Disorder-dependent Li diffusion in Li6PS5Cl\mathrm{Li_6PS_5Cl} investigated by machine learning potential

Solid-state electrolytes with argyrodite structures, such as $\mathrm{Li_6PS_5Cl}$, have attracted considerable attention due to their superior safety compared to liquid electrolytes and higher ionic conductivity than other solid electrolytes. Although experimental efforts have been made to enhance conductivity by controlling the degree of disorder, the underlying diffusion mechanism is not yet fully understood. Moreover, existing theoretical analyses based on ab initio MD simulations have limitations in addressing various types of disorder at room temperature. In this study, we directly investigate Li-ion diffusion in $\mathrm{Li_6PS_5Cl}$ at 300 K using large-scale, long-term MD simulations empowered by machine learning potentials (MLPs). To ensure the convergence of conductivity values within an error range of 10%, we employ a 25 ns simulation using a $5\times5\times5$ supercell containing 6500 atoms. The computed Li-ion conductivity, activation energies, and equilibrium site occupancies align well with experimental observations. Notably, Li-ion conductivity peaks when Cl ions occupy 25% of the 4c sites, rather than at 50% where the disorder is maximized. This phenomenon is explained by the interplay between inter-cage and intra-cage jumps. By elucidating the key factors affecting Li-ion diffusion in $\mathrm{Li_6PS_5Cl}$, this work paves the way for optimizing ionic conductivity in the argyrodite family.Comment: 34 pages, 6 figure

Contact Pressure and Strain Energy Density of Hyperelastic U-shaped Monolithic Seals under Axial and Radial Compressions in an Insulating Joint: A Numerical Study

In insulation joints, elastomeric U-shaped monolithic seals (UMSs) are replacing O-ring systems because of their enhanced sealing capabilities for the oil and gas industries. UMSs are compressed axially during assembly and radially when pressurized in operation. The reliability of UMSs due to the displacement imposed during assembly and the internal pressure in operation is influenced by the axial compression ratio, thickness ratio (TR), and geometric complexity. In this study, the hyperelastic behavior of elastomeric UMSs under axial and radial compressions is investigated using axisymmetric finite-element analysis. Twelve examples of UMSs with three geometric restraints (open grooves on both sides (type 1), an open groove on one side only (type 2), and no groove (type 3)) and four thickness ratios (TR = 0.25, 0.50, 1.00, and 1.50) are evaluated. To analyze nonlinear elastomeric materials, neo-Hookean constitutive equations are applied and the UMSs are considered as being a nearly incompressible hyperelastic material with a Poisson’s ratio of 0.499. The failure and detachment risks of UMSs are analyzed in terms of the equivalent stress, gap distance, contact pressure, and strain energy density. It is advantageous that the smaller the TR, the smaller the stress distribution. However, the generation of broader detachment regions is observed. Type 1 symmetrically shows the lowest stress distribution and the smallest detachment region, whereas type 3 symmetrically shows the highest values. Type 3 (TR = 0.25) shows the broadest detachment region in the arc-length range from −15.7 to 15.7 mm, whereas the largest gap of 0.7 mm is observed in type 2 (TR = 0.5). For all types, the detachment region disappears completely at TR = 1.0 or higher, which implies that full sealing is occurring. The average contact pressure increases exponentially during axial compression (in assembly) and linearly during radial compression (in operation). The largest contact pressure of 31.5 MPa is observed in type 3 (TR = 1.5), while the lowest is observed in type 1 (TR = 0.25). As for the strain energy density, type 3 at TR = 0.25 shows the largest increase in the strain energy density with 1.75 MJ/m3, while type 1 shows the most stable values of all cases. In conclusion, the lowest risk of failure of a nonlinear hyperelastic UMS was investigated numerically with minor equivalent stress and detachment region with higher contact pressure, which can be taken into account to ensure the reliability of the UMS

Bio–Microfabrication of 2D and 3D Biomimetic Gut-on-a-Chip

Traditional goal of microfabrication was to limitedly construct nano- and micro-geometries on silicon or quartz wafers using various semiconductor manufacturing technologies, such as photolithography, soft lithography, etching, deposition, and so on. However, recent integration with biotechnologies has led to a wide expansion of microfabrication. In particular, many researchers studying pharmacology and pathology are very interested in producing in vitro models that mimic the actual intestine to study the effectiveness of new drug testing and interactions between organs. Various bio–microfabrication techniques have been developed while solving inherent problems when developing in vitro micromodels that mimic the real large intestine. This intensive review introduces various bio–microfabrication techniques that have been used, until recently, to realize two-dimensional and three-dimensional biomimetic experimental models. Regarding the topic of gut chips, two major review subtopics and two-dimensional and three-dimensional gut chips were employed, focusing on the membrane-based manufacturing process for two-dimensional gut chips and the scaffold-based manufacturing process for three-dimensional gut chips, respectively

