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This work describes a novel technique for the measurement of inorganic arsenic in water by generating arsine gas and detecting the conductivity of moving protons, H+ (aqueous or aq), produced by the reaction: Ag+ (aq) + AsH3 (gas, g) → AgAsH2 (solid, s) + H+ (aq). The detection is based on an electrochemical gradient of protons in a confined porous substrate (filter paper) and measures the change in the conductance due to the higher mobility of H+ compared to other ions. The conductance was measured with a pair of silver electrodes attached to opposite sides of the substrate with a bipolar pulse conductance technique. The method is established in theory and in practice. The theoretical equation for conductance change shows that a constant increase in conductance is directly proportional to the As(total) concentration. The method is validated with a standard reference material and applied to the measurement of the groundwater sample. [ABSTRACT FROM AUTHOR]

To develop special insulating paper is of great significance to promote the service life of transformers. Using molecular simulation to guide the development of special insulating paper can greatly reduce the trial-and-error rate and waste of resources in traditional experiments. The effect of different types of polysilsesquioxane (POSS) on cellulose insulating paper was investigated by using molecular simulation. This paper investigated the thermal stability and mechanical properties and electrical characteristics of caged POSS, semi-caged POSS, and ladder-like POSS doped cellulose insulating paper. The results show that POSS with all types can enhance the performance of cellulose insulating paper, and ladder-like POSS possess the best modification effect. The glass transition temperature was increased by 58 K, and the bulk modulus, shear modulus, and elastic modulus of cellulose insulating paper doped with ladder-like POSS can improve up to 27.07%, 45.67%, and 41.28%, respectively. Meanwhile, the dielectric properties of ladder-like POSS modified insulating paper are also significantly improved. The findings of this paper propose a method for the preparation of ladder-like POSS modified insulating paper, which provides theoretical guidance for the experimental preparation of special insulating paper. [ABSTRACT FROM AUTHOR]

The cellulose fibers that form washi are longer than those of regular paper made from wood pulp. Hence, the mechanical properties of washi can be higher than those of conventional paper. This study evaluated the magnetic, magnetostrictive, and tensile properties of negative magnetostrictive cobalt ferrite (CoFe2O4) particle dispersed handmade washi (washi−CoFe2O4). The CoFe2O4 additives magnetized the washi, which displayed negative magnetostriction with the fiber direction perpendicular to the magnetic field and in the parallel fiber direction. Concerning the mechanical properties, the washi−CoFe2O4 displayed an elongation of up to 77% after yielding. [ABSTRACT FROM AUTHOR]

The utilization of 3D cell culture for spheroid formation holds significant implications in cancer research, contributing to a fundamental understanding of the disease and aiding drug development. Conventional methods such as the hanging drop technique and other alternatives encounter limitations due to smaller drop volumes, leading to nutrient starvation and restricted culture duration. In this study, we present a straightforward approach to creating superhydrophobic paper cones capable of accommodating large volumes of culture media drops. These paper cones have sterility, autoclavability, and bacterial repellent properties. Leveraging these attributes, we successfully generate large spheroids of ovarian cancer cells and, as a proof of concept, conduct drug screening to assess the impact of carboplatin. Thus, our method enables the preparation of flexible superhydrophobic surfaces for laboratory applications in an expeditious manner, exemplified here through spheroid formation and drug screening demonstrations. [ABSTRACT FROM AUTHOR]

Partial Discharges (PDs) are a significant factor in reducing the insulation life of traction transformers. In recent years, the Acoustic Emission (AE) method has become the most advanced method for detecting PD signals in transformers. The AE method utilizes AE sensors placed on the transformer tank to detect ultrasonic signals emitted by PD and determine the Time Of Arrival (TOA) of the head wave. The windings and cores of a traction transformer consist mainly of metal, which greatly affects the propagation of PD ultrasonic waves. This paper establishes a 110 kV "pressure acoustic, transient" physical field model of the traction transformer with dimensions of 4.63 × 1.48 × 2.84 m3. The model is used to carry out the PD pressure acoustic physical field simulation study of the traction transformer, to clarify the physical characteristics of the ultrasound of the PD defects, and to establish observation points on the transformer tanks to receive ultrasonic time-domain waveforms for PD detection. The simulation results indicate that PD ultrasonic waves exhibit complex propagation characteristics, including reflection, refraction, and reverberation, as they pass through the windings and cores to the observation points. The TOA of the head wave in the ultrasound time-domain waveform is indicated by the first maximum value of the wave crest line. Finally, this paper proposes a multi-level localization method based on the AE method to determine which winding generates the PD in the large-scale traction transformer using only four dynamically moving observation points. [ABSTRACT FROM AUTHOR]

