Inspired by the recently reported translucency of monolayer graphene (GE) to wetting, atomistic simulations are employed to evaluate water flow enhancement induced by GE deposited on the inner surfaces of hydrophilic nanochannels. The flow in the coated channels exhibits a slip length of approximately 3.0 nm. Moreover, by contrasting the flow rates in channels with coated walls against flow rates in the corresponding uncoated channels, an “effective” flow enhancement from 3.2 to 3.7 is computed. The probability density function of the water dipole orientation indicates that the flow enhancement is related to a thinner structured water layer at the solid–liquid interface. This study provides quantitative evidence that GE employed as coating reduces substantially hydraulic losses in hydrophilic nanoconfinement.

Development of high energy density solid-state batteries with Li metal anodes has been limited by uncontrollable growth of Li dendrites in liquid and solid electrolytes (SEs). This, in part, may be caused by a dearth of information about mechanical properties of Li, especially at the nano- and microlength scales and microstructures relevant to Li batteries. We investigate Li electrodeposited in a commercial LiCoO2/LiPON/Cu solid-state thin-film cell, grown in situ in a scanning electron microscope equipped with nanomechanical capabilities. Experiments demonstrate that Li was preferentially deposited at the LiPON/Cu interface along the valleys that mimic the domain boundaries of underlying LiCoO2 (cathode). Cryogenic electron microscopy analysis of electrodeposited Li revealed a single-crystalline microstructure, and in situ nanocompression experiments on nano-pillars with 360–759 nm diameters revealed their average Young's modulus to be 6.76 ± 2.88 GPa with an average yield stress of 16.0 ± 6.82 MPa, ~24x higher than what has been reported for bulk polycrystalline Li. We discuss mechanical deformation mechanisms, stiffness, and strength of nano-sized electrodeposited Li in the framework of its microstructure and dislocation-governed nanoscale plasticity of crystals, and place it in the parameter space of existing knowledge on small-scale Li mechanics. The enhanced strength of Li at small scales may explain why it can penetrate and fracture through much stiffer and harder SEs than theoretically predicted.

HfO2–Sm3TaO7 ceramics are prepared through a solid-state reaction method. The X-ray diffraction and structural refinement show that the phase structures of HfO2–Sm3TaO7 ceramics are an ordered orthorhombic phase and the space groups are belonging to Ccmm. The degree of the structural disorder increases with increasing HfO2 content. The solid solution mechanism reveals that Hf4+ exists in the form of interstitial ions that cause crystal expansion when the doping content is less than 4 mol%. When the doping concentration of HfO2 ≥ 4 mol%, the Hf4+ ions can substitute an equal number of Sm3+ and Ta5+ ions. The phase transition of Sm3TaO7 ceramics is removed with increasing HfO2 content, and the 8 mol% HfO2–Sm3TaO7 ceramics have a high thermal expansion coefficient of 10.2 × 10−6 K−1 at 1200 °C. The 2 mol% HfO2–Sm3TaO7 ceramics have the lowest thermal conductivity (1.03 W/m K at 900 °C), which is lower than previous research of the 7–8 YSZ. The outstanding thermophysical properties of HfO2–Sm3TaO7 ceramics indicate that they are potential thermal-barrier coating materials.

In recent years, intracranial thrombectomy stent has been an important method to treat ischemic stroke caused by acute thrombosis. In this paper, a new intracranial thrombectomy stent with a fish scale-like structure was designed and its mechanical properties were studied by a finite element method. The porosity of all stents was more than 80%. The space occupation ratio (SOR) of the stents increased linearly with the increase of strut thickness, while the strut width had little effect on SOR. The maximum equivalent stress and strain, the directional deformation and overall radial load of the stent decreased with the increase of strut thickness, however, the strut width has little impact on these parameters. The stents with 0.2 mm strut width and the thickness of 0.15 and 0.20 mm had better radial load performance, and the stent with 0.2 mm strut width and 0.15 mm strut thickness had better contact performance with the vessel wall and displayed better flexibility. Therefore, the present study provides a theoretical basis for the design of new intracranial thrombectomy stent.