Controlled Thin Polydimethylsiloxane Membrane with Small and Large Micropores for Enhanced Attachment and Detachment of the Cell Sheet

Polydimethylsiloxane (PDMS) membranes can allow the precise control of well-defined micropore generation. A PDMS solution was mixed with a Rushton impeller to generate a large number of microbubbles. The mixed solution was spin-coated on silicon wafer to control the membrane thickness. The microbubbles caused the generation of a large number of small and large micropores in the PDMS membranes with decreased membrane thickness. The morphology of the thinner porous PDMS membrane induced higher values of roughness, Young’s modulus, contact angle, and air permeability. At day 7, the viability of cells on the porous PDMS membranes fabricated at the spin-coating speed of 5000 rpm was the highest (more than 98%) due to their internal networking structure and surface properties. These characteristics closely correlated with the increased formation of actin stress fibers and migration of keratinocyte cells, resulting in enhanced physical connection of actin stress fibers of neighboring cells throughout the discontinuous adherent junctions. The intact detachment of a cell sheet attached to a porous PDMS membrane was demonstrated. Therefore, PDMS has a great potential for enhancing the formation of cell sheets in regenerative medicine

Water electrode plasma discharge to enhance the bacterial inactivation in water

The present study used water-electrode plasma discharge to increase the effect of bacterial inactivation in water for bioengineering and biotechnological applications. The water-electrode plasma discharge system was fabricated using a newly designed plasma generator and a high-voltage power supply. Water contaminated with Escherichia coli was treated with water-electrode plasma discharge for 0, 1, 2, 3, 4, 5, 10, 20 and 30 min. As a result, the colony-forming units (cfu) of E. coli were reduced with plasma treatment time, reaching nearly complete inactivation after 30 min. In addition, rapid generation of H2O2 in the contaminated water was observed, which could mainly account for the effective bacterial inactivation. In conclusion, direct generation of reactive chemical species under water was successfully achieved by using a water-electrode plasma discharge system, which could be practically used to enhance bacterial inactivation in a variety of bioengineering applications

Single Microdroplet Breakup-Assisted Viscosity Measurement

Recently, with the development of biomedical fields, the viscosity of prepolymer fluids, such as hydrogels, has played an important role in determining the mechanical properties of the extracellular matrix (ECM) or being closely related to cell viability in ECM. The technology for measuring viscosity is also developing. Here, we describe a method that can measure the viscosity of a fluid with trace amounts of prepolymers based on a simple flow-focused microdroplet generator. We also propose an equation that could predict the viscosity of a fluid. The viscosity of the prepolymer was predicted by measuring and calculating various lengths of the disperse phase at the cross junction of two continuous-phase channels and one disperse-phase channel. Bioprepolymer alginates and gelatin methacryloyl (GelMA) were used to measure the viscosity at different concentrations in a microdroplet generator. The break-up length of the dispersed phase at the cross junction of the channel gradually increased with increasing flow rate and viscosity. Additional viscosity analysis was performed to validate the standard viscosity calculation formula depending on the measured length. The viscosity formula derived based on the length of the alginate prepolymer was applied to GelMA. At a continuous phase flow rate of 400 uL/h, the empirical formula of alginate showed an error within about 2%, which was shown to predict the viscosity very well in the viscometer. Results of this study are expected to be very useful for hydrogel tuning in biomedical and tissue regeneration fields by providing a technology that can measure the dynamic viscosity of various prepolymers in a microchannel with small amounts of sample

Synthesis of Molybdenum Sulfide/Tellurium Hetero-Composite by a Simple One-Pot Hydrothermal Technique for High-Performance Supercapacitor Electrode Material

It is necessary to investigate effective energy storage devices that can fulfill the requirements of short-term and long-term durable energy outputs. Here, we report a simple one-pot hydrothermal technique through which to fabricate the MoS2/Te nanocomposite to be used as an effective electrode material for high-performance supercapacitors. Comprehensive characterization of the as-fabricated nanomaterial was performed using FESEM, HRTEM, XRD, FTIR, XPS, etc., as well as electrochemical characterizations. The electrochemical characterization of the as-fabricated nanocomposite electrode material showed a high specific capacitance of 402.53 F g−1 from a galvanostatic charge-discharge (GCD) profile conducted at 1 A g−1 current density. The electrode material also showed significant rate performance with high cyclic stability reaching up to 92.30% under 4000 cycles of galvanostatic charge-discharge profile at a current density of 10 A g−1. The highly encouraging results obtained using this simple synthetic approach demonstrate that the hetero-structured nanocomposite of MoS2/Te electrode material could serve as a promising composite to use in effective supercapacitors or energy storage devices