The highly porous and binder-free flexible paper electrodes can enhance the specific capacitance of symmetric supercapacitors (SCs) due to their large surface and effective ion diffusion pathways. We synthesized the exfoliated graphite (ExG) by the thermal exfoliation method of chemically treated graphite flakes and compressed it into a paper-like thin sheet (binder-free) of ∼0.15 mm thickness. The coin cell SCs with copper (Cu) and stainless steel (SS) as current collectors have been fabricated for the electrochemical measurement. The cyclic voltammetry and galvanostatic charge/discharge measurements are investigated at various scan rates and current densities. The SCs with Cu foil as a current collector perform better than SS-based SCs. The Cu current collector-based SCs showed a specific capacitance of 37.08 mF cm−2, whereas it was ∼29.98 mF cm−2 for SS-based SCs at a 0.01 V s−1 scan rate across a 0–0.6 V potential window. Approximately no degradation in charge storage capacity for more than 15 000 cycles at 0.1 V s−1 shows the ultra-stability of the flexible ExG-based binder-free electrodes. A digital watch is powered using the fabricated pouch cell supercapacitor with copper-based current collectors to show the potential of SCs. [ABSTRACT FROM AUTHOR]

Capillary wicking in a thicker gel blot microfluidics paper has been investigated through a combination of an analytical framework, experiments, and numerical simulations. The primary objectives of this work are to investigate the concentration-dependent wicking process inside thicker microfluidic paper and to estimate the concentration-dependent permeability using both theoretical models and experimental data. An additional goal is to estimate the parameters for saturation-dependent flow modeling in thicker microfluidic paper. To comprehend the wicking phenomenon on thicker gel blot paper, a series of experiments employing aqueous food dye solutions at varying concentrations has been conducted. In order to calculate the temporal wicking length analytically, the Brinkman-extended Darcy equation is implemented. By modifying the permeability expression for a simple rectangular unidirectional fiber cell and pure liquid, the expression of effective permeability for the analytical framework has also been introduced. The concentrations of the food dye solutions appear to have a substantial influence on the wicking phenomenon. Effective permeability and wicking length have been found to follow a decreasing pattern at lower concentrations while both increase at higher values. Intriguingly, employing a microfluidics paper with a relatively greater thickness facilitates the visualization of the fluid front. This phenomenon is identified by the formation of an acute angle at intermediate time instants, while the fluid front angle assumes an angle nearly ∼90° during smaller and higher time instants. In order to evaluate the saturation-dependent capillary pressure and permeability, the empirical correlation of concentration-dependent Brooks and Corey parameters is additionally determined experimentally. These parameters are subsequently employed in numerical simulations to illustrate the saturation-dependent flow field using Richards' equation. Furthermore, numerical simulations based on these estimated model parameters have been conducted, and it turns out that the saturation field has an excellent agreement with the experimental results. The results of the current study can be used to design low-cost paper-based diagnostic devices for usage in healthcare and environmental applications. [ABSTRACT FROM AUTHOR]

