The amorphous Si–B–C–N ceramics with a similar Si/C/N atomic ratio and various boron contents of 3.7 and 6.0 at.% B were synthesized and then isothermally annealed at temperatures ranging from 1550 to 1775 °C. The course of crystallization for the modifications of Si3N4 was examined by quantitative analysis of the corresponding x-ray diffraction patterns. Additionally, recent results of similar investigations on the ceramic with 8.3 at.% B were also considered. The kinetic analysis demonstrates that the controlling mechanisms of the Si3N4 crystallization, continuous nucleation and diffusion-controlled growth, are independent of the boron content. Nevertheless, the estimated activation energy of the crystallization significantly increases from 7.8 to 11.5 eV with the amount of boron ranging from 3.7 to 8.3 at.%. It is concluded that the role of boron in the crystallization kinetics is mainly due to the effect of boron on the nucleation process. Beside the kinetic analysis, the correlation between the boron content and the Si3N4 crystallite size has been discussed.

The objective of this study was to identify the microstructural mechanisms controlling Ω precipitates’ contribution to the high strength and ductility of Al–Cu–Mg–Ag alloys subjected to high impact loading conditions. Three interrelated approaches were used: (i) HRTEM imaging of deformed Ω precipitates in ballistically impacted Al–Cu–Mg–Ag plates, (ii) microstructurally based finite element (FE) analysis based on specialized crystalline plasticity formulations, and (iii) molecular dynamics (MD) simulations of dislocation nucleation and emission. The FE and MD simulations detail the evolution of dislocation densities and dislocations at the Al/Ω interface, which are consistent with the experimentally observed multiplicity of shear cutting of thin Ω precipitates. Furthermore, the FE results indicate that unrelaxed tensile strains at the Al/Ω interface can inhibit localized deformation in the alloy.

Strain evolution in 0.45-μm-thick, 2-μm-wide, and 100-μm-long Cu conductor lines with a passivation layer has been investigated using synchrotron x-ray microdiffraction. A moderate electromigration-current density of 2.2 × 105 A/cm2 was used to minimize Joule heating in the Cu conductor lines. After 120 h of current flowing in the Cu lines at 270 °C, measurements show strain relaxation and homogenization occurring in the Cu lines with current flowing, but not in Cu conductor lines without current. Stronger interaction between electrons with Cu atoms in areas with higher strains was proposed to explain the observation.

An ecofriendly process has been successfully developed to synthesize the polycrystalline silver nanopolyhedrons with a high yield at large scale. By using tannic acid in the presence of poly (vinyl pyrrolidone) (PVP), high quality silver nanopolyhedrons were obtained in an aqueous one-pot reaction without any templates or auxiliaries. The film made from the silver nanostructures exhibits an electrical conductivity higher than 104 S/cm on both rigid and flexible substrates. The supreme mechanical strength of this silver film recommends its wide application in printing and flexible electronics.

The three-dimensional structure of crack tip dislocations in single crystal silicon was observed by combining high-voltage electron microscopy and tomography. It was revealed that dislocations cross-slipped proximal to the crack tip even in the initial stages of plastic deformation. The local stress intensity factor along the crack front was calculated by taking into account the experimentally determined dislocation character. Based on these observations and calculations, a model to account for the sequential multiplication of dislocation sources along the crack front is proposed.

Weak-beam dark-field images of dislocations interacting with particles acquired over a large angular range were used to reconstruct tomograms, which were then used as the basis to construct a three-dimensional (3D) model of the dislocation structure. These capabilities facilitate viewing the dislocation structure from different directions, recovering the information lost in the electron beam direction. Coupling these capabilities and a method to include the specimen coordinate system within them with conventional dislocation analysis enables a full characterization of the dislocation microstructure in three dimensions. This approach is used to understand the 3D nature of the interaction of dislocations and a twist boundary with Al3Sc particles in an Al–Mg–Sc alloy.

