In this investigation, we have reported the alloying behavior, phase evolution, and thermal stability of equiatomic AlCoCrFeNiTi high-entropy alloy (HEA). The 40 h milled powder shows good chemical homogeneity with agglomerated particles varying in the range of ∼3–18 μm. The formation of a nanostructured single-phase BCC (a = 2.85 ± 0.01 Å) was observed along with the minor tungsten carbide (WC) phase that formed due to contamination during milling. Thermal stability of the alloy has been studied using dynamic differential scanning calorimetry (DSC) thermogram and in situ X-ray diffraction. It has been found that this HEA is stable up to 600 °C (873 K). Consolidated samples at 1000 °C (1273 K) showed the transformation of body centered cubic (BCC) phase into the B2 (a = 2.87 ± 0.03 Å) phase co-existing with minor hexagonal WC (a = 2.90 Å, c = 2.83 Å) phase.

Microscale testing has enjoyed significant developments, with the majority of testing focused on tensile/compression type tests and little focus on shear testing. With the recent advances in macroscale shear testing, we developed a novel shear structure for evaluating shear properties of bulk materials and films at the microscale. The shear response in single-crystal copper oriented along the [111] direction was found to have a yield strength of ∼180 MPa. Nanocrystalline copper specimens with different orientations showed sensitivity to the film texture with a shear yield strength nearly three times that of single-crystal copper. Shear specimens were fabricated with Cu film–Si substrate interface near the middle of the shear region and compressed to fracture. The shear response showed a mixed behavior of the stiff Si substrate and softer nanocrystalline film and failed in a brittle manner, indicating a response unique to the interface.

The BaNd2O4 compound and the BaO–Nd2O3 system are of interest for electroceramics. In this work, we synthesized BaNd2O4 by solid-state reaction, measured its heat capacity from 573 to 1273 K by differential scanning calorimetry, and determined its enthalpy of formation from component oxides at 298 K by high-temperature oxide melt solution calorimetry to be −43.75 ± 4.68 kJ/mol. Our newly determined values and available literature data were employed to assess the phase equilibria in the BaO–Nd2O3 system using CALPHAD methodology. A self-consistent thermodynamic database and the calculated phase diagram of the BaO–Nd2O3 system are provided. The optimized thermodynamic parameters are in good agreement with available experimental data. BaNd2O4 is calculated to melt incongruently at 2177 K. This thermodynamic analysis is essential for the optimization of synthesis conditions for materials and for the evaluation of their stability under appropriate technological operating conditions.

The effect of grain size on the flow strength of FCC polycrystals was analyzed by means of computational homogenization. The mechanical behavior of each grain was dictated by a dislocation-based crystal plasticity model in the context of finite strain plasticity and takes into the account the formation of pile-ups at grain boundaries. All the model parameters have a clear physical meaning and were identified for different FCC metals from dislocation dynamics simulations or experiments. It was found that the influence of the grain size on the flow strength of FCC polycrystals was mainly dictated by the similitude coefficient K that establishes the relationship between the dislocation mean free path and the dislocation density in the bulk. Finally, the modeling approach was validated by comparison with experimental results of the effect of grain size on the flow strength of Ni, Al, Cu, and Ag.

Nanoporous copper (NP-Cu), as a sacrificial support, was used for the synthesis of bimodal nanoporous palladium–copper (BNP-PdCu) for oxygen reduction reaction (ORR) electrodes in fuel cells. The catalytic performance of BNP-PdCu in ORR per electrochemical surface area was enhanced by the dissolution and removal of supporting NP-Cu, which indicates that the intrinsic catalytic properties of palladium are improved by the proposed synthesis strategy including galvanic replacement of copper with palladium, following copper dissolution. Cu remained on Pd surfaces even after dissolution of Cu. Additionally, significant local lattice contraction was observed at the ligament surface. First-principles calculations on the adsorbing oxygen species on Pd show that both lattice contraction and alloying with copper increase the binding energies of oxygen species to the Pd surface. The high ORR activity of the present BNP-PdCu is suggested to be mainly due to the Cu-ligand effect.