Hematocrit and hemoglobin levels are common blood tests used to assess the overall health status of patients as well as the oxygen-carrying capacity of the blood. The gold-standard technologies to determine the hematocrit and hemoglobin levels are precise and fast, but they are not pragmatic in extreme point-of-care settings due to the prohibitive cost, process complexity, and sophisticated facilities. Therefore, here, we report the development of a microfluidic paper-based analytical device to determine hematocrit and hemoglobin levels simultaneously. This device exploits the area of the stain formed by a spreading drop of 20 μl of whole blood on Whatman filter paper immobilized with sodium chloride and ethylenediaminetetraacetic acid for hematocrit level, whereas for hemoglobin concentration, it utilizes the gray color intensity of a 20 μl droplet of a mixture of blood and de-ionized water. The performance of the device is verified by comparing with gold-standard results of the automated hematology analyzer, showing a high degree of correlation (R2) of 0.9651 and 0.9701 for hematocrit and hemoglobin levels, respectively. The bias and standard deviation of the differences between the two measurements for hematocrit determination are 0.002 and 1.005, respectively, while the bias and standard deviation of differences between the two methods for hemoglobin determination are 0.065 and 0.398, respectively. This device is likely to provide a simple, fast, disposable, and inexpensive tool to determine the hematocrit and hemoglobin levels in resource-constraint settings. [ABSTRACT FROM AUTHOR]

Solvent-pumped evaporation-driven concentration of an initial distribution of solutes on a porous substrate is considered in one and two dimensions. Approximate analytic solutions to the isotropic advection–dispersion equations are first found for a Gaussian kernel and an infinite domain, following the smoothed particle approximation. Analytic solutions for more general initial distributions are then found as sums of Gaussians, and comparison is made with numerical solutions. In each case, initial distributions are advected toward the stagnation point and concentrated. Two-dimensional analysis is then extended to describe anisotropy in permeability and diffusion, and hydrodynamic dispersion. Radial-flow experiments are performed using filter papers and water-soluble dyes. Diffusion coefficients, temperature and humidity profiles, and the evolution of spot distributions are measured. The results confirm minor anisotropy in permeability and diffusion, limited hydrodynamic dispersion, and largely uniform evaporation. Péclet numbers over 2500 are demonstrated. Evaporation-driven concentration provides a mechanism for solute transport over long timescales. Potential applications lie in the design of paper spray microanalytical devices operating by solvent pumping rather than capillary flow. [ABSTRACT FROM AUTHOR]

The search for efficient capillary pumping has led to two main directions for investigation: first, assembly of capillary channels to provide high capillary pressures, and second, imbibition in absorbing fibers or paper pads. In the case of open microfluidics (i.e., channels where the top boundary of the fluid is in contact with air instead of a solid wall), the coupling between capillary channels and paper pads unites the two approaches and provides enhanced capillary pumping. In this work, we investigate the coupling of capillary trees—networks of channels mimicking the branches of a tree—with paper pads placed at the extremities of the channels, mimicking the small capillary networks of leaves. It is shown that high velocities and flow rates (7 mm/s or 13.1 μl/s) for more than 30 s using 50% (v/v) isopropyl alcohol, which has a 3-fold increase in viscosity in comparison to water; 6.5 mm/s or 12.1 μl/s for more than 55 s with pentanol, which has a 3.75-fold increase in viscosity in comparison to water; and >3.5 mm/s or 6.5 μl/s for more than 150 s with nonanol, which has a 11-fold increase in viscosity in comparison to water, can be reached in the root channel, enabling higher sustained flow rates than that of capillary trees alone. [ABSTRACT FROM AUTHOR]

The regular operation of transformers is significantly impacted by the insulation effectiveness of the transformer insulation oil–paper. In order to explore the mechanism of the influence of an electric field on the thermal decomposition performance of insulating oil–paper, this paper simulated the process of electrothermal coupling decomposition of insulating oil–paper from the micro-level based on molecular dynamics. It was determined that the insulating oil is made up of three 16-carbon hydrocarbon molecules, while the insulating paper is made up of 30 fibrous disaccharide molecules. Using the molecular dynamics simulation approach, the pyrolysis of the insulating oil and insulating paper under various electric field strengths was simulated, and the lysis of reactants and the distribution of products were statistically examined. This paper also studied how the electric field affected the microscopic process of the insulating oil–paper pyrolysis. The findings demonstrate that under the influence of electrothermal coupling, the big molecules of the insulating oil and insulating paper are pyrolyzed to produce a variety of tiny molecules. For the insulating oil, it is easily subject to electron displacement polarization under the influence of an external electric field since it contains non-polar molecules, especially impacted by an electric field of 100 V/m. For the insulating paper, its polar nature, on the other hand, makes itself a good candidate for guiding polarization when exposed to an external electric field. So, the greater the electric field strength is, the greater the impact on the thermal decomposition of the insulating paper is. [ABSTRACT FROM AUTHOR]