Evolution of deformation texture in commercially pure titanium with submicron grain size (SMG) was studied using x-ray diffraction (XRD) and electron back scatter diffraction (EBSD) methods. The material was deformed by rolling at room temperature. The deformation mechanism was found to be slip dominated with a pyramidal <c + a> slip system facilitating plastic deformation. No evidence of tensile or compressive twinning was detected, as generally seen in the case of titanium with conventional microcrystalline grain size. The absence of twinning and the propensity of the pyramidal <c + a> slip system in the SMG Ti is attributed to the lack of coordinated motion of zonal partial dislocations that leads to twinning.

The thermal stability, glass-forming ability (GFA), mechanical properties and Poisson’s ratio of a Zr-based Zr75−xNi25Alx (x = 0 to 24) glassy alloy series have been investigated systematically. The large supercooled liquid region (ΔTx) of over 80 K and critical sample diameter (dc) for glass formation above 10 mm were obtained in a composition range of x = 11 to 21. The maximum dc of 15 mm was formed for an off-eutectic Zr60Ni25Al15 alloy, which had the largest ΔTx and γ value, along with the lowest density change upon crystallization. The bulk glassy alloys exhibited high compressive yield strength (σc,y) of 1662 to 2060 MPa and distinct plastic strain (εc,p) of 1.2 to 4.7%. With increasing Al content, the σc,y and Young’s modulus linearly increased, while the εc,p gradually decreased. The εc,p was found to have a good correlation with the Poisson’s ratio.

Ni- and Cu-free Zr–Al–Co–Ag bulk metallic glasses (BMGs) with diameters up to 20 mm were synthesized by copper mold casting. The effects of Ag alloying on the superior glass-forming ability (GFA) of Zr–Al–Co–Ag alloys were studied based on the localized atomic structure and crystallization behavior. High-energy synchrotron radiation x-ray diffraction result reveals that Ag addition in Zr–Al–Co system results in a more homogeneous local atomic structure, which could be an origin for the improved GFA of the Zr–Al–Co–Ag alloy. Crystallization products of the Zr–Al–Co–Ag glassy alloy are more complex than those of the Zr–Al–Co glassy alloy. The Zr–Al–Co–Ag BMGs free from highly toxic elements Ni and Cu exhibited a combination of superior GFA, high compressive fracture strength over 2000 MPa, low Young’s modulus of 93 to 94 GPa, and good corrosion resistance in phosphate-buffered solution (PBS), inspiring their potential biomedical applications.

An n-body Cu–Zr–Ti potential is constructed and applied to evaluate a glass-forming composition range (GFR) of the Cu–Zr–Ti ternary system by molecular dynamics simulations using a solid-solution model, which is formed via random substitution of solvent atoms by a certain number of solute atoms. It is found that the GFR of the Cu–Zr–Ti ternary system is located within an approximate distorted quadrilateral composition region, in which the solid solutions are unstable and spontaneously collapse to form amorphous phases. The compositions of the four vertexes of the distorted quadrilateral are determined to be Cu22Zr78Ti0, Cu24Zr0Ti76, Cu56Zr0Ti44, and Cu72Zr28Ti0, respectively. In addition, the simulation results are in good agreement with the experimental observations and compatible with some empirical rules.

Transport properties in the a-b plane of Nd0.75Sr1.25CoO4 thin film as fabricated via a pulsed laser deposition technique have been investigated by means of measurements of resistivity and thermopower, respectively, in the temperature ranges of 76-300 and 80-310 K. The thermopower of the specimen revealed a mechanism of spin-dependent scattering of the charge carriers where its conduction could be well interpreted by the small polaron hopping conduction in the nonadiabatic regime at high temperatures and the two-dimensional variable range hopping of small polarons at low temperatures. Possible mechanisms for the polaronic conduction were also discussed in the article where several physical parameters of the specimen were determined using a small polaron hopping model and a better understanding of the strongly correlated electron system was achieved.

La2NiMnO6 (LNMO) was prepared by a combustion method followed by heating at high temperature. Subsequently, the preformed LNMO was annealed in air, oxygen, or N2 atmosphere and characterized by powder x-ray diffraction (XRD), neutron diffraction, superconducting quantum interference device magnetometry, and dielectric analysis. Structural studies by XRD and neutron diffraction revealed the coexistence of partially cation disordered monoclinic (31%) and rhombohedral (69%) phases in the sample annealed in air. However, the sample annealed in oxygen shows about 50:50% of monoclinic and rhombohedral phases. Relaxor-like behavior with relative permittivity of the order of 104 was observed in the sample annealed in air, while relative permittivity decreases to about 200 in samples annealed in oxygen atmosphere. The magnetic properties indicate a well-defined ferromagnetic phase in the oxygen-annealed sample compared to a feeble ferromagnetic signature in the air-annealed one. The dielectric and ferromagnetism of LNMO samples have been related to formation and annihilation of oxygen vacancies.

