The system GeO2–TiO2 was studied experimentally at high pressure and temperature to measure the miscibility of the two components and to test its applicability as a temperature sensor in high-pressure experiments. Significant solubility between the two end-members was found, with two coexisting solid solutions at high pressure exhibiting mutual solubility that increases with temperature along a solvus. The two solid solution compositions at the solvus can be distinguished readily by X-ray diffraction. At higher temperatures, a complete solid solution exists between the two end-members. The complete solution occurs above a critical line in P–T space (a critical point at each pressure). The critical point is located near 1630 °C and mole fraction ${X_{{\rm{Ti}}{{\rm{O}}_{\rm{2}}}}} = 0.57$ at 6.6 GPa and changes by 60 ± 5° per GPa in the region from 4 to 7 GPa. A model for the shape of the solvus is developed using X-ray diffraction data points from a series of quench experiments and an in situ experiment, and the model is used to estimate the thermal gradients in a Kawai-type multianvil assembly.

Silicon is a promising material for lithium-ion batteries. However, it expands by 300% on lithiation, leading to fracture. Nanostructuring of silicon is expected to be a promising method to improve the mechanical strength of the silicon electrodes. In the present work, a unique battery test cell was designed and fabricated to study the in situ stress evolution in the silicon nanowire (SiNW) electrode during electrochemical lithiation using synchrotron X-ray microdiffraction. The stress in the SiNWs at pristine state and during lithiation was evaluated using energy scans. The average stress in the pristine nanowires was found to be ∼40 MPa tensile, which changed to ∼325 MPa compressive on lithiation. Further, the deviatoric stress state in the SiNWs during lithiation was evaluated using Laue diffraction and the lithiated nanowires were found to be in triaxial stress state with high shear stresses. The technique and the findings provide new and more in-depth understanding of the stress evolution in the SiNWs during electrochemical lithiation.

Conventional pNIPAAm microgel synthesis utilizes surfactants to suspend pre-gel droplets in the immiscible continuous phase due to the slow polymerization required for synthesizing pNIPAAm in aqueous solvent. To improve the fabrication process and to eliminate the effects of surfactant on microgel quality, a surfactant-free and water-free method was developed. Rapid polymerization of high-quality microgels was achieved in a single-channel microfluidic device to help maintain the integrity of gel particles without the addition of surfactants. The droplet generation mechanism and the effect of flow rate of the two in-going immiscible fluid on the geometry of the produced microgels were studied. The produced microgels have low polydispersity with a dispersity index of 6.4%. The pNIPAAm hydrogels fabricated in the DMSO solvent has smaller pore size and more uniform microstructure compared to that synthesized in water. The fabricated pNIPAAm microgels show a sharp volume phase transition at ∼32 °C and high deswelling/swelling rate.

In this work, the nitrogen-doped carbon materials (NCM) and nitrogen/sulfur codoped carbon materials (NSCM) were prepared using conventional benzoxazine (BOZ) and sulfur-containing benzoxazine as precursor and SBA-15 as template. The morphology, structure, and electrochemical performance of carbon materials were characterized by scanning electron microscopy, transmission electron microscopy, the X-ray diffraction, X-ray photoelectron spectroscopy, nitrogen adsorption–desorption, cyclic voltammetry, and galvanostatic charge–discharge. The results show that the as-prepared carbon materials have ordered mesoporous structure, large specific surface area, and excellent electrochemical properties. The NSCM treated at 800 °C exhibit an extremely high specific capacitance of 550 F/g at the current density of 0.5 A/g in 0.5 mol H2SO4 electrolyte, which shows great improvement compared with NCM. The nitrogen/sulfur codoping is suggested to be a very effective method to improve the performance of carbon materials, and the NSCM should be a promising candidate as electrode materials for supercapacitors.

Sintered nanoparticle structures are macroscopically brittle but quite robust if deposited on a flexible substrate. The effects of a polymer substrate on the stretchability of both brittle and ductile coatings and traces are well established. Systematic effects of substrate properties on the fatigue resistance of aerosol printed nano-Ag are slightly more complex. The present work is focused on the early stages of fatigue, where the resistance increases significantly but cracks are not yet visible. Overall, the fatigue behavior is seen to vary with the combination of substrate modulus and viscoelastic deformation properties. Comparing two common polyimides, the rate of damage was seen to increase faster with increasing amplitude on the less compliant one. Consistently with this increasing the minimum strain in the cycle led to a significantly stronger reduction in damage rates. However, the damage rate remained lower on the less compliant substrate at all amplitudes and strain ranges of practical concern.