As an important high-voltage electrical equipment in the substation, the performance stability of high-voltage current transformers is directly related to the safe operation of the power grid. The insulating medium of the traditional oil-immersed current transformer is an oil-immersed paper structure. When the oil-immersed current transformer malfunctions, it is easy to cause fire and explosion, resulting in very serious consequences. If the transformer with the epoxy resin impregnated paper insulation medium is used, there is no oil and gas inside; thus, it has high reliability, which greatly reduces the risk of fire and explosion. Based on this, considering the application research on the high-voltage current transformers epoxy resin impregnated paper technology, this paper mainly analyzes some precautions for the application of epoxy resin impregnated paper technology to the high-voltage current transformers from three aspects: the research on the insulation performance of the epoxy resin impregnated paper transformers, the research on the mechanical properties, and the research on the relevant experimental methods of the epoxy resin impregnated paper technology application to the high-voltage current transformers. [ABSTRACT FROM AUTHOR]

Paper-based evaporation concentrators with linear and radial geometries are compared. A new method of finding approximate analytic solutions of the advection–dispersion equation is proposed, based on the behavior of concentrators with infinite sources. Analytic approximations are compared with numerical solutions, and the advantage of radial concentration is highlighted: linear concentration rates scale with the square root of the Péclet number Pe while radial rates scale with Pe itself, leading to faster radial concentration beyond a critical value. Experiments are performed with Brilliant Blue FCF dye, using optical transmission and the Beer–Lambert law for quantitation. Dye concentrations are chosen for operation in the linear absorbance regime. Radial concentration is demonstrated under ambient conditions on filter paper disks with 60 mm diameter evaporation areas fed from a perimeter source, in a reverse of the well-known "coffee stain" experiment. Airflow enhanced concentration in strips and wedges is compared directly, using laser-patterned chromatography paper. The advantage of radial concentration is confirmed (and enhanced by diversion of concentrate to the corners of strips) and concentration factors greater than ∼ 500 (the dynamic range of measurement) are obtained in ∼2 h using 30 mm long columns. [ABSTRACT FROM AUTHOR]

We investigate the spatial dynamics of two-disease epidemics reaching a three-species cyclic model. Regardless of their species, all individuals are susceptible to being infected with two different pathogens, which spread through person-to-person contact. We consider that the simultaneous presence of multiple infections leads to a synergistic amplification in the probability of host mortality due to complications arising from any of the co-occurring diseases. Employing stochastic simulations, we explore the ramifications of this synergistic coinfection on spatial configurations that emerge from stochastic initial conditions. Under conditions of pronounced synergistic coinfection, we identify the emergence of zones inhabited solely by hosts affected by a singular pathogen. At the boundaries of spatial domains dominated by a single disease, interfaces of coinfected hosts appear. The dynamics of these interfaces are shaped by curvature-driven processes and display a scaling behavior reflective of the topological attributes of the underlying two-dimensional space. As the lethality linked to coinfection diminishes, the evolution of the interface network's spatial dynamics is influenced by fluctuations stemming from waves of coinfection that infiltrate territories predominantly occupied by a single disease. Our analysis extends to quantifying the implications of synergistic coinfection at both the individual and population levels Our outcomes show that organisms' infection risk is maximized if the coinfection increases the death due to disease by 30 % and minimized as the network dynamics reach the scaling regime, with species populations being maximum. Our conclusions may help ecologists understand the dynamics of epidemics and their impact on the stability of ecosystems. [ABSTRACT FROM AUTHOR]