Ti/Al/Mg/Al/Ti laminates were fabricated by hot rolling at 450 °C with various rolling reductions, and the relationship between the mechanical properties and microstructures was investigated in detail. Both Al–Mg and Ti–Al interfaces are well bonded without pore, crack, and intermetallics. Mg layer of 50% rolling reduction has the most dynamic recrystallized (DRXed) grains around the deformation bands, and tensile twins appear in Mg layer when the rolling reduction increases to 60%. Large numbers of twins are formed to absorb the further strain as reduction increases. Ti layer shows equiaxed grains, which are not sensitive to thickness strain. Mg layers of laminates with various rolling reductions all exhibit typical (0002) basal texture. Fifty-percent rolling reduction has the largest ultimate tensile strength of 337.8 MPa, which is mainly owing to grain refinement caused by the extensive DRX. The differences of elongation among the three samples with different rolling reductions are small.

The novelty of this study was to investigate for the first time in literature the influence of Bombyx mori silkworm cocoon’s age on the properties of silk fibroin-based materials, during all stages of cocoon processing to obtain the fibroin film. The study started with the premise that the cocoon age could cause modifications on fibroin properties during processing and, consequently, a possible interference on the characteristics of the final product. Characterizations were performed using batches of cocoons produced in different years, named C0 (fresh cocoons) and C6 (six-year-old cocoons). The influence of cocoon’s aging was observed on dialyzed dispersion regarding the molecular weight, particle size, and conformation. C6 films showed a more crystalline structure and higher thermal resistance than C0 films. The findings reported in this work are relevant for the reproducibility of fibroin-based materials, and the cocoon age is a key factor that should be considered in the preparation of fibroin-based materials.

Fatigue of superelastic Nitinol in the mixed austenite–martensite state was examined in tension using center-tapered dog-bone specimens. A prestraining procedure, mimicking the load history of a medical device component, was applied prior to cycling: specimens were loaded to a fully martensitic state, unloaded partway into the lower plateau to a mixed-phase state, and then subjected to sinusoidal displacement cycles. Strain maps, obtained using digital image correlation, showed substantial variation in local mean and alternating strains across the gage section. In situ surface imaging using a high-speed camera confirmed crack initiation in a narrow transition zone between austenite and martensite that undergoes cyclic stress-induced martensitic transformation (SIMT). Fatigue life data showed an abrupt transition from high-cycle runouts to low-cycle fatigue failures at a stress amplitude level corresponding to the threshold for activating cyclic SIMT. The fatigue threshold can be estimated from the tensile loading–unloading curve.

3D ordered bimodal mesoporous carbon (OBMC) with a high specific surface area of 1368.7 m2/g, ordered large mesopores, and small mesopores on the walls is prepared by a surfactant-free rapid method using SiO2 nanosphere arrays as templates. The resulting OBMC is then composited with sulfur to prepare S/OBMC hybrids via a simple solution infiltration method followed by a heat treatment process. In S/OBMC composite, sulfur is uniformly infiltrated inside the 3D hierarchical pores of OBMC. On the basis of this systematic design, the obtained S/OBMC cathode shows a large discharge capacity value of 1590 mA h/g at first cycle and maintains 989 mA h/g after 100 cycles at 0.2 C. Furthermore, at 1 C charge–discharge rate, a reversible discharge capacity of 733 mA h/g after 100 cycles is reached. The extraordinary electrochemical property of S/OBMC derives from the unique bimodal mesoporous structure with large mesopores and small mesopores that can facilitate the mass transfer and strict dissolution of polysulfide species into the electrolyte.

A supercapacitor electrode featured with a voltage self-stabilizing capability is demonstrated by growing indium tin oxide (ITO) nanowires on Ni foam. The ITO nanowires with a single crystal structure are prepared by using magnetron sputtering technique, and they can act as an active electrode material. Charging–discharging experiments are performed under different current densities, demonstrating a good rate capability. Using properly designing top and bottom double connection circuits, part of the electrode can be used as a resistance switch. An electrode that can function as a supercapacitor and a resistance switch is fabricated. Detailed characteristics confirm that the device not only exhibits high performance as a supercapacitor but also has good characteristics of resistance switching (RS). The specific capacitance is 956 F/g at the scanning rate of 10 mV/s, and the switching ratio as a bipolar resistance switch is as high as 102. The stabilization time of discharging voltage is nearly doubled longer than that without any RS function, revealing the potential application of our devices, which can be used as a supercapacitor with voltage self-stabilizing.