The ferroelectric material of BaTiO3 was introduced in the electron transport layer (ETL) of perovskite solar cells to improve the photogenerated electron transport. The sintered BaTiO3 thin films were polarized at different applied electric fields, and then TiO2 thin films were further deposited to be used as the ETL. The electric field was positively applied across the BaTiO3 thin film, and the photocurrent density of solar cell can be increased obviously. The results of electrochemical impedance and photoluminescence spectra indicate that the ordered polarization dipole moment inside the BaTiO3 thin film can accelerate the transport of photogenerated electrons from the ETL to the conducting glass substrate. The short-circuit photocurrent of perovskite solar cell is increased and thus the light-to-electric conversion efficiency is effectively improved to 13%. It is increased by 14% compared with that without the application of the positive electric field across the BaTiO3 thin film.

In the past decade, atomic and molecular layer deposition (ALD and MLD), these two sister techniques have been attracting more and more research attention to address technical challenges in various advanced battery systems. The charm of both ALD and MLD lies in their unique mechanism for growing a large variety of functional materials, featuring uniform and conformal films enabled at the atomic/molecular level at low temperature. Using ALD and MLD, to date, there have been many excitements achieved in research. These will ultimately be reflected on technical innovations that will help revolutionize our lifestyles. This invited article gives the first comprehensive review briefing on the journey of ALD and MLD in pursuing better batteries and highlighting many exciting progresses in various advanced battery systems. It is expected that this review will help boost many more efforts in using ALD and MLD for new battery technologies in the coming decade.

The analysis presented in Part I of this study on the binary collision of equal molten calcium–magnesium–alumino–silicate (CMAS) droplets is extended to investigate the flow and interfacial dynamics of unequal CMAS droplet collision. Numerical investigations of head-on, off-center, and grazing collisions of two CMAS droplets of size 1 and 2 mm are conducted at pressure and temperature of 20 atm and 1548 K, respectively, that are representative of a gas-turbine combustor. At these conditions, the physical properties of CMAS are density, ρCMAS = 2690 kg/m3, surface tension between CMAS/air, σCMAS = 0.40 N/m, and viscosity, μCMAS = 11.0 N-s/m2. The primary difference between the CMAS and a fictitious fluid with viscosity 1/10 of CMAS was higher deformation for the lower viscosity case, leading to stretching and subsequent breakup of the liquid structure. These mechanisms are supported by the time evolution of surface, kinetic, and viscous dissipation energies.

In this paper, we use finite element analysis (FEA) to study the linear viscoelastic response of polyurea, a type of hard–soft block copolymer. A Niblack's algorithm-based technique employed on atomic force microscopy images provides geometry inputs for the FEA model, while the viscoelastic master curves of the soft matrix are obtained via a combination of dynamic mechanical analysis data and molecular dynamic (MD) estimations. In this microstructural image-based FEA framework, we introduce an interphase area of altered properties between the hard and soft domains. Both spatial and property distributions of this interphase area affect the viscoelastic response of the copolymer system. To quantitatively investigate the impact of structural and property features of the interphase on the energy storage and dissipation of a system during linear perturbation, we develop a statistical descriptor representation of the interphase region related to physical parameters. Utilizing decision-tree and random forest concepts from machine learning, we apply a ranking algorithm to identify the most significant features for four different mechanical response descriptors. Results show that the total interphase volume fraction and shifting factor distributions in the interphase area dominate the magnitude of the tan δ peak, whereas the magnitudes of the shifting factors primarily affect the tan δ peak location in frequency space. This method allows us to readily identify the dominant features impacting individual properties and paves the way for material design of hard–soft block copolymer systems.