A lightweight wideband honeycomb absorber is theoretically and experimentally investigated. The proposed absorber is constructed of aramid paper, which contains carbon fibers to absorb partially the incident electromagnetic wave. Graded silver paste circuits are also printed on aramid paper to improve the impedance matching properties and, thus, achieve wideband absorption performance. An absorber sample was fabricated and measured to verify the design strategies. The designed absorber has a fractional absorption bandwidth of 133% from 3.6–18 GHz, with a thickness of 0.19λL at the lowest frequency. The total weight of the absorber is 18.2 g, with a density of 28.4 kg/ m 3 . [ABSTRACT FROM AUTHOR]

Transparent and nontransparent exoskeleton wearable heaters are used in automobile and aircraft deicing, oil-pipeline defrosting, smart windows, underwater protection clothing, winter sportswear, bioelectronics, personal healthcare, athletic rehabilitation, and thermotherapy applications. In this study, we introduce Korean traditional Han paper (or Hanji), which comprises eco-friendly cellulose fibers from the mulberry bark, as a substrate for nontransparent wearable heaters. Hanji consists of cellulose fibers and is highly flexible, making it suitable for low-cost roll-to-roll scalable production. Graphene flakes are readily and firmly embedded inside the fibrous structure of Hanji by the catastrophic impact inflicted by supersonic spraying. Additionally, Hanji can withstand temperatures of up to 100 °C before suffering thermal damage. The heater with the thicker graphene layer had the lowest electrical resistance and exhibited the highest heating temperature at a constant voltage level. Graphene flakes are firmly held inside the fibrous structure of Hanji, securing the material's mechanical durability. Additionally, tests at various bending radii were conducted to demonstrate the mechanical strength of the Hanji graphene heater. Graphene flakes deposited on an unyielding alumina substrate withstood temperatures of up to 280 °C, thereby facilitating the use of the substrate in high-temperature applications. Graphene-coated textiles were heated and stretched up to 50%, thus demonstrating the application of such materials in human-body thermotherapy. [ABSTRACT FROM AUTHOR]

We report a liquid metal microstrip antenna on a printing paper whose resonant frequency was tunable by folding the paper. The gallium-based alloy was used as liquid metal, which is instantly oxidized in ambient air. The oxidized liquid metal is easily wettable on printing paper surfaces, while it is non-wettable on laser-printed toner surfaces. An antenna with a 3 mm wide and 39 mm long copper-liquid metal overlapped-feedline linked to the liquid metal microstrip rectangle-shaped patch (40 × 31 mm2) was designed. The antenna pattern was printed on a printing paper using a laser printer. A liquid metal soaked roller was rolled on the antenna pattern printed paper, resulting in a liquid metal pattern where there was no toner. The resonant frequency of the liquid metal on the paper microstrip patch antenna was 2.88 GHz with −18.5 dB S11. The measured characteristics of the antenna were in good agreement with the simulation results. When the antenna was folded, the resonant frequency was changed to 2.68 GHz (x-axis folding) or 2.72 GHz (y-axis folding). Liquid metal on paper fabrication is simple but effective for creating custom-designed antennas that are easily re-designed and fabricated in the field. [ABSTRACT FROM AUTHOR]

The diffusion of moisture in the meta-aramid fiber (PMIA) oil-paper insulation system and the thermal decomposition of PMIA insulation paper in different moisture contents were studied via molecular dynamics simulations. The results showed that the PMIA insulation paper had a stronger ability to absorb water molecules than the insulating oil; therefore, water molecules in the insulating oil diffuse to the insulation paper, which further affects the thermal decomposition of the PMIA insulation paper. The activation energy of the water-bearing composite model was 129.96 kJ/mol, which was 5.5% lower than that of the pure PMIA (137.61 kJ/mol). It indicated that moisture could promote PMIA decomposition. The micromechanism of the enhanced thermal decomposition of PMIA with moisture contents could be described as follows: The O–H bond of the water can easily break to generate H atoms and hydroxyl radicals (•OH). The strong activity of H atoms allows it to easily combine with the ammonia base at the end of PMIA to generate NH3. Additionally, the free •OH radical can easily combine with the amido and carbonyl bonds at two ends of PMIA, undergo an oxidation reaction, and generate an oxhydryl. Therefore, it can reduce the chemical stability of the PMIA chain and further drive thermal decomposition. Statistical data on fragments generated by the thermal decomposition of the water-bearing PMIA composite system show that the main products include H2, C/H/O-containing molecules, hydrocarbon molecules, N-bearing molecules, and free radicals. [ABSTRACT FROM AUTHOR]