Post-irradiation plastic strain spreading in ferritic grains is investigated by means of three-dimensional dislocation dynamics simulations, whereby dislocation-mediated plasticity mechanisms are analyzed in the presence of various disperse defect populations, for different grain size and orientation cases. Each simulated irradiation condition is then characterized by a specific “defect-induced apparent straining temperature shift” (ΔDIAT) magnitude, reflecting the statistical evolutions of dislocation mobility. It is found that the calculated ΔDIAT level closely matches the ductile-to-brittle transition temperature shift (ΔDBTT) associated with a given defect dispersion, characterized by the (average) defect size D and defect number density N. The noted ΔDIAT/ΔDBTT correlation can be explained based on plastic strain spreading arguments and applicable to many different ferritic alloy compositions, at least within the range of simulation conditions examined herein. This systematic study represents one essential step toward the development of a fully predictive, dose-dependent fracture model, adapted to polycrystalline ferritic materials.

Process parameters (laser power and scanning speed) for H13 steel specimens produced by selective laser melting (SLM) are optimized, and microstructural characteristics and mechanical properties are investigated. The optimum process parameters are a laser power of 170 W and a scanning speed of 400 mm/s according to the maximum relative density of 99.2%. The microstructure consists of cellular grains and columnar crystal, which are composed of lath martensite and retained austenite, and there are no carbides or other second-phase particles present. The size of cellular grains is 1 μm. Compared with the common processed (forged and heat-treated) H13, SLM H13 has similar microhardness (561 HV) and tensile strength (1909 MPa) values. However, the elongation (12.4%) is a factor of ∼3 times higher and the impact energy (14.4 J) of the SLM specimen is somewhat lower. The relationship between the microstructure and mechanical properties is discussed. Fine grains and no second-phase precipitation determine the strength and plasticity of SLM samples.

Atomistic simulations of 18 silicon 〈110〉 symmetric tilt grain boundaries are performed using Stillinger Weber, Tersoff, and the optimized Modified Embedded Atom Method potentials. We define a novel structural unit classification through dislocation core analysis to characterize the relaxed GB structures. GBs with the misorientation angle θ ranging from 13.44° to 70.53° are solely composed of Lomer dislocation cores. For GBs with θ less than but close to 70.53°, GB ‘step’ appears and the equilibrated states with lowest GB energies can be attained only when such GB ‘step’ is located in the middle of each single periodic GB structure. For the misorientation angles in the range of 93.37° ≤ θ ≤ 148.41°, GB structures become complicated since they contain multiple types of dislocation cores. This work not only facilitates the structural characterization of silicon 〈110〉 STGBs, but also may provide new insights into mirco-structure design in multicrystalline silicon.

Amorphous/crystalline (A/C) nanolayers provide an effective model system to study the mechanical behavior and size effects of metallic glasses and crystalline metals in confined geometries. In this work, we experimentally investigated the structure–property relationship in A/C nanolayers containing HCP crystalline layers. CuTi/Ti and CuZr/Zr nanolayers were prepared by magnetron sputtering with layer thicknesses in the range 10–100 nm. The hardness values of the CuTi/Ti and CuZr/Zr nanolayers were close to those of the monolithic CuTi and CuZr, respectively. The hardness remained virtually the same for different layer thicknesses as opposed to CuTi/Cu amorphous/FCC crystalline nanolayers, which exhibit increasing strength with decreasing layer thickness. Confined layer slip model predicts that the effective flow stress of HCP crystalline layers is higher than that of the amorphous layers. As a result, the strength and size effects are governed by the mechanical behavior of the softer amorphous layer.

Energy-savvy auto-combustion synthesis was used to form the porous BaLi2Ti6O14 titanate anode. It registered the lowest calcination temperature (800 °C) along with the shortest calcination duration (2 h). Rietveld analysis confirmed the purity of the orthorhombic (s.g. Cmca) product phase. The bond valence site energy analysis indicated a 1D ionic conduction along c axis with low activation energy and 2D pathways along (010) with high activation energy. AC conductivity analysis revealed a bulk conductivity of 2.41 × 10−4 S/cm (at 300 °C) with a moderate activation energy barrier (0.68 eV). From cyclic voltammetry, the Li+ diffusion coefficient was calculated to be 10−11–10−12 cm2/s. The as-synthesized BaLi2Ti6O14 reversibly intercalated ∼1.3 Li+ involving a 1.42 V Ti4+/Ti3+ redox activity delivering capacity ∼100 mA h/g with good cyclability over 100 cycles. Furthermore, BaLi2Ti6O14 was found to reversibly intercalate ∼0.89 Na+. With suitable diffusional and electrochemical performance, BaLi2Ti6O14 form a safe titanate anode for secondary batteries.

