Since in instrumented indentation the contact area is indirectly measured from the contact depth, the natural and unavoidable roughness of real surfaces can induce some errors in determining the contact area and thus in calculating hardness and Young's modulus. To alleviate these possible errors and evaluate mechanical properties more precisely, here a simple contact model that takes into account the surface roughness is proposed. A series of instrumented indentations were made on W and Ni samples whose surface roughness is intentionally controlled, and the results are discussed in terms of the proposed model.

Piezoresponse atomic-force microscopy (PFM) has been used to characterize the local piezoelectric properties of a novel, nanotube-patterned (“honeycomb”) thin film of BaTiO3 on Ti substrate synthesized hydrothermally at 200 °C. PFM amplitude and phase images, prior to the application of any direct current (dc) field, show ring-shaped piezoelectric regions that correspond to the nanostructure of this film. These results show clearly that the as-synthesized nanotube-patterned BaTiO3 thin film is piezoelectric, with a net spontaneous polarization perpendicular to the film–substrate interface. In addition, polarization switching and hysteresis were observed as a function of applied dc field, confirming that this novel fabrication procedure results in unique configurations of BaTiO3 film that are also ferroelectric.

Herein we propose an alternate simpler mechanism for a new phenomenon we reported recently in this journal [Z.M. Sun, S. Gupta, H. Ye, and M.W. Barsoum, J. Mater. Res.20, 2618 (2005)]. The presence of freestanding Ga nanoribbons on Cr2GaC surfaces were found to be the leftover skins of Ga whiskers or spheres that were reabsorbed into the Cr2GaC grain boundaries, most likely as a result of their melting.

The acute Zn concentration sensitivity of the reaction between Sn-based solders and Cu substrate is reported and explained in this article. Three Sn-xZn solders (x = 0.5, 0.7, and 2 wt%) were reacted with Cu substrates at 250 °C for 2–10 min. A slight variation in the Zn concentration changed the reaction product formed at the interface. When the Zn concentration was low (x = 0.5 wt%), the reaction product was Cu6Sn5. When the Zn concentration was slightly increased to 2 wt%, the reaction product became Cu5Zn8. When Zn concentration was in-between (x = 0.7 wt%), Cu6Sn5 and CuZn co-existed. The above findings are explained using the Cu–Sn–Zn phase diagram. The implication is that the type of compound forms at the interface can be controlled by adjusting the Zn concentration of the Sn-based solders.

We have proposed in 1992 that nanoparticles of layered compounds will be unstable against folding and close into fullerene-like structures and nanotubes (IF). Nanotubes and fullerene-like structures were prepared from numerous compounds with layered and recently also non-layered structure by various groups. Much progress has been achieved in the synthesis of inorganic nanotubes and fullerene-like nanoparticles of WS2 and MoS2 and many other metal dichalcogenides over the last few years. Substantial progress has been accomplished in the use of such nanoparticles for tribological applications and lately for impact resilient nanocomposites. These tests indicated that IF-MoS2 and IF-WS2 are heading for large scale applications in the automotive, machining, aerospace, electronics, defense, medical and numerous other kinds of industries. A few products based on these nanoparticles have been recently commercialized by “ApNano Materials, Inc”. Novel applications of inorganic nanotubes and fullerene-like nanoparticles in the fields of catalysis; microelectronics; Li rechargeable batteries; medical and opto-electronics will be discussed.

Sintered compacts of nano-sized and micron-sized BaTiO3 show sharp ferroelectric transition and high dielectric constant at specific compositions. The sintered compacts with 1 wt% nano-BaTiO3 show a maximum dielectric constant of 1680. At the transition temperature (Tc) there are two maxima at 0.5 and 2 wt%. The variation in the dielectric constant at Tc is also reflected in the behavior of the ferroelectric transition as studied by differential scanning calorimetry. This interesting oscillatory variation of the dielectric constant and dielectric loss with increase in the amount of nanoparticles in the sintered compacts is observed for the first time. The variation of the dielectric properties and the ferroelectric transition of the sintered compacts could be related to subtle changes in the microstructure.

ZnO thin films have been grown by metalorganic chemical vapor deposition (MOCVD) and plasma-assisted (PA) MOCVD on c-axis-oriented sapphire (0001) and Si (001) substrates using the novel Zn(2-thenoyltrifluoroacetonate)2·N,N,N′,N′-tetramethylethylendiamine precursor. The structural, morphological, and optical properties of ZnO films have been investigated. The results show that the O2 PA growth results in highly c-axis-oriented hexagonal ZnO thin films also on cubic substrates. PA-MOCVD ZnO films have good optical properties, as inferred by the presence of a sharp and intense exciton in the dielectric function.

Piezoelectric nanoindentation (PNI) has been developed to quantitatively address electromechanical coupling and pressure-induced dynamic phenomena in ferroelectric materials on the nanoscale. In PNI, an oscillating voltage is applied between the back side of the sample and the indenter tip, and the first harmonic of bias-induced surface displacement at the area of indenter contact is detected. PNI is implemented using a standard nanoindentation system equipped with a continuous stiffness measurement system. The piezoresponse of polycrystalline lead zirconate titanate (PZT) and BaTiO3 piezoceramics was studied during a standard nanoindentation experiment. For PZT, the response was found to be load independent, in agreement with theoretical predictions. In polycrystalline barium titanate, a load dependence of the piezoresponse was observed. The potential of piezoelectric nanoindentation for studies of phase transitions and local structure-property relations in piezoelectric materials is discussed.