Mn-doped γ-Ga2O3 thin films with a defective spinel structure have been epitaxially grown on spinel (100) substrates using pulsed laser deposition. The crystal quality of the films is strongly dependent on preparation conditions, particularly substrate temperature and laser energy density, as well as Mn concentration. In the 7 cation% Mn-doped film grown under the optimized conditions, the full width at half maximum in the x-ray diffraction rocking curve for the (400) plane is 117 arcsec and the root-mean-square roughness of the surface is approximately 0.4 nm. These values are comparable to those of the spinel substrate. The film shows a uniform tetragonal distortion with a tetragonality of 1.05.

We report on the enhanced dielectric constant and electrical resistivity of the Co-ferrite (CoO.Fe2O3) by partially substituting Fe with La. Structural characteristics of La-doped Co ferrite namely CoO.Fe1.925La0.075O3 indicate the cubic inverse spinel phase with a small amount of LaFeO3 additional phase. The lattice parameter obtained is 8.401 Å (±0.001 Å), which is higher than that reported for Co ferrite (8.387 Å, ±0.001 Å). The dielectric constant and electrical resistivity of CoO.Fe1.925La0.075O3 are higher compared with pure Co ferrite. The dielectric constant dispersion of CoO.Fe1.925La0.075O3 in the frequency range of 100 Hz to 1 MHz fits to the modified Debye’s function with more than one ion contributing to the relaxation. Temperature-dependent electrical resistivity curves exhibit two distinct regions indicative of two different types of conduction mechanisms. Analysis of the data indicates that the small polaron and variable-range hopping mechanisms are operative in the 220 to 300 K and 160 to 220 K temperature regions, respectively.

Polycrystalline BaTiO3 thin films have been prepared by hydrothermal reaction with sputter-deposited nanostructured reactive Ti templates designed to control net diffusion direction and distance. Templates were prepared in two morphologies, i.e., planar and nanopillar. The samples produced from flat templates showed sluggish transformation kinetics and an eventual termination of reaction without fully consuming the Ti metal. Templates with pillar morphology, on the other hand, could be transformed to phase-pure BaTiO3, independent of the template thickness. In the as-precipitated state, those films revealed a permittivity of ~1000 and loss tangent values around 0.1 with mild dispersion in the kilohertz frequency range. Annealing these films under forming gas containing 1 vol% H2 balance N2 for 3 h at 200 °C decreased high-field losses to 0.06 and reduced dispersion. Mn incorporation as an in situ acceptor dopant was also explored. Addition of Mn during hydrothermal treatment further improved the electrical properties. Annealing under the same postgrowth conditions virtually eliminated the frequency dispersion in the range of 1 kHz to 1 MHz, while maintaining permittivity values in the range of 350.

Equilibrium thermodynamic calculations, coupled to a kinetic model for the dissolution rates of clinker phases, have been used in recent years to predict time-dependent phase assemblages in hydrating cement pastes. We couple this approach to a 3D microstructure model to simulate microstructure development during the hydration of ordinary portland cement pastes. The combined simulation tool uses a collection of growth/dissolution rules to approximate a range of growth modes at material interfaces, including growth by weighted mean curvature and growth by random aggregation. The growth rules are formulated for each type of material interface to capture the kinds of cement paste microstructure changes that are typically observed. We make quantitative comparisons between simulated and observed microstructures for two ordinary portland cements, including bulk phase analyses and two-point correlation functions for various phases. The method is also shown to provide accurate predictions of the heats of hydration and 28 day mortar cube compressive strengths. The method is an attractive alternative to the cement hydration and microstructure model CEMHYD3D because it has a better thermodynamic and kinetic basis and because it is transferable to other cementitious material systems.