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The effects of trace La additions on the microstructures and mechanical properties of Cu–0.2 wt% Zr alloy have been investigated. Traditional thermo-mechanical processing was applied to the Cu–Zr alloys. Isochronal aging and isothermal aging were used to optimize the aging conditions. According to the hardness and conductivity tests, the optimized aging condition should be 150 min isothermal holding at 400 °C following 85% cold-rolling. If the as-cast sample is subjected to aging, the addition of La obviously refines the microstructures. After cold-rolling, however, the La addition has no significant effects on the grain size of the aged sample. SEM and TEM are combined to observe the distribution and morphology of the precipitates, which are identified to be Cu5Zr. The addition of La can improve the hardness and conductivity simultaneously in the as-cast samples after aging, while it improves the hardness and strength and decreases the conductivity slightly in the cold-rolled samples after aging. XRD and TEM results show that the lattice parameter and the dislocation density are increased by the addition of La.
Using nanoparticulate TiO2 films, the photocatalytic growth of Ag nanoparticles (NPs) in the AgNO3 aqueous solution has been studied in terms of reduction, nucleation, and coalescence. It was proved that Ag primary particles were formed in a growth time of <1 s after the photocatalysis started. The growth dynamics was found to be critical for isotropic and anisotropic growth of Ag NPs, depending on the AgNO3 concentration and surface properties of TiO2 films. In the AgNO3 solutions of ≤300 mg/L, the isotropic growth dominates the growth dynamic behavior, producing irregularly spherical Ag NPs. In the AgNO3 solutions of ≥400 mg/L, the increased reduction rate promotes the formation of Ag nanoplates in the product. Ostwald ripening and oriented attachment were suggested to be the mechanisms dominating the isotropic and anisotropic growth, respectively. A photocatalytic growth model of Ag NPs was proposed by taking Ag atom and Ag+ ion diffusion into consideration. The plasmonic properties of the Ag–TiO2 films were studied in terms of extinction, surface enhanced Raman scattering, and fluorescence enhancement.
Cu-paddle-wheel-based Cu3(BTC)2 (nicknamed Cu-BTC, where BTC ≡ benzene 1,3,5-tricarboxylate) is a metal organic framework (MOF) compound that adopts a zeolite-like topology. We have determined the pore-size distribution using the Gelb and Gubbins technique, the microstructure using small-angle neutron scattering and (ultra) small-angle X-ray scattering (USAXS\SAXS) techniques, and X-ray powder diffraction reference patterns for both dehydrated d-Cu-BTC [Cu3(C9H3O6)2] and hydrated h-Cu-BTC [Cu3(C9H3O6)2(H2O)6.96] using the Rietveld refinement technique. Both samples were confirmed to be cubic Fm$\bar 3$m (no. 225), with lattice parameters of a = 26.279 19(3) Å, V = 18 148.31(6) Å3 for d-Cu-BTC, and a = 26.3103(11) Å, and V = 18 213(2) Å3 for h-Cu-BTC. The structure of d-Cu-BTC contains three main pores of which the diameters are approximately, in decreasing order, 12.6, 10.6, and 5.0 Å. The free volume for d-Cu-BTC is approximately (71.85 ± 0.05)% of the total volume and is reduced to approximately (61.33 ± 0.03)% for the h-Cu-BTC structure. The d-Cu-BTC phase undergoes microstructural changes when exposed to moisture in air. The reference X-ray powder patterns for these two materials have been determined for inclusion in the Powder Diffraction File.
ID11 is a multi-purpose high-energy beamline at the European Synchrotron Radiation Facility (ESRF). Owing to the high-energy X-ray source (up to 140 keV) and flexible, high-precision sample mounting which allows small sample–detector distances to be achieved, experiments such as total scattering in transmission geometry are possible. This permits the exploration of a wide Q range and so provides high real-space resolution. A range of samples (glasses and crystalline powders) have been measured at 78 keV, first putting the detector as close as possible to the sample (~10 cm), and then moving it vertically and laterally with respect to the beam in order to have circular and quarter circle sections of diffraction rings, with consequent QMAX at the edge of the detector of about 16 and 28 Å−1, respectively. Data were integrated using FIT2D, and then normalized and corrected with PDFgetX3. Results have been compared to see the effects of Q-range and counting statistics on the atomic pair distribution functions of the different samples. A Q of at least 20 Å−1 was essential to have sufficient real-space resolution for both type of samples while statistics appeared more important for glass samples rather than for crystalline samples.