Carbon nanofibers (CNFs) were synthesized by both high-density plasma-enhanced chemical vapor deposition (CVD) and thermal CVD. The growth in the former was carried out in an inductively coupled plasma (ICP) reactor. The multilayer loop structure, which was reported to be found on both the inner and outer surfaces of cup-stacked-type CNFs grown using thermal CVD only after heat treatment above 1500 °C, was observed in the as-grown CNFs only on the outer surface using ICP-CVD. The dangling bonds caused by plasma etching and the bonding between edge carbon atoms aided by the high-density plasma are considered the main reasons of the formation of multilayer loops.

We report the fabrication of Mg-doped NdBCO generic seed crystals, which have been developed recently for the fabrication of any rare earth (RE) based (RE)-Ba-Cu-O single-grain superconductor, with a wide range of Nd1+xBa2-xCu3-yMgyO7-δ compositions. Three basic characteristics of the seed crystals required for effective seeding of bulk (RE)BCO materials were studied in detail. We report the chemical, crystallographic, microstructural, and superconducting properties of the seeds and demonstrate clearly their potential to process various (RE)BCO superconductors in single-grain form. The melting point, volume fraction of Mg-rich inclusions in the bulk microstructure, and the chemical composition of the Nd1+xBa2-xCu3-yMgyO7-δ superconducting matrix of the seed crystals were studied as a function of initial MgO content. Finally, the suitable range of MgO-content within the generic seed crystal that controls effectively the orientation of the seeded grain without compromising its superconducting properties relative to those of the Mg-free compound is identified based on the wide range of seed crystal compositions investigated.

This paper provides an introduction for non-experts to first-principles electronic structure methods that are widely used in condensed-matter physics. Particular emphasis is placed on giving the appropriate background information needed to better appreciate the use of these methods to study actinide and other materials. Specifically, the underlying theory is described in sufficient detail to enable an understanding of the relative strengths and weaknesses of the methods. In addition, the meaning of commonly used terminology is explained, including density functional theory (DFT), local density approximation (LDA), and generalized gradient approximation (GGA), as well as linear muffin-tin orbital (LMTO), linear augmented plane wave (LAPW), and pseudopotential methods. Methodologies that extend the basic theory to address specific limitations are also briefly discussed. Finally, a few illustrative applications are presented, including quantum molecular dynamics (QMD) simulations and studies of surfaces, impurities, and defects. The paper concludes by addressing the current controversy regarding magnetic calculations for actinide materials.

Teflon AF/Ag nanocomposites with various metal concentrations were fabricated by an evaporation process. Transmission electron microscopy examination showed that for low metal concentrations, the silver formed isolated individual nanoparticles. At higher metal concentrations, percolating metallic networks within the polymer matrix were formed. Optical absorption measurements showed a transition from individual plasmon absorption peaks for individual Ag nanoparticles to broadband optical absorption for the metallic networks. The absorption profile closely matches the solar radiation spectrum for an intermediate metal concentration of 45%. Thus, these novel polymer-metal nanocomposites have significant potential for photovoltaic applications.

The mechanical behavior of a helically perforated thin film structure was simulated by finite element analysis. The validity of the results was confirmed by comparison to a nanoindentation measurement performed on a nickel helically perforated thin film sample. It was found that variation of the helical pitch angle from 35° to 70° resulted in a change of 1.5 times in the elastic modulus. Since the fabrication process used to create the actual samples allows for variation of the pitch angle, this result may enable the tailoring of materials for use in micro- and nanoscale devices.

Mode I steady crack growth was analyzed to determine the toughening due to domain switching in ferroelectric ceramics. A multi-axial, electromechanically coupled, incremental constitutive theory is applied to model the material behavior of the ferroelectric ceramic. The constitutive law is then implemented within the finite element method to study steady crack growth. The effects of mechanical and electrical poling on the fracture toughness are investigated. Results for the predicted fracture toughness, remanent strain distributions, and domain switching zone shapes and sizes are presented. Finally, the model predictions are discussed in comparison discrete switching models and to experimental observations.

An Al–Mg–Si alloy was annealed to various solutionized and aged states and was then severely plastically deformed by equal channel angular pressing (ECAP). These materials were subsequently annealed for a range of times and temperatures to induce precipitation, dislocation recovery, and grain growth, with changes of mechanical behavior followed by tensile testing. Precipitation of excess solute was seen to occur in all cases, independent of the initial heat treated state, but the particles present appear to play only a small role in stabilizing the deformation substructure, at least until significant particle and grain coarsening has occurred, when discontinuous grain coarsening can be provoked. The strength of materials is examined, and the respective contributions of loosely arranged dislocations, many grain boundaries, and dispersed particles are deduced. It is shown that dislocation strengthening is significant in as-deformed, as well as lightly annealed materials, with grain boundary strengthening providing the major contribution thereafter.

