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.

Our research is focused on developing computational capabilities for the prediction of properties of energetic materials associated with performance and sensitivity. Additionally, we want to identify and characterize the dynamic processes that influence conversion of an energetic material to products upon initiation. We are attempting to achieve these goals through the use of standard atomistic simulation methods. In this paper, various theoretical chemistry methods and applications to energetic materials will be described. Current capabilities in predicting structures, thermodynamic properties, and dynamic behavior of these materials will be demonstrated. These are presented to exemplify how information generated from atomistic simulations can be used in the design, development, and testing of new energetic materials. In addition to illustrating current capabilities, we will discuss limitations of the methodologies and needs for advancing the state of the art in this area.

In this paper, details are given for the structural evolution of (Ti33Zr33Hf33)70(Ni50Cu50)20Al10, (Ti25Zr25Hf25Nb25)70(Ni50Cu50)20Al10, and (Ti33Zr33Hf33)70(Ni33Cu33Ag33)20Al10 amorphous alloys, part of wider program of alloy development by equiatomic substitution. All three alloys initially crystallize by forming a nanoscale icosahedral phase. However, at higher temperatures, their decomposition sequences differ significantly. The nanoscale icosahedral phase in the (Ti33Zr33Hf33)70(Ni50Cu50)20Al10 alloy decomposes into a mixture of Zr2Cu-type and icosahedral phases. This icosahedral phase still exists after heating up to 970 K, indicating a high thermal stability of this phase. The nanoscale icosahedral phase in the (Ti33Zr33Hf33)70(Ni33Cu33Ag33)20Al10 alloy also transforms into a mixture of Zr2Cu-type and icosahedral phase during the second exothermic reaction but then transforms into a mixture of Zr2Cu-type and Ti2Ni-type phases. The nanoscale icosahedral phase in the (Ti25Zr25Hf25Nb25)70(Ni50Cu50)20Al10 alloy decomposes into a mixture of Ti2Ni-type and MgZn2-type phases during the second exothermic reaction. It is concluded that the formation of the Zr2Cu-type phase retards the decomposition of the nanoscale icosahedral phase, which increases the thermal stability. In contrast, formation of Ti2Ni-type and MgZn2-type phases accelerates the decomposition of the nanoscale icosahedral phase, which decreases its thermal stability.

The effect of Cu added eutectic Sn–9Zn solder reacting with the Ag substrate has been investigated in this study. Three Ag–Zn intermetallic compounds (IMCs), ∈–AgZn3, γ–Ag5Zn8, and ζ–AgZn, were formed on the Sn–9Zn/Ag interface at 260 °C. While Cu was gradually added to the Sn–9Zn alloy, microstructures of intermetallic compounds changed dramatically. The intermetallic compound microstructures became loose and Sn and Cu atoms in the Ag-Zn intermetallic compounds increased. If more than 3 wt% of Cu was added to the Sn-9Zn alloy, Ag-Sn intermetallic compounds were formed on the Ag surface and massive spalling of Ag–Zn IMC layers from the Ag surface occurred in a short reaction time.

In this work, a consumable anode composed of a solid solution of titanium carbide and titanium monoxide was prepared via carbothermic reduction of TiO2. Upon electrolysis, the anode fed Ti2+ into solution and carbon monoxide was generated; no excess carbon remained to contaminate the melt. On the cathode, high-purity titanium (>99.9%) was produced. Our results suggest anode and cathode current efficiencies of 93.5% and 89% respectively, indicating that the method is viable and extremely cost-effective, potentially dropping the cost of titanium to near that of aluminum.

Ferroelectric films are growing in significance as non-volatile memory devices, sensors, and microactuators. The stress state of the film, induced by processing or constraints such as the substrate, strongly affects device behavior. Thus, it is important to be able to model the coupled and constrained behavior of film material. This work presents a preliminary study of the application of micromechanical modeling to ferroelectric films. A self-consistent micromechanics model developed for bulk ferroelectrics is adapted for thin film behavior by incorporating several features of the microstructure, mechanical clamping by the substrate, residual stresses, and the crystallographic orientation of the film.

