successively decreased with temperature and did not show any temperature retardation. The decrease in hardness values was found to be attributed to a decrease of residual compressive stress because of defect annihilation and an increase in nc size.

In this paper, YNbO4:0.05Tb3+ and GdTaO4:0.05Eu3+ phosphors were chosen to study the influence of the firing temperature on the phase and morphologies using novel modified in situ chemical coprecipitation technology. Results show that until the temperature reaches 1000 °C, the formation of YNbO4 and GdTaO4 were realized; with the increasing firing temperatures, those samples present better crystalline structure and better morphologies. The luminescent properties of Eu3+ and Tb3+ have shown that after calcinations at 1000 °C, the intensity of Eu3+ and Tb3+ increases strongly with the increasing of the calcinations temperature, while remaining relatively unchanged at the temperatures ranging between 600 and 800 °C. Furthermore, other rare earth ion doped GdTaO4 and Y1−xGdxTaO4:5 mol% Eu3+ with the different yttrium content were also synthesized after calcinating at the preferable temperature using the same method. The photoluminescence of Y1−xGdxTaO4:5 mol% Eu3+ revealed that the red emission intensity of Eu3+ increases with the increasing of gadolinium content, indicating that Gd ion plays an important role in the energy transfer process. Also, the concentration quenching has been studied in the GdTaO4:Eu3+/Dy3+ systems. Moreover, the characteristic emission lines of Tb3+, Pr3+, and Er3+ in GdTaO4 were observed, showing that the energy transfer process appears between host and those activators.

Bulk metallic glasses have been formed over a fairly wide composition range (54–62 at.% Ni, 32–36 at.% Nb, and 3–11 at.% Sn) in the Ni–Nb–Sn ternary system. Partial substitution of Co for Ni and Hf for Nb improves the glass-forming ability, eventually leading to 4 mm glassy rods at the Ni56Co3Nb28Hf8Sn5 composition. The positive effects of these alloying elements have been explained based on a systematic monitoring of the amount and morphology of the competing crystalline phases as a function of the Co and Hf contents.

Transmission electron microscopy (TEM) and fast Fourier transformation (FFT) analysis were used to examine the microstructures of amorphous carbon (a-C) films deposited on Si(100) by radio-frequency (rf) sputtering without magnetron. TEM analysis revealed that a-C films synthesized under certain deposition conditions contained randomly dispersed nanocrystallites ∼35 Å in size. FFT results indicated that the nanocrystallites possessed diamondlike cubic structures with their close-packed {111} planes parallel to the film surface. The formation of diamondlike nanocrystallites is attributed to metastable carbon atom clusters of trigonal carbon hybridization that were sputtered off from the graphite target under certain process conditions. Cluster distortion upon deposition onto the growing film surface by the bombarding Ar+ ions promoted tetrahedral carbon atom hybridization and, possibly, epitaxial growth of diamondlike nanocrystallites for a short duration.

Palladium hydrides have important applications. However, the complex Pd–H alloy system presents a formidable challenge to developing accurate computational models. In particular, the separation of a Pd–H system to dilute (α) and concentrated (β) phases is a central phenomenon, but the capability of interatomic potentials to display this phase miscibility gap has been lacking. We have extended an existing palladium embedded-atom method potential to construct a new Pd–H embedded-atom method potential by normalizing the elemental embedding energy and electron density functions. The developed Pd–H potential reasonably well predicts the lattice constants, cohesive energies, and elastic constants for palladium, hydrogen, and PdHx phases with a variety of compositions. It ensures the correct hydrogen interstitial sites within the hydrides and predicts the phase miscibility gap. Preliminary molecular dynamics simulations using this potential show the correct phase stability, hydrogen diffusion mechanism, and mechanical response of the Pd–H system.

Nanocrystalline lead zirconate titanate (PZT) and lead lanthanum zirconate titanate (PLZT) have been synthesized in powder form by a single-step auto-ignition of metal–polymer gel precursor. The nanocrystalline powders were characterized using analytical transmission electron microscopy (TEM) equipped with an energy-dispersive x-ray spectrometer (EDXS) for composition analysis. For both PZT and PLZT, nanoparticles of sizes as low as 1–5 nm along with larger nanoparticles of sizes up to 30 nm are observed in the TEM. The selected-area diffraction (SAD) patterns from the nanoparticles revealed a face-centered cubic (fcc) crystal structure for both PZT and PLZT with a lattice parameter of ∼0.51 nm. The formation of PZT and PLZT nanoparticles of sizes below 5 nm with metastable fcc crystal structure has been observed for the first time. It is concluded that, as the crystal size decreases, the system assumes crystal structures of higher symmetry initially through small changes in lattice parameters and, in extreme cases, through chemical disorder for ultrafine nanoparticles.