In this work, in-plane thermal conductivity measurement was carried out on graphene-based papers. Graphene-based papers were fabricated using various processing techniques such as chemical vapor deposition (CVD), hot pressing of graphene slurry, and evaporation induced self-assembly. The prepared materials were characterized using scanning electron microscopy, Raman spectroscopy, and X-ray diffraction. In-plane thermal conductivity measurement was performed via a steady state thin film thermal conductivity apparatus. The in-plane thermal conductivity measurements show that the CVD based sample has the highest thermal conductivity. COMSOL Multiphysics was used to simulate the in-plane thermal conductivity of graphene-based papers. [ABSTRACT FROM AUTHOR]

Frequency Domain Spectroscopy (FDS) is widely used to estimate oil–paper insulation. The high moisture and long aging change the FDS characteristics of the insulating oil–paper, so normalization processing is required. Still, the choice of single activation energy needs further research. This paper studies the FDS characteristic of oil–paper insulation samples with different moisture and aging degrees and improves the traditional temperature correction method. The enhanced Arrhenius model uses the segmented activation energy to make the normalized FDS curve coincide better with the target curve, and the error is reduced. In addition, to verify the method's effectiveness, this paper proposes an iterative correction process. It corrects the tan δ-f curve of the bushing with an aging time of 800 h based on segmented activation energy, and the overall normalization effect is improved. [ABSTRACT FROM AUTHOR]

Holes and defects can greatly reduce the mechanical properties of multilayer graphene sheets under different loading conditions due to the stress concentration near the hole edge in each in-plane sheet and the lack of interlayer carbon–carbon bonds between the layers. Here, we report a novel design of multilayer open-hole graphene papers (MLGPs) formed through interlayer covalent bonding at the hole edges of multilayer open-hole graphene sheets (MLGSs) under high temperature using molecular dynamics (MD) simulations. Our MD results show that the hybrid sp2–sp3 interlayer bonds of MLGPs can significantly improve their both tensile strength and interlayer shear strength. The tensile strength and interlayer shear strength of MLGPs increase by around 20% and 3 times by comparison with those of MLGSs with the same number of layers, respectively, which mainly depends on the uniformity of their interlayer bond distribution. This study can provide an effective way to improve the mechanical performances of multilayer graphene sheets with flaws and also offer corresponding guidance for the design of MLGS-based nanocomposites. [ABSTRACT FROM AUTHOR]

This study provides a complete rheological characterization of bidimensional (2D) nanomaterial dispersions, employed as 2D-inks precursors in printed electronics. Three different 2D nanomaterials [molybdenum disulfide (MoS2), graphene, and hexagonal boron nitride (hBN)] were dispersed in a Newtonian fluid (toluene) and a viscoelastic fluid (toluene + ethyl cellulose) with different polymer concentrations. The presence of nanosheets does not change the shear rheology of the carrier fluid. Regarding the extensional rheology, the results showed that the pinch-off phenomenon is present in all toluene suspensions; however, the presence of the ethyl cellulose introduces elasticity in the system, even leading to the formation of beads-on-a-string, and the relaxation times of the suspensions depend on the kind of nanosheets present in the fluid. As controlling the droplet size when dispensing 2D-inks is of paramount importance for printed electronics as well as for many other applications, here it is presented a correlation between the rheological properties of these 2D-inks precursors and their droplet size when generated from a capillary nozzle in the dripping regime. [ABSTRACT FROM AUTHOR]