In this paper, we show for the first time that by using sodium gluconate-assisted solution route, fine, uniform, and single-crystalline tellurium nanorods and nanowires can be synthesized. Sodium gluconate is a green and safe chemical with strong chelating function, and this property may be useful in the fabrication of nanomaterials, especially one-dimensional (1D) nanomaterials. The sodium gluconate acts as both reducing agent and morphology-directing agent and by adjusting the experimental parameters, the lengths and the diameters of the tellurium nanorods could be further controlled in a certain range. This method is a simple and economical route for 1D nanostructure fabrication and might bring about a novel concept for the synthesis of 1D nanostructures with bio-ligand, sodium gluconate.

In the last decade, most publications on the mechanical properties of dental calcified tissues were based on nanoindentation investigation. This technique has allowed a better understanding of the mechanical behavior of enamel, dentin, and cementum at a nanoscale. The indentations are normally carried out using pointed or spherical indenters. Hardness and elastic modulus are measured as a function of indenter penetration depth and from the elastic recovery upon unloading. The unique microstructure of each calcified tissue significantly contributes to the variations in the mechanical properties measured. As complex hydrated biological composites, the relative proportions of the composite components, namely, inorganic material (hydroxyapatite), organic material, and water, determines the mechanical properties of the dental hard tissues. Many pathological conditions affecting dental hard tissues cause changes in mineral levels, crystalline structures, and mechanical properties that may be probed by nanoindentation. This review focuses on relevant nanoindentation techniques and their applications to enamel, dentin, and cementum investigations.

Structural ceramics are considered as potential candidate materials for use in hybrid bearings in rocket turbopumps, operated under high stress in cryogenic environment. The friction and wear-related surface failure is considered as one of the critical factors in selecting the materials for cryo-turbopumps of Space Shuttle Main Engine (SSME). To obtain fundamental understanding of the tribological properties of ceramics in cryogenic environment, a very first set of sliding wear tests were carried out on self-mated Al2O3, a model brittle ceramic material, in liquid nitrogen (LN2) under varying load (2–10 N) and high rotational speed of 2550 rpm, using a newly designed cryogenic tribometer. The present research attempts to answer some important questions: (i) What would be the influence of LN2 on frictional and fracture behavior at sliding contacts? (ii) How does the material removal process occur in LN2 environment? Our experimental results reveal that self-mated alumina exhibits low steady-state coefficient of friction ∼0.13–0.18 and suffers from high wear rate (10−5 mm3/Nm) under the selected testing conditions. The novelty of the present work also lies in presenting some interesting results, for the first time, concerning the deformation and fracture of alumina at cryogenic temperature under high speed sliding conditions. Detailed scanning electronic microscope observation of the worn surfaces indicates that severe damage of both ball and flat occurs in cryogenic environment by transgranular and intergranular fracture. The observed wear behavior is explained in terms of thermal heat dissipation and brittle fracture of alumina in LN2.

First-principles generalized pseudopotential theory (GPT) provides a fundamental basis for transferable multi-ion interatomic potentials in transition metals and alloys within density-functional quantum mechanics. In the central body-centered cubic (bcc) metals, where multi-ion angular forces are important to materials properties, simplified model GPT (MGPT) potentials have been developed based on canonical d bands to allow analytic forms and large-scale atomistic simulations. Robust, advanced-generation MGPT potentials have now been obtained for Ta and Mo and successfully applied to a wide range of structural, thermodynamic, defect, and mechanical properties at both ambient and extreme conditions. Selected applications to multiscale modeling discussed here include dislocation core structure and mobility, atomistically informed dislocation dynamics simulations of plasticity, and thermoelasticity and high-pressure strength modeling. Recent algorithm improvements have provided a more general matrix representation of MGPT beyond canonical bands, allowing improved accuracy and extension to f-electron actinide metals, an order of magnitude increase in computational speed for dynamic simulations, and the development of temperature-dependent potentials.

