The effects of soft impingement on precipitation are considered. A physically realistic analytical treatment of soft impingement has been developed for solid-state precipitation in a nonisothermal heating/cooling process following the basic assumptions (i.e., a two-stage transformation including site saturation of nucleation, isotropic growth and linear approximation for a concentration gradient in front of the precipitate/matrix interface). Furthermore, both one- and three-dimensional precipitations have been described using a compact expression which is analogous to Zener’s model but with a temperature-dependent growth coefficient. A detailed description for the model parameters has been given for the model application. Good agreement with published experimental data, for example, the decomposition of austenite in a 0.038–0.30wt%Mn plain carbon steel, has been achieved.

The microstructure and texture evolution in a cold-rolled AZ31 magnesium alloy during electropulsing treatment (EPT) are investigated and correlated with the mechanical properties. The microstructure is effectively refined, and a tilted basal texture develops gradually during EPT. The yield stress in the treated samples is lower than that in the cold-rolled sample, indicating that texture softening is dominant over strengthening because of grain refinement. The phenomenon is primarily the result of the tilted basal texture. EPT improves the tensile ductility of the EPT samples significantly, albeit slightly compromising the tensile strength. The mechanism of the microstructure evolution during electropulsing is discussed from the viewpoint of grain-boundary motion. Moreover, the ductility enhancement is discussed in terms of the deformation mechanism and texture of the Mg alloy.

The effect of repeated melting of master alloy ingots on the bending properties of Zr55Al10Ni5Cu30 bulk metallic glass (BMG) was investigated. The bending plasticity of Zr55Al10Ni5Cu30 BMG was found to be improved with the increased remelting times. When remelted 10 times, the BMG sample cast from the master alloy ingot undergoes bending, but it does not fracture even though the bending angle increases to 100°; the maximum bending stress and elastic strain remain almost constant. The bending plasticity improvement may be attributed to the fact that the increased remelting times result in more free volume and more disorder and homogeneous microstructure in the BMG, which favors the initial nucleation of profuse shear bands and reduces the probability of catastrophic fracture.

Fundamental advances in solid-state ionics for energy conversion and storage are crucial in addressing the global challenge of cleaner energy sources. This review aims to demonstrate the valuable role that modern computational techniques now play in providing deeper fundamental insight into materials for solid oxide fuel cells and rechargeable lithium batteries. The scope of contemporary work is illustrated by studies on topical materials encompassing perovskite-type proton conductors, gallium oxides with tetrahedral moieties, apatite-type silicates, and lithium iron phosphates. Key fundamental properties are examined, including mechanisms of ion migration, dopant-defect association, and surface structures and crystal morphologies.

In a carbon-free economy, nuclear power will surely play a fundamental role as a clean and cost-competitive energy source. However, new-generation nuclear concepts involve temperature and irradiation conditions for which no experimental facility exists, making it exceedingly difficult to predict structural materials performance and lifetime. Although the gap with real materials is still large, advances in computing power over the last decade have enabled the development of accurate and efficient numerical algorithms for materials simulations capable of probing the challenging conditions expected in future nuclear environments. One of the most important issues in metallic structural materials is the degradation of their mechanical properties under irradiation. Mechanical properties are intimately related to the glide resistance of dislocations, which can be increased severalfold due to irradiation-produced defects. Here, we present a combined multiscale study of dislocation-irradiation obstacle interactions in a model system (Cu) using atomistic and dislocation dynamics simulations. Scaling laws generalizing material behavior are extracted from our results, which are then compared with experimental measurements of irradiation hardening in Cu, showing good agreement.

Interface engineering and the study of diffusion and transport processes through and along interfacial regions play important roles in materials science and energy research. For the latter, nanostructured materials are increasingly considered to act as powerful electrodes and solid electrolytes in sustainable energy systems, such as Li ion batteries. This is due to reduced diffusion lengths achieved when going to the nanometer scale and the fact that nanocrystalline materials with an average particle size of less than about 50 nm often show an enhanced diffusivity of their charge carriers. In this article, we show examples of how solid-state nuclear magnetic resonance (NMR) spectroscopy can be used to study the diffusion parameters of Li cations located in the interfacial regions separately from those in the interior of the grains. This article will demonstrate the future challenges and perspectives of Li NMR as a powerful tool of probing dynamic properties in functional materials.