In the present work, spontaneous imbibition of shear-dependent fluids is numerically investigated in a two-layered, rectangular/fan-shaped, paper-based diagnostic kit using the modified Richards equation. It is shown that the average velocity at the test line of the kit is strongly influenced by the absorbent pad's microstructure with its contact angle playing a predominant role. Assuming that the test fluid is shear-thinning, a generalized version of the Richards equation, valid for power-law fluids, was used to investigate the effect of shear-thinning on the quasi-steady regime. The shear-thinning behavior of the test fluid is predicted to shorten the duration of the constant-velocity regime on the nitrocellulose membrane used as the test cell. By manipulating the contact angle and/or choosing appropriate microstructure for the absorbent pad, it is still possible to establish a constant velocity regime at the test line for nearly five minutes even for such fluids. A comparison between our numerical results and published numerical results obtained using simplistic theories has revealed the key role played by the transition, partially saturated zone near the advancing front during the liquid imbibition. The general conclusion is that use should preferably be made of robust models such as Richards equation for the design of lateral-flow, paper-based assays. [ABSTRACT FROM AUTHOR]

Paper has attracted significant attention recently as a microfluidic component and platform, especially in passive pumping devices due to its porous and uniform absorbing nature. Many investigations on 1D and 2D fluid flows were carried out. However, no experimental work has been reported on the three-dimensional effect in porous geometry to improve pumping characteristics in microchannels. Therefore, in this study, the fluid flow in 3D paper-based passive pumps was investigated in microchannels using cylindrical pumps. The effect of pump diameter, porosity, and programmability was investigated to achieve desired flow variations. The results indicated that the flow rate of water increased with an increase in the diameter and porosity of paper pumps. Maximum flow rates achieved for 14 mm diameter pumps of 0.5 and 0.7 porosities were 5.29 mm3/s (317.4 μl/min) and 6.97 mm3/s (418.2 μl/min), respectively. The total volume of fluid imbibition ranged between 266 and 567 μl for 8 and 14 mm diameter pumps, respectively. Moreover, 3D passive pumps can transport larger volumes of liquid with an improved flow rate, programmability, and control, in addition to being inexpensive and simple to design and fabricate. Most importantly, a single 3D paper pump showed an increasing, decreasing, and constant flow rate all in a single microchannel. With these benefits, the passive pumps can further improve the pumping characteristics of microfluidic platforms enabling a cost effective and programmable point-of-care diagnostic device. [ABSTRACT FROM AUTHOR]

Antipredator behavior is a self-preservation strategy present in many biological systems, where individuals join the effort in a collective reaction to avoid being caught by an approaching predator. We study a nonhierarchical tritrophic system, whose predator–prey interactions are described by the rock–paper–scissors game rules. We perform a set of spatial stochastic simulations where organisms of one out of the species can resist predation in a collective strategy. The drop in predation capacity is local, which means that each predator faces a particular opposition depending on the prey group size surrounding it. Considering that the interference in a predator action depends on the prey's physical and cognitive ability, we explore the role of a conditioning factor that indicates the fraction of the species apt to perform the antipredator strategy. Because of the local unbalancing of the cyclic predator–prey interactions, departed spatial domains mainly occupied by a single species emerge. Unlike the rock–paper–scissors model with a weak species because of a nonlocal reason, our findings show that if the predation probability of one species is reduced because individuals face local antipredator response, the species does not predominate. Instead, the local unbalancing of the rock–paper–scissors model results in the prevalence of the weak species' prey. Finally, the outcomes show that local unevenness may jeopardize biodiversity, with the coexistence being more threatened for high mobility. [ABSTRACT FROM AUTHOR]

The parameter of tensile strength for transformer bushing insulating paper occupies an important position in the structural design and life evaluation of transformer bushing. In order to precisely achieve the effect of aging time and moisture content on the tensile strength of transformer bushing paper, transformer insulating paper samples with a thickness of 0.13 mm were prepared for tensile strength and dielectric strength testing under different moisture contents and aging states. The results show that the tensile strength (MPa) of insulating paper decreases linearly in the range of 0–648 h under accelerated thermal aging at 130 °C. However, there is a more serious exponential decline in the tensile strength (MPa) of insulation paper with its moisture content is boosted. The moisture content in insulation paper is the most important factor for insulation paper deterioration in oil-impregnated paper insulation equipment, which could accelerate the end of insulation service life. The value of capacitance increment ΔC of the insulation paper samples displayed closely linear growth with a moisture content from 0.5% to 5.9%. Strictly controlling the moisture content by monitoring the ΔC value of transformer insulation paper is of significance for prolonging its service life. [ABSTRACT FROM AUTHOR]