From a public health perspective, developing a detailed mechanistic understanding of the well-known increase with age in fracture risk of human bone is essential. This also represents a challenge from materials science and fracture mechanics viewpoints. Bone has a complex, hierarchical structure with characteristic features ranging from nanometer to macroscopic dimensions; it is therefore significantly more complex than most engineering materials. Nevertheless, by examining the micro-/nanostructural changes accompanying the process of aging using appropriate multiscale experimental methods and relating them to fracture mechanics data, it is possible to obtain a quantitative picture of how bone resists fracture. As human cortical bone exhibits rising ex vivo crack-growth resistance with crack extension, its fracture toughness must be evaluated in terms of resistance-curve (R-curve) behavior. While the crack initiation toughness declines with age, the more striking finding is that the crack-growth toughness declines even more significantly and is essentially absent in bone from donors exceeding 85 years in age. To explain such an age-induced deterioration in the toughness of bone, we evaluate its fracture properties at multiple length scales, specifically at the molecular and nano dimensions using vibrational spectroscopies, at the microscale using electron microscopy and hard/soft x-ray computed tomography, and at the macroscale using R-curve measurements. We show that the reduction in crack-growth toughness is associated primarily with a degradation in the degree of extrinsic toughening, in particular involving crack bridging, and that this occurs at relatively coarse size scales in the range of tens to hundreds of micrometers. Finally, we briefly describe how specific clinical treatments, e.g., with steroid hormones to treat various inflammatory conditions, can prematurely damage bone, thereby reducing its fracture resistance, whereas regulating the level of the cytokine Transforming Growth Factor-β can offer significant improvements in the stiffness, strength, and toughness of bone and as such may be considered a therapeutic target to treat increased bone fragility induced by aging, drugs, and disease.

We grew high-quality epitaxial YBa2Cu3O7 (YBCO) superconducting thin films by the trifluoroacetate route on top of chemical solution deposited SrTiO3 buffer layers. We show that high lattice mismatches can be accommodated in heterostructures grown by chemical methods. Clean interfaces were observed between the different layers. The influence of the buffer layer growth conditions on the final superconducting properties was studied in depth. We have proved that the main parameter affecting the YBCO critical currents is the SrTiO3 surface roughness, which promotes the nucleation of a/b axis grains and, as a consequence, the porosity of the YBCO film. On the other hand, an improved dependence of the critical current with perpendicular applied magnetic field was observed. This suggests a strengthened vortex pinning due to a higher density of a/b axis oriented grains.

Low-energy cluster beam deposition (LECBD) is considered an intriguing technique for obtaining thin layers with well-defined structures at the nano- and mesoscale levels, allowing novel optical, electronic, and magnetic properties. The produced layers are highly porous and extremely reactive due to the high surface to volume ratio and must be characterized with in situ techniques to study their original composition and their evolution once exposed to reactive gases. In this work, we present a general overview and some results on the formation, evolution, and deposition of silicon and carbon cluster beams produced using a laser vaporization source.

The search for cleaner and more efficient energy storage and conversion technologies has become an urgent task due to increasing environmental issues and limited energy resources. The aim of energy storage and conversion is to obtain energy with environmental benefit, high efficiency, and low cost (namely, maximum atomic and recycling economy). Progress has been made in the fields of hydrogen storage and rechargeable batteries. The emerging nanotechnology offers great opportunities to improve the performance of existing energy storage systems. Applying nanoscale materials to energy storage offers a higher capacity compared to the bulk counterparts due to the unique properties of nanomaterials such as high surface areas, large surface-to-volume atom ratio, and size-confinement effect. In particular, one- dimensional (1D) inorganic nanostructures like tubes and wires exhibit superior electrochemical characteristics because of the combined advantages of small size and 1D morphology. Hydrogen and lithium can be stored in different 1D nanostructures in various ways, including physical and/or chemical sorption, intercalation, and electrochemical reactions. This review highlights some of the latest progress with the studies of hydrogen and lithium storage in inorganic nanotubes and nanowires such as MoS2, WS2, TiS2, BN, TiO2, MnO2, V2O5, Fe2O3, Co3O4, NiO, and SnO2.

Formation and morphology of D022 compound Ni3V in γ face-centered cubic (fcc) matrix phase were investigated to understand fundamentals for controlling microstructure of alloys strengthened by Kurnakov-type geometrically close-packed (GCP) intermetallics. The D022 phase with plate-shaped morphology coherently precipitates in the γ + D022 two-phase region above the T0 line in Ni–V binary alloys. Due to the negative and positive lattice misfits along the a-axis and the c-axis of D022 (δa < 0 < δc), an invariant line exists between the two phases, and the morphology of D022 phase is changeable by controlling the two factors; the misfit strain ratio δc/δa is a decisive factor to determine the habit plane defined by the invariant line and one of the a-axes of D022, whereas the magnitude of |δa| is responsible for the shape of D022 phase with either prism or plate. These findings were extended to Ni–Fe–Nb–V system by partial replacement of Ni and V with Fe and Nb, respectively.