One of the most promising nanoscale materials which fascinated researchers for the last few decades owing to its unique optoelectronics and physicochemical properties are carbon-based nanomaterials (CBNs). Various forms of CBNs have been developed such as single and multi-walled carbon nanotubes, graphene, fullerenes, nanodiamonds, and fluorescent carbon quantum dots (C-Dots) whereas each form is having its own exceptional properties owing to its dimensionalities and architectures. The advent of these unique classes of nanoscale materials opens up a spectrum of new opportunities and possibilities in employing these in emerging areas of biomedical. However, successful biomedical applications greatly rely on the likelihood of the comprehensive understanding of physicochemical interactions and biological responses of CBNs. Herein, we have tried to explore the ‘blood-CBNs’ interface by including the findings of recent studies. The role of surface modifications and functionalization in order to mitigate the adverse outcomes has also been incorporated.

Cold-sprayed high-entropy alloy (HEA) coatings have been generated for the first time. Mechanically alloyed (MA) AlCoCrFeNi powder was chosen as feedstock, owing to the extensive literature on this alloy. Coatings were synthesized under various gas temperature and pressure conditions. Isothermal oxidation was conducted at 1100 °C for 25 h on the coating cold-sprayed at 400 °C and 10 bar on a Ni-base superalloy substrate. The as-sprayed coating retained the MA phases and formed a protective alumina layer upon oxidation. An interdiffusion zone at the interface and unanticipated Mo diffusion from the superalloy substrate into the coating were observed after oxidation. A comprehensive characterization at the coating–substrate interface suggests that diffusion in HEAs is not sluggish. The factors governing the coating’s oxidation are elucidated, and a plausible oxidation mechanism is discussed. These studies are aimed at developing oxidation-resistant HEA coatings for potential applications at high operating temperatures.

A new protocol has been devised for determining elastic properties of natural biocomposites in the form of bivalve shells under wet and dry conditions. Four-point bending on shell slices of Mytilus edulis, Ensis siliqua, and Pecten maximus give generally lower and more reliable values of Young’s modulus, E, than those in the literature from three-point bending, due to the more even distribution of strain. Finite element analysis of the prismatic microstructure of Pinna nobilis, obtained by X-ray tomography, shows that values of E ≈ 20 GPa can be understood in terms of the real microstructure containing a small proportion of organic matrix phase with E ≈ 1 GPa and a dominant proportion of calcite with E ≈ 90 GPa. Higher values of E obtained by nanoindentation give results which are biased toward the properties of the carbonate phase rather than of the biocomposite as a whole.

Enthalpies of formation and heat capacities are key parameters for thermodynamic assessments using the CALPHAD method and were determined in this work in the ZrO2–Y0.5Ta0.5O2 quasibinary system. ZrxY0.5−x/2Ta0.5−x/2O2 samples with compositions in the monoclinic and tetragonal ZrO2-based solid solutions (0.65 ≤ x ≤ 1) as well as the two monoclinic (M′ and M) polymorphs of the Y0.5Ta0.5O2-based solid solutions (0 ≤ x ≤ 0.2) were investigated. The enthalpies of the two monoclinic polymorphs M′ and M are essentially the same within experimental uncertainty and have significant energetic stability (enthalpies of formation near −45 kJ/mol) relative to their component oxides. The monoclinic and tetragonal zirconia-rich solid solutions have little energetic stability with respect to ZrO2, Ta2O5, and Y2O3 and presumably owe their existence to the configurational entropy. The heat capacities of M′ and M phase are similar and can be estimated from their constituent oxides using the Neumann–Kopp rule.

In the scope of this work, a micromechanical model based on the crystal plasticity finite element method is proposed and applied to describe the nucleation and growth of microstructurally short fatigue cracks in polycrystalline materials under cyclic loads. The microstructure is generated in the form of a representative volume element of a polycrystalline material with equiaxed grains having columnar structure along thickness and random crystallographic texture. With this model, we investigate the influence of loading amplitude on the crack growth behavior. It is shown that for smaller strain amplitudes, a single crack nucleates and propagates, while for larger strain amplitudes several independent crack nucleation sites form, from which microcracks start propagating. It is also observed that the global plastic strain amplitude decreases from the initial to the final cycle, during total strain-controlled loading. However, this can even increase the crack growth rate because the crack advance is governed by the local plastic slip which accumulates at the crack tip over the number of cycles. With this work, it is shown that micromechanical modeling can strongly improve our understanding of the mechanisms of short-crack nucleation and growth under fatigue loading.