Calcium–magnesium–alumino-silicate (CMAS) reaction and infiltration behavior were studied in phase pure and mixed phase ytterbium silicate environmental-barrier coating (EBC) materials at 1300 °C. Phase pure Yb2Si2O7 (YbDS) was infiltrated by CMAS via grain boundaries/pores, resulting in loss of its structural integrity. Phase pure Yb2SiO5 (YbMS) reacted with CMAS to form either apatite (Ca2Yb8(SiO4)6O2) or YbDS, depending on the initial glass composition. Both reactions in YbMS slowed infiltration kinetics considerably compared to YbDS. Samples having a YbDS matrix with controlled amounts and dispersions of YbMS were also investigated as a model for air plasma spray coatings. Samples containing ≥20 vol% coarse YbMS showed dramatically improved infiltration behavior compared to phase pure YbDS. YbDS samples containing a fine dispersion of YbMS displayed a new mode of CMAS attack in which glass spread on the sample surfaces. The results of this study suggest that EBC phase compositions and microstructures may be tailored for optimized CMAS resistance.

Lithium-ion batteries have enabled the widespread use of portable electronic devices and are propelling the growing electric vehicle market, but new battery technologies with improved performance are necessary for emerging applications such as electric aircraft. The solid-state battery is one such technology that could exhibit enhanced safety and higher energy density compared to conventional lithium-ion batteries. The use of a pure lithium metal anode within solid-state batteries is key for higher energy density (Figure 1a), and it is thought that using solid-state electrolytes instead of conventional liquids could increase the chemical and structural stability of lithium metal.1 Despite continued progress in the development of new inorganic solid-state electrolyte materials; however, a persistent problem has emerged: lithium metal tends to grow as filaments during charging instead of as a flat film, and these filaments can penetrate and fracture the stiff solid-state electrolyte to short circuit the cell (Figure 1b).2–4 To prevent this chemo-mechanical degradation process and enable filament-free charging, it is critical to understand the mechanical properties of lithium metal, which have been elusive because of the highly reactive nature of lithium.

This study compares the investigated water vapor diffusion coefficient in the neat polyurethane (PU) membrane, the silica–PU nanocomposite membrane, and two surface-modified silica–PU nanocomposite membranes. The silane first surface modifier is with an amine functional group known as N-[3-(trimethoxysilyl)propyl]ethylenediamine, while the second one is with an aniline functional group known as N-[3-(trimethoxysilyl)propyl]aniline. The enhancement of water vapor diffusivity values through the polymer nanocomposite is desirable for the membrane air dehumidification application. The diffusivities were calculated via molecular dynamics simulations at the temperature of 298.15 K. The Einstein's relationship known as the mean square displacement method was used to obtain the diffusivity for the membranes. The results showed a significant effect on the diffusivity of water vapor for the surface-modified silica–PU nanocomposite membrane as compared with the neat PU and the unmodified silica–PU nanocomposite membranes. For the amine-modified silica, the diffusion coefficient increased by 80.3% compared with the unmodified silica–PU nanocomposite membrane. On the other hand, the aniline-modified silica outperformed the amine-modified one in terms of the diffusion coefficient by 22.4%.

Hydrogen is a promising alternative fuel for efficient energy production and storage, with water splitting considered one of the cleanest, environmentally friendly, and sustainable approaches to generate hydrogen. Electrochemically catalyzed water splitting plays an important role in energy conversion for the development of hydrogen-based energy sources. Porphyrin and macrocycle derivatives are versatile and can electrochemically catalyze water splitting efficiently. Because of the significance of molecule activation of electrochemical water splitting, this article covers recent progress in hydrogen evolution and oxygen evolution reactions catalyzed by porphyrin and macrocycle derivatives.

Functionally graded nanocomposite materials (FGNMs) have been known since the 1980s, although nanocomposite materials date back to the space race era of the 1960s. FGNMs are defined as materials in which the chemical and structural composition changes over their entire volume. Today, due to our current understanding, technology, and control over the nanostructure of materials, we can tune these properties at the nanoscale. Although FGNM applications have mostly focused on protective coatings, they have performed well in catalysis and hydrogen production applications. In this article, FGNMs are presented in a new light beyond their well-established applicability as protective coatings. This article focuses on the synergistic potential among mechanical/tribological properties and competitive catalytic performance, with special emphasis on energy and remediation applications. Also, ways by which the rational design and tailoring of catalytic properties can be achieved by means of FGNMs are described.