A powder obtained by ball milling a commercial FeMo alloy has been identified and investigated as possible reference material for powder diffraction line profile analysis. Ball milling yields micrometer-scale agglomerate particles made of rounded nanocrystalline domains with extensive lattice defects, so as to produce both size and strain contributions to the line profiles. The capability of a modern whole-powder pattern modeling to accurately quantify those aspects and the stability of the powder over a decade are shown and discussed.
This article aims to provide a fundamental understanding of the deformation mechanisms of NiTi shape memory alloy (SMA) during the wear process at different temperatures when different microstructures are present. Three temperature regimes were selected namely, T < Mf, As < T < Af, and T > Af, where fully martensitic, martensite co-existing with austenite, and fully austenitic microstructures were formed, respectively. When T < Mf, it was observed that the coefficient of friction had decreased initially and thereafter stabilized at a lower value with increasing wear cycles. More decrease was found when the temperature was near to As. Furthermore, when tested above Af, the coefficient of friction had decreased more significantly under higher load. Difference in the trend of coefficient of friction at different temperatures is originated from the different deformation mechanisms involved in the wear process, particularly the martensite detwinning process, the stress-induced phase transformation process, and the plastic deformation of martensite.
Predicting the impact of cross-links on the mechanics of carbon nanotube-based materials is a challenging endeavor, as the micro- and nanostructure is composed of continuous nanofibers, discontinuous interfaces, and covalent bridges. Here we demonstrate a new modeling solution in the context of the distinct element method (DEM). By representing nanotubes as bonded cylinder segments undergoing van der Waals adhesion, viscous friction, and contact bonding, we are able to simulate how cross-linking transforms a soft bundle into a strong one. We predict that the sp3-sp cross-links formed by interstitial carbon atoms can improve the tensile strength by an order of magnitude, in agreement with experiment and molecular dynamics simulations. The DEM methodology allows performing the multiscale simulation needed for developing strategies to further enhance the mechanical performance.
Five well-known Zr-based alloys of the systems Zr–Cu–Al–(Ni–Nb, Ni–Ti, Ag) (Cu = 15.4–36 at.%) with the highest glass-forming ability were comparatively analyzed regarding their pitting corrosion resistance and repassivation ability in a chloride-containing solution. Potentiodynamic polarization measurements were conducted in the neutral 0.01 M Na2SO4 + 0.1 M NaCl electrolyte and local corrosion damages were subsequently investigated with high resolution scanning electron microscopy (HR-SEM) coupled with energy dispersive x-ray spectroscopy (EDX). Both pitting and repassivation potential correlate with the Cu concentration, i.e., those potentials decrease with increasing Cu content. Pit morphology is not composition dependent: while initially hemispherical pits then develop an irregular shape and a porous rim. Corrosion products are rich in Cu, O, and often Cl species. A combination of low Cu and high Nb or Ti contents is most beneficial for a high pitting resistance of Zr-based bulk metallic glasses. The bulk glassy Zr57Cu15.4Al10Ni12.6Nb5 (Vit 106) and Zr52.5Cu17.9Al10Ni14.6Ti5 (Vit 105) alloys exhibit the highest pitting resistance.
Properties of a special double-crystal (DC) monochromator employing bent-perfect crystals of Si in (1, −1) and (n, −m) settings are presented. The first monochromator was the bent Si(111) crystal (4 mm thickness) and the second one was in the form of a sandwich consisting of two bent Si(111) and Si(220) slabs (2 and 1.3 mm thickness, respectively). It has been found that by a simple exchange of diffraction conditions on the second monochromator one can use either Si(111) + Si(111) bent crystals in (1, −1) setting providing good luminosity and worse diffractometer resolution or Si(111) + Si(220) bent crystals in quasi-dispersive (n, −m) setting providing very good diffractometer resolution and correspondingly weaker luminosity. It has been found that besides an excellent focusing and reflectivity properties of the dispersive double-bent-crystal setting the obtained monochromatic neutron current is sufficiently high for diffraction experiments even at the medium-power research reactor.