Biochar conversion from corn stover was evaluated under various process conditions, and the absorption capacity of biochar was investigated for the removal of oxytetracycline in wastewater. Biochar was prepared at lower carbonization temperatures (200–500 °C) and was used in three different concentrations of chemical oxygen wastewater. The results showed that the biochar prepared at the temperature range of 200–500 °C had a faster sorption rate and shorter sorption equilibrium time compared to biochar produced at higher temperatures. The longest time to reach sorption equilibrium was 9 h for biochar obtained at 200 °C. However, the biochar prepared at 500 °C required only 0.5 h to reach the sorption equilibrium. The corn stover-biochar had the highest sorption capacity of 246.3 mg/g for oxytetracycline at 30 °C. The adsorption kinetics was consistent with pseudo–second-order kinetics. This study provides a theoretical basis for the conversion of corn stover into biochar as efficient sorbents.

The shape memory properties of Ni–Al alloy are investigated using molecular dynamics simulation. The phase transformation behaviors for various Ni composition ratios are studied under quasistatic cooling and heating process. Various loadings, i.e., uniaxial, shear, and biaxial, are applied on a 68% Ni–Al alloy till plasticity takes place. The atomic configurations are inspected and analyzed using a common neighbor parameter. The shape recovery capability of the plastically deformed alloy is examined after heating above the phase transformation temperature. It is found that there would be shape recovery if the twinning plane reorientation or moving was the major yielding mechanism. For those loadings in which stacking faults or dislocations nucleate, the deformed model would not restore to its original shape after heating and the corresponding maximum shear stress is noticeably higher. There is no direct dependence between the yield strain and the shape recovery capability. Our findings could provide a possible explanation for the functional fatigue of the polycrystalline shape memory alloy.

A homogeneous structured CoCrNi medium-entropy alloy was synthesized by gas atomization and spark plasma sintering (SPS). The mechanical properties, corrosion resistance, and magnetic properties were reported in this study. The as-atomized CoCrNi MEA powder, with a spherical morphology in shape and a mean particle diameter of 61 μm, consisted of a single face-centered cubic (FCC) phase with homogeneous distributions of Co, Cr, and Ni elements. Also, the cross-sectional microstructure of powder particles gradually transformed from fully cellular structure into equiaxed-type structure with increasing particle size. After being sintered by SPS, the CoCrNi MEA consisted of a single FCC phase with a mean grain size of 20.8 μm. Meanwhile, the CoCrNi MEA can capable of offering an ultimate tensile strength of 799 MPa, yield strength of 352 MPa, elongation of 53.6%, and hardness of 195.3 HV. In addition, this MEA showed superior corrosion resistance to that of 304 SS (stainless steel) in both 0.5 mol/L HCl and 1 mol/L NaOH solutions. The magnetization loop indicated that this MEA has good soft magnetic properties.

To understand the effect of pH value on the corrosion and corrosion fatigue behavior of AM60 magnesium alloy, electrochemical tests, viz., electrochemical impedance spectroscopy (EIS) and fatigue tests, were carried out in PBS (phosphate buffered saline) solutions of pH 5.2, 7.4, and 9.0. The microstructure was investigated by scanning electron microscopy (SEM). Results are as follows: (i) the corrosion mechanism of AM60 under different pH values was different according to EIS; (ii) the corrosion resistance and corrosion fatigue life reduced in the following order: pH 9.0 > pH 7.4 > pH 5.2; (iii) the crack initiation was associated with hydrogen embrittlement of AM60 on the basis of fractographic analysis.

A photoresponsive double-layer hydrogel has been developed, in which light-sensitive cinnamic moieties are grafted onto a polyacrylamide network to produce a photoresponsive layer and pure polyacrylamide formed the supporting layer. Ag nanoparticles were dispersed using in situ reduction on the photoresponsive layer to act as the catalyst. The as-fabricated hydrogel exhibits a shape memory effect and controllable catalytic behavior under an external light stimulus. When exposed to ultraviolet (UV) light at λ > 260 nm, the resulting cycloaddition of cinnamic moieties not only fix the hydrogel’s temporary shape, but also greatly slow down the catalytic reaction rate. After irradiated with UV light at λ < 260 nm, however, the newly formed crosslinking points are reversibly cleaved. This results in the shape recovery of the hydrogel to its permanent shape. At the same time, the catalytic reaction was greatly accelerated because of the facile diffusion of the reactants into the hydrogel.