The Rockwell indentation test was used to generate interface delamination in an EB-PVD thermal barrier coating (TBC) system that was thermally cycled between 300 °C and 1050 °C. Luminescence spectroscopy was applied to measure the thermally grown oxide (TGO) stresses in indentation-affected and perfectly bonded regions. Comparison between experimental stress mapping in bonded and delaminated regions by luminescence spectroscopy and finite element analysis was shown and the effect of delamination paths was presented. Zigzag delamination paths alternating between the top TBC-TGO interface and TGO-bond coat interface were shown to induce TGO stress releases and fluctuations in the delaminated region. Luminescence spectroscopy measurements successfully detect such behavior, making it possible to identify nondestructively the size of the delaminated region, the delamination crack front position, and the delamination paths in part.

Truly proton-conducting materials would have an immense impact on sustainable energy technologies for the 21st century, through efficient fuel cells, electrolyzers, and gas-separation membranes. However, proton conduction combined with materials stability seems difficult to achieve, and some hurdles and pathways are outlined in this article. Problems, possibilities, and artifacts of transport across and along interfaces are discussed, linked mainly to space-charge layer properties and engineering of the grain-boundary core and to water in nanovoids. The importance of protons in many semiconducting functional oxides is also explained. At lower temperatures and in humid environments, the presence of protonated cation vacancies (Ruetschi defects) is predicted and is expected to play an important role in photoelectrochemistry, catalysis, and surface transport.

Ca0.5Th0.5VO4 was prepared by a solid-state reaction of component oxides and characterized by powder x-ray diffraction (XRD) at ambient and higher temperatures and impedance spectroscopy. Crystal structure was refined by Rietveld refinements from powder XRD data. At room temperature, Ca0.5Th0.5VO4 has a zircon-type tetragonal (I41/amd) lattice with unit cell parameters: a = 7.2650(1) and c = 6.4460(1) Å. Despite the large charge difference, Ca2+ and Th4+ are statistically distributed over a single site. The crystal structure of Ca0.5Th0.5VO4 is built from the (Ca/Th)O8 (bisdisphenoid) and VO4 tetrahedra. The in situ high-temperature XRD studies on Ca0.5Th0.5VO4 revealed anisotropic thermal expansion behavior with coefficients of thermal expansion αc = 10.96 × 10−6/°C and αa = 5.32 × 10−6/°C. The impedance measurements carried out in the temperature range from ambient to 800 °C indicate semiconducting behavior with appreciable ionic conductivity above 400 °C. The activation energy obtained from the temperature-dependent AC conductivity data is ∼1.37 eV. In wider range of frequencies and temperatures, the relative permittivity of approximately 50 to 60 is observed for Ca0.5Th0.5VO4.

The Ti-6Al-4V sheet alloys were welded by using a common gas tungsten arc welding process. In this work, we study the correlation of corrosion resistance and oxide layer structure produced after commonly used industrial heat treatments. We also study the oxide scales that were formed as a result of the heat-related treatment/aging process. The results indicate that better corrosion resistance of the Ti-6Al-4V alloy weldment can be obtained and significantly improved by a solution treatment plus an artificial aging (ST+AA) treatment, owing to the enhanced intensity of TiO2, V2O5, and Al2O3 oxides that compacted and grew on the surface of fusion zone. The newly found γ-TiAl and α2-Ti3Al particles that nucleated in the fusion zone due to different heat treatments do affect the composition of the oxide layer. The possible mechanism for this oxide layer formation in the fusion zone is discussed.