The instability of interfaces in an ultrafine TiAl-(γ)/Ti3Al-(α2) lamellar structure by straining at room temperature has been investigated using in situ straining techniques performed in a transmission electron microscope. The purpose of this study was to obtain experimental evidence to support the creep mechanisms based upon the interface sliding in association with a cooperative movement of interfacial dislocations, which was proposed previously to rationalize a nearly linear creep behavior of ultrafine lamellar TiAl alloys. The results reveal that the sliding and migration of lamellar interfaces can take place simultaneously as a result of the cooperative movement of interfacial dislocations, which can lead to an adverse effect in the performance of ultrafine lamellar TiAl alloy.

A single elastic modulus is not sufficient for describing the mechanical behavior of a living cell due to its viscoelastic nature and heterogeneity beneath the membrane. In this paper, the nanoscale elastic and viscoelastic behavior of individual living Chinese hamster ovary (CHO-K1) cells in a physiological environment were probed by atomic force microscopy (AFM) indentations at various loading rates. Based on Hertzian fits of the force–distance curves, the apparent elastic modulus of the cells was determined and found to be a function of the loading rate as well as the indentation depth. Notably, contributions from the substrate were negligible up to 50% of the cell thickness. For increased indentation rates and depths, healthy spindle-shaped CHO-K1 cells were found to exhibit an increased change of stiffness, whereas for unhealthy oval- shaped CHO-K1 cells there was little stiffening at equivalent loading rates and depths. Furthermore, a larger hysteresis between the loading and unloading curves was observed with increasing loading rates, which was related to the viscoelastic behavior of CHO-K1 cells. This work demonstrates differences in the rate- and depth-dependent elastic behavior at the nanoscale level between healthy and unhealthy mammalian cells.

Deformation and fracture behavior of Zr41.25Ti13.75Ni10Cu12.5Be22.5 bulk metallic glass and its composite containing transverse tungsten fibers in compression were investigated. The monolithic metallic glass and the tungsten fiber composite specimens with aspect ratios of 2 and 1 are shown to have essentially the same ultimate strength under compression. The damage processes in the bulk metallic glass composite consisted of fiber cracking, followed by initiation of shear band in the glassy matrix mainly from the impingement of the fiber crack on the fiber/matrix interface. The site of the shear band initiation in the matrix is consistent with the prediction of finite element modeling. Evidence is present that the tungsten fiber can resist the propagation of the shear band in the glassy matrix. However, the compressive strain to failure substantially decreased in the present composite compared with the composites containing longitudinal tungsten fibers. Finally, the two composite specimens fractured in a shear mode and almost all the tungsten fibers contained cracks.

Smooth and uniform Ag/AgO nanoshells (about 3–4 nm) on carboxylated polystyrene latex particles were prepared by electrostatic attraction between negatively charged –COO− on the surface of carboxylated polystyrene latex particles and positively charged Ag(NH3)2+ in the solution, and subsequent decomposition of the silver complex. The resultant nanoparticles were characterized with Fourier transform infrared, transmission electron microscopy, scanning electron microscopy, and x-ray diffraction. The effects of reducing agents, the amount of NaOH and temperature on the morphology of hybrid latex particles were discussed.

We report a simple modified polymeric precursor route for the synthesis of highly crystalline and homogenous nanoparticles of lanthanum calcium manganese oxide (LCMO). The LCMO phase formation was studied by thermal analysis, x-ray powder diffraction, and infrared spectroscopy at different stages of heating. These nanocrystallites (average particle size of 30 nm) possess ferromagnetic–paramagnetic transition temperature (Tc) of 300 K, nearly 50 K higher than that of a single crystal. The Rietveld analysis of the powder x-ray diffraction data of the nanopowders reveals significant lattice contraction and reduction in unit cell anisotropy-these structural changes are correlated to the enhancement in Tc.