We apply the first-principles calculations to investigate the structure, mechanical, and thermodynamic properties of WB12 and TiB12 under high pressure (0–100 GPa). The calculated results show that WB12 and TiB12 are thermodynamically stable at the 0 GPa or high pressure. WB12 is more thermodynamically stable than TiB12. In particular, the calculated Vickers hardness of WB12 and TiB12 at the ground state is 29.9 GPa and 43.2 GPa, respectively, indicating that TiB12 is a potential superhard material. With increasing pressure, the calculated elastic modulus of WB12 and TiB12 increases gradually. The calculated electronic structure shows that the high Vickers hardness and elastic properties of WB12 and TiB12 derive from the 3D network B–B covalent bonds. In addition, the calculated Debye temperature at the ground state is 927 K for WB12 and 1339 K for TiB12, respectively. With increasing pressure, the calculated Debye temperature of WB12 and TiB12 increases gradually. Our work shows that TiB12 not only exhibits high hardness but also shows better thermodynamic properties in comparison with WB12.

In this work, we investigate misfit dislocations in PbTe/PbSe heteroepitaxial systems using the concurrent atomistic–continuum (CAC) method. A potential model containing the long-range Coulombic interaction and short-range Buckingham potential is developed for the system. By considering the minimum potential energy of relaxed interface structures for various initial conditions and PbTe layer thicknesses, the equilibrium structure of misfit dislocations and the dislocation spacings in PbTe/PbSe(001) heteroepitaxial thin films are obtained as a function of the PbTe layer thicknesses grown on a PbSe substrate. The critical layer thickness above which misfit dislocations inevitably form, the structure of the misfit dislocations at the interfaces, and the dependence of average dislocation spacing on PbTe layer thickness are obtained and discussed. The simulation results provide an explanation for the narrowing of the spread of the distribution of misfit dislocation spacing as layer thickness increases in PbTe/PbSe(001) heteroepitaxy.

This study aims to investigate the sliding wear behavior of Al0.4FeCrNiCox (x = 0, 0.25, 0.5, 1.0 mol) high-entropy alloys (HEAs) under oil lubricating conditions at room temperature. Phase and microstructural characterizations of HEAs are performed by utilizing X-ray photoelectron spectroscopy (XRD) and scanning electron microscope (SEM). The compressive yield strength of Al0.4FeCrNiCox (x = 0, 0.25, 0.5, 1.0 mol) HEAs is observed to decrease from 1169.35 to 257.63 MPa. Plastic deformation up to 75% is achieved in the case of Al0.4FeCrNiCox=1 HEA. The microhardness of HEA samples is found to decrease from 377 to 199 HV after the addition of cobalt content from x = 0 to 1.0 mol. Thermal analysis is performed using a differential scanning calorimeter. It is confirmed that Al0.4FeCrNiCox (x = 0, 0.25, 0.5, 1.0 mol) HEAs do not undergo any phase change up to 1000 °C. The specific wear rate of Al0.4FeCrNiCox=1 HEA is observed to be highest in all wear conditions. The worn surfaces were analyzed by SEM with attached energy-dispersive spectroscopy, 3D profiling, and X-ray photoelectron spectroscopy (XPS).

A kind of novel Ni–P gradient coating/stannate conversion film was deposited on AZ91D magnesium alloy (AZ91D alloy) by an integrative method involved stannate conversion and electroless plating. The results indicated that using sodium hypophosphite concentrations varied as 5, 10, 22, 46, and 60 g/L in the bath, the electroless Ni–P gradient coating with typical cell morphologies was successfully prepared, and the structures transited from crystalline → microcrystalline → amorphous were obtained as increasing P content from 3.31 to 12.58 wt%. Furthermore, the corrosion morphologies, polarization curves, and the electrochemical impedance spectroscopy result indicated that the corrosion resistance of AZ91D alloy substrate was significantly improved and the corrosion resistance of Ni–P gradient coating was superior than that of stannate conversion film, which might be attributed to the gradient structure and rising P content with unique function.

In this study, for the first time, chemically modified carbon nanotubes (CNTs) were used as a conductive additive in the cathode composite for lithium–sulfur batteries. Oxidation of pure CNTs has been carried out using modified Hummers’ method, and to partially remove oxygen groups from the CNT surface and increase their electronic conductivity, oxidized CNTs have been hydrothermally treated. The cathode slurry was mixed in water with a water-soluble LA133 binder. Despite the decrease in electronic conductivity of CNTs after chemical treatment, the presence of structural defects and oxygen groups provides uniform distribution of modified CNTs in the sulfur-based composite, which results in more than twice higher electrode specific capacity compared with the electrodes comprising pure CNTs. Using chemically modified CNTs as a conductive additive is proposed as an effective way for the preparation of nontoxic and cost-effective water-based cathode slurries in lithium–sulfur batteries.