The importance of software continues to grow for all areas of scientific research, no less for powder diffraction. Knowing how to program a computer is a basic and useful skill for scientists. This paper explains the three approaches for programming languages and why scripting languages are preferred for non-expert programmers. The Python-scripting language is extremely efficient for science and its use by scientists is growing. Python is also one of the easiest languages to learn. The language is introduced, as well as a few of the many add-on packages available that extend its capabilities, for example, for numerical computations, scientific graphics, and graphical user interface programming. Resources for learning Python are also provided.
Arrangement and conformational interactions of carbon nanotubes (CNTs) and matrix upon electrospinning have been examined by surface-sensitive helium ion microscopy (He-IM). The enhanced surficial information is mostly a consequence of convoluted topographic sensitivity and reduced electrostatic charging, resulting from He ion–matter interactions. In addition, we have explored the correlation of findings by He-IM imaging with secondary electron microscopy (SEM), transmission electron microscopy (TEM), and near edge x-ray absorption fine structure (NEXAFS) spectroscopy; the latter encouraged by similar sampling depth profiles in both techniques. This study provides further evidence of strong conformational relations between filler and matrix (which we have reported recently) and of the presence of a tightly bound polymeric phase interaction between the CNT and the bulk matrix. We conclude that both the absence of electrostatic charging and enhanced surface sensitivity in He-IM offer a remarkable opportunity to study electrospinning dynamics in nanocomposites.
The evolution of the 003 reflection of the layered Li(Ni,Co,Mn)O2 (CGR) and Li(Ni,Co,Al)O2 (NCR) cathodes in commercial 18650 lithium-ion batteries during charge/discharge were determined using in situ neutron powder diffraction. The 003 reflection is chosen as it is the stacking axis of the layered structure and shows the largest change during charge/discharge. The comparison between these two cathodes shows that the NCR cathode exhibits an unusual contraction near the charged state and during the potentiostatic step, where the potentiostatic step is recommended by the manufacturer. This feature is not shown to the same degree by the CGR cathode. The behavior is likely related to the compositions of these cathodes, the amount of Li/Ni site mixing and the presence of Al or Mn.
Ongoing software developments for creating three-dimensional (3D) printed crystallographic models seamlessly from Crystallographic Information Framework (CIF) data (*.cif files) are reported. Color versus monochrome printing is briefly discussed. Recommendations are made on the basis of our preliminary printing efforts. A brief outlook on new materials for 3D printing is given.
The overarching aim of biomimetic approaches to materials synthesis is to mimic simultaneously the structure and function of a natural material, in such a way that these functional properties can be systematically tailored and optimized. In the case of synthetic spider silk fibers, to date functionalities have largely focused on mechanical properties. A rapidly expanding body of literature documents this work, building on the emerging knowledge of structure–function relationships in native spider silks, and the spinning processes used to create them. Here, we describe some of the benchmark achievements reported until now, with a focus on the last five years. Progress in protein synthesis, notably the expression on full-size spidroins, has driven substantial improvements in synthetic spider silk performance. Spinning technology, however, lags behind and is a major limiting factor in biomimetic production. We also discuss applications for synthetic silk that primarily capitalize on its nonmechanical attributes, and that exploit the remarkable range of structures that can be formed from a synthetic silk feedstock.
The nanoscale precipitation induced by 1.8 MeV ion irradiation in Cu1−xVx thin films, with x ≈ 0.09 and 0.91, was studied by atom probe tomography. For the Cu91V9 alloys, irradiation in the range of 300–500 °C led to steady-state compositional patterning of V-rich nanoprecipitates. V nanoprecipitates larger than ∼10 nm in diameter, moreover, contained Cu-rich cores, resulting in an unusual “cherry-pit” nanostructure. The number of these pits within one precipitate increased with the precipitate size, but with the volume fraction of pits within a given precipitate remaining roughly constant, from ∼1.5 to 5%. Similar irradiations performed on V91Cu9 also resulted in an enhanced precipitation reaction, but with smaller Cu-rich nanoprecipitates, <3 nm in diameter, and no “cherry pits.” These results are rationalized using recent atomistic simulations that have explored the conditions for stabilizing by ion irradiation “cherry-pit” nanostructures in immiscible A–B alloy systems, such as Cu–V.