Dimensional analysis is used to show that the maximum penetration depth and the tip radius affect the β correction factor appearing in the Sneddon relationship between unloading contact stiffness, contact area, and elastic modulus. A simple analytical model based on elasticity theory is derived that predicts the variation of β with penetration depth. This model shows that β increases at low penetration depth and decreases with the tip radius. The β(h) curve given by the model is compared with that calculated by finite element analysis for an elastic material and also with that deduced from experimental measurements performed on fused quartz with two Berkovich indenters: a sharp one and a blunted one. It is also demonstrated that the correction factor can be expressed as two multiplicative contributions, a contribution related to the mechanical properties of the material and a contribution related to the indenter geometry. Implications of these findings on nanoindentation test are also discussed.

Y2SiO5 has potential applications as a high-temperature structural ceramic and environmental/thermal barrier coating. In this work, we synthesized single-phase Y2SiO5 powders utilizing a solid–liquid reaction method with LiYO2 as an additive. The reaction path of the Y2O3/SiO2/LiYO2 mixture with variation in temperatures and the role of the LiYO2 additive on preparation process were investigated in detail. The powders obtained by this method have good sinterability. Through a pressureless sintering process, almost fully dense Y2SiO5 bulk material was achieved with a very high density of 99.7% theoretical.

Compositionally graded (Ba1−xSrx)TiO3 (BST) thin films (with 0.0 ⩽ x ⩽ 0.25) were grown by pulsed laser deposition on the (100)MgO single-crystal substrates covered with a conductive La0.5Sr0.5CoO3 (LSCO) layer as a bottom electrode. Their epitaxial growth, dielectric response, and microstructure were characterized. The epitaxial relationships between the BST, LSCO, and MgO can be determined as [001]BST//[001]LSCO//[001]MgO and (100)BST//(100)LSCO//(100)MgO, from the x-ray diffraction (rocking curve, ϕ scans) and electron-diffraction patterns. Dielectric data showed that the room temperature values of the dielectric constant and dielectric loss of the graded BST films were 630 and 0.017 at 100 kHz, respectively. Cross-sectional transmission electron microscopy (TEM) images reveal that both the BST films and the LSCO bottom electrode grow with a columnar structure, and they have flat interfaces and overall uniform thickness across the entire specimen. Cross-sectional high-resolution TEM images reveal that at the LSCO/MgO(100) interface, an interfacial reaction is not seen, whereas edge-type interfacial dislocations with their extra half-planes residing in the LSCO side are observed with an average interval of 2.20 nm, close to the theoretical value of 2.15 nm. At/near the LSCO/BST interface, the graded BST films grow perfectly and coherently on the LSCO lattice because they have the same type of crystal structure and almost same lattice constants, and no interfacial dislocations are observed. Planar TEM images show that the graded films exhibit granular and/or polyhedral morphologies with an average grain size of 50 nm, and the aligned rectangular-shaped voids were also observed. High-resolution TEM images show that the length sizes of voids vary from 8 to 15 nm, and with width of 5 to 10 nm along the 〈001〉 direction in the (100) plane.

Amorphous Ti66Nb13Cu8Ni6.8Al6.2 alloy powders with different tungsten carbide (WC) contents were synthesized by mechanical alloying. Outstanding differences in particle size, thermal stability, glass-forming ability, and phase evolution are found for the synthesized Ti-based glassy powders with different WC contents. This is attributed to the fact that the WC was partially alloyed into the glassy matrix and the matrix element Ti was also partially alloyed into the WC particles. The obtained glassy powders exhibit a wide supercooled liquid region above 64 K. Meanwhile, the main crystalline phase is the ductile β-Ti with a high volume fraction in the crystallized alloy powders. These two aspects offer the possibility of easily preparing a plasticity-enhanced bulk composite in the supercooled liquid region by powder metallurgy, which couples the nanosized WC particles with in situ precipitated ductile β-Ti phase.

Ti–Si–O thin films were deposited using an aerosol chemical vapor deposition process at atmospheric pressure. The film structure and microstructure were analyzed using several techniques before and after thermal annealing. Diffraction results indicate that the films remain x-ray amorphous after annealing, whereas Fourier transform infrared spectroscopy gives evidence of a phase segregation between amorphous SiO2 and well-crystallized anatase TiO2. Crystallization of anatase TiO2 is also clearly shown in the Raman spectra. Transmission electron microscopy analysis indicates that anatase TiO2 nanograins are embedded in a SiO2 matrix in an alternated SiO2/TiO2 multilayer structure.

Small-scale depth-sensing indentation (nanoindentation) is a popular technique for measuring the mechanical properties of a wide range of materials. Contact mechanics solutions used in data analysis are based on the indentation of a homogeneous half-space, but the experiments are frequently conducted on mineralized biological tissues—biocomposite materials with nanometer-scale features—such as bone and dentin. The current study examines the experimental indentation response of bone across orders of magnitude in contact dimension length-scale, from nanometers to micrometers. Scaling arguments are used to establish the need for nanoscale simulations of mineralized tissue indentation. A finite element model of an inhomogeneous contact problem is developed and used to interpret experimental indentation data on bone and dentin. Both experimental data and modeling results demonstrate a convergence in apparent elastic modulus at increasing contact length-scales. Models results are used to estimate a feature size associated with inhomogeneity of the indentation response; for experiments conducted here the characteristic feature size is found to be substantially larger for bone than for dentin, and in both cases larger than for individual nanometer-scale mineral platelets.