This article presents an extruded Mg–Gd–Zn–Zr alloy produced by conventional ingot metallurgy, exhibiting high-strength and excellent ductility at room and elevated temperatures. The superplastic behavior was observed in the Mg–Gd–Zn (–Zr) alloy at elevated temperatures above 573 K. In the alloy, both the X phase in grain boundaries and the lamellae within matrix have the 14H-type long-period, stacking-ordered structure. It indicates that the X phase and the lamellae within matrix play important roles in the excellent mechanical properties.

Bonding character, elastic mechanical parameters, ideal strengths, and atomistic shear deformation mechanisms of M3AlN (M = Zr and Hf) were studied by first-principles method. M3AlN exhibits layered chemical bonding character due to the alternately stacking of relatively soft Al–M and strong N–M covalent bonds. The second-order elastic constants and mechanical parameters of M3AlN were reported for the first time. The stress–strain relationships for different deformation modes were studied and the ideal shear and tensile strength were obtained. M3AlN ceramics are predicted to be “quasi-ductile” layered nitrides based on the low shear-modulus-to-bulk-modulus ratios, positive Cauchy pressure (c12–c44), and lower ideal shear strength compared to ideal tensile strength. Investigation of the atomistic shear deformation mechanism of Hf3AlN shows that stretching of soft Al–Hf bonds and relatively weak bridge N–Hf1 bonds dominate the shear deformation; while the rigid N–Hf2 bonds resist against the applied shear strain. Chemical bonding characteristics and shear deformation mechanism of M3AlN are similar with those of other “quasi-ductile” ceramics, such as MAX phases, LaPO4 monazite, and γ-Y2Si2O7. The results further suggest that M3AlN nitrides should be quasi-ductile and damage tolerant.

Amorphous silica shells, used for functionalization of inorganic nanoparticles in bioapplications, were coated on chemically synthesized NaYF4:Yb,Er upconversion fluorescent nanoparticles via a reverse microemulsion method by using dual surfactants of polyoxyethylene (5) nonylphenylether and 1-hexanol, and tetraethyl orthosilicate as precursor. NaYF4:Yb,Er nanoparticles were equiaxed with a particle size of 11.1 ± 1.3 nm. The thickness of silica shell was ∼8 nm. NaYF4:Yb,Er/silica core/shell nanoparticles were well dispersed in solvents such as ethanol and deionized water. The emission intensities of NaYF4:Yb,Er/silica core/shell nanoparticles remained the same as that of uncoated nanoparticles after surface functionalization with an amine group using (3-aminopropyl)-trimethoxysilan. Silica, although providing a good barrier to the nonradiative relaxation between the upconversion nanoparticles and the environments, did not enhance the emission intensity of upconversion nanoparticles. To increase the emission intensity of NaYF4:Yb,Er/silica core/shell nanoparticles, an undoped NaYF4 shell (∼3-nm thick) was deposited on the upconversion nanoparticles before the silica coating. The total emission intensity of NaYF4:Yb,Er/NaYF4/silica core/shell/shell nanoparticles increased by 15 times compared to that without the intermediate NaYF4 shell. The critical shell thickness of NaYF4 was ∼3 nm, beyond which no further emission intensity enhancement was observed.

By using homogeneous electron-beam (EB) irradiation, rapid adhesion between nylon-6 film and polymethyl methacrylate (PMMA) was successfully developed. Effects of homogeneous irradiation of electron beam with low potential (HIEBL) on adhesive strength of different polymers without glue were investigated. HIEBL less than 0.216MJ kg−1 (MGy) increased the adhesive strength and its strain of composites constructed with nylon-6 film and PMMA, although additional HIEBL at more than 0.432 MGy apparently decreased the adhesive strain. HIEBL less than 0.432 MGy also enhanced the elasticity (dσ/dε)o of composites. To evaluate the influence of HIEBL on the adhesive strength, electron spin resonance signals that relate to dangling bonds were observed. Because EB irradiation generated dangling bonds in polymethyl methacrylate and nylon-6, dangling bonds probably acted reactive and bonding sites to each polymer at interface. Therefore, HIEBL enhanced the adhesive strength as well as elasticity of the composites.