In this work, we report recent progress in the control of the interface quality between buffer layers and YBa2Cu3O7 (YBCO) thin films grown by the trifluoroacetates route (TFA) and how it influences the critical current Jc of the coated conductors (CCs). We have mainly focused on the two most used cap layers, i.e., CeO2 and SrTiO3. We show that for CeO2 buffer layers, the key for high-quality YBCO epitaxy is to obtain atomically flat (001) terraced CeO2 surfaces. CC YBCOTFA/CeO2sputt/YSZ/CeO2/Ni with Jc (77 K) ∼ 1 MA/cm2 and chemical CC YBCOTFA/CeO2MOD/y-stabilized zirconia and ion beam assisted deposition (YSZIBAD)/stainless steel (SS) with Jc (60 K)=2.3MA/cm2 were obtained. For metalorganic deposited (MOD) SrTiO3 the main issue is to reduce the overall surface roughness that tends to increase film porosity due to an enhanced {100} YBCO nucleation. Improved roughness can be achieved by growing the buffer layers at lower temperatures. An all-chemical CC, YBCOTFA/SrTiO3MOD/BaZrO3MOD/NiO–SOE/Ni, with promising in-plane texture, ΔϕYBCO = 6.6° was grown.

A new approach is proposed to extract the elastic and viscoelastic properties of a polymeric film on a hard substrate using a sharp indentation relaxation test. In the theoretic formulation, a sharp indentation relaxation test on a film/substrate system was interpreted by its equivalent flat-ended punch indentation relaxation test. The radius of the equivalent flat-ended punch was determined by the residual depth of the sharp indentation. A semi-analytical solution for a flat-ended punch relaxation test was derived. Sharp indentation relaxation tests on a polymethyl methacrylate film and a polycarbonate film on a glass substrate were performed. The semi-analytical solution and the experimental results were used to extract the elastic-viscoelastic parameters of the films. The extracted elastic-viscoelastic parameters of both films were found to be in a good agreement with data sheets of the films. The proposed approach provides a simple and yet feasible way to extract “film-only” elastic and viscoelastic properties.

Carbon nanotubes have been shown to be effective broadband optical limiters for nanosecond laser pulses. In this paper, we review the recent developments of carbon nanotube-based optical limiters, in particular the effects of modifying carbon nanotubes for device applications. The techniques used to modify carbon nanotubes mainly include thin film coating, doping, and blending with optical absorbing dye. These modifications can greatly enhance the optical limiting performance of carbon nanotubes, with the goal of fabricating an optimal optical limiter system.

The microstructures of Tl2Ba2Ca1Cu2O8 (Tl-2212) films are very strongly influenced by the processing parameters used to synthesize the superconducting phase and also control the microwave surface resistance values that are of key importance in the application of these materials in high-frequency devices. We report here on detailed studies of how the mesotexture of Tl-2212 films develops during synthesis at 820 and 855 °C. Our key observation is that the microstructure, and hence the superconducting properties, are controlled by the mechanism by which stress is relieved in the films and that apparently perfectly epitaxial films do not have the best microwave performance because in these samples the stress is relieved by macroscopic defects rather than local, low-angle grain misorientations.

Thermally stimulated luminescence (TSL) and electron paramagnetic resonance (EPR) studies were carried out on gamma-irradiated europium-doped yttrium borate samples in the temperature range 300–600 K. TSL studies showed the presence of two glow peaks, a relatively weaker one at 390 K and an intense one at around 550 K. Room-temperature EPR spectrum of irradiated samples revealed the formation of two hole trapped radicals, namely, BO32− and O2−. Temperature variation studies showed drastic reduction in the EPR signal intensities of these radicals around 390 and 550 K indicating thermal destruction of O2− and BO32− radicals, respectively. The observed TSL emission is caused by the recombination of thermally released holes from O2− and BO32− radical ions with electrons. The energy released in electron-hole recombination process is used for the excitation of Eu3+ ion resulting in TSL glow peaks. TSL emission studies confirmed that Eu3+ acts as luminescent center for both the peaks.