This article is a response to a comment made by Professor Liu regarding a previously published paper. The response addresses questions raised by Professor Liu and focuses on three key aspects of the validity of the paper. It explains the use of different contractions in the construction of the QED Hamiltonians and clarifies the commutation relations used in the calculations. The article also highlights that the formulation of the molecular orbital method described in the paper is independent of the ordering of the operators and can derive expressions for various perturbation theories. The response concludes by stating that alternative criteria for the QED Hamiltonians are not ruled out and could be explored in future research. [Extracted from the article]

Recognizing surrounding situations, such as enemy attacks, which can be realized by predator–prey relationships, is one of the common behaviors of the population in ecosystems. In this paper, we explore the relationship between such species' behavior and biodiversity in the spatial rock–paper–scissors game by employing the ecological concept "vigilance." In order to describe the vigilance process, we adopt a multiplex structure where two distinct layers describe virtual and physical interactions. By investigating the process of evolution in species, we also found that species with different vigilance go together. In addition, by utilizing the dynamic time warping method, we found that species with the same vigilance have consistent behavior, but species with different vigilance have diverse behavior. Our findings may lead to broader interpretations of mechanisms promoting biodiversity via vigilance in species ecosystems. [ABSTRACT FROM AUTHOR]

In this work, we describe the synthesis of novel electrically and magnetically dual-driven Janus particles for a handwriting-enabled twisting ball display via the microfluidic technique. One hemisphere of the Janus particles contains a charge control agent, which allows the display color to be controlled by applying a voltage and superparamagnetic nanoparticles, allows handwriting by applying a magnetic field to the display. We fabricated a twisting ball display utilizing these Janus particles and tested the electric color control and handwriting using a magnet. As a result, the display was capable of permitting handwriting with a small magnet in addition to conventional color control using an applied voltage (80 V). Handwriting performance was improved by increasing the concentration of superparamagnetic nanoparticles and was determined to be possible even when 80V was applied across the electrodes for 4 wt.% superparamagnetic nanoparticles in one hemisphere. This improvement was impossible when the concentration was reduced to 2 wt.% superparamagnetic nanoparticles. The technology presented in our work can be applied to low-cost, lightweight, highly visible, and energy-saving electronic message boards and large whiteboards because the large-size display can be fabricated easily due to its simple structure. [ABSTRACT FROM AUTHOR]

We present the results of a study of the dielectric and electrical properties of macroscopic reduced graphene oxide paper (RGOP) before and after 1 MeV electron irradiation with a low dose of 1⋅1016 cm−2. It was found that the Coulomb interaction affects the transport of charge carriers and causes their strong localization within graphene domains. The conductivity of the RGOP can be described by the charge carrier tunneling through a disordered graphene quantum dot array. It was shown that charge carrier localization length decreases from 5–8 nm to 1–2 nm after electron irradiation. Structural and electrical studies revealed that the irradiated sample demonstrates electrical conductivity higher than the initial one, despite the lower sp2-carbon fraction, the lower localization length, unchanged average size of graphene domains, and the higher defect states and functional groups content. The improvement in conductivity is also accompanied by an increase in the dielectric permittivity ɛ from 5 for the initial RGOP to 35 after electron irradiation. The data obtained indicate that disordered regions can affect the electrical properties of reduced graphene oxide. [ABSTRACT FROM AUTHOR]

Triboelectric nanogenerators (TENGs) capable of efficiently harvesting various mechanical energies from the environment are an effective way to solve the energy supply problem of wearable electronic devices. A series of flexible and lightweight TENGs with different surface morphologies of "dots"–"lines"–"honeycombs" hierarchical micro-structures are developed using low-cost and easily accessible background paper as a substrate. Polydimethylsiloxane films with dots–lines–honeycombs hierarchical micro-structures are prepared by the spin coating to obtain larger contact areas and, thus, enhance the triboelectric effect. Under the same test conditions, the honeycombs TENG (H-TENG) with complex surface morphology has the largest output performance with an open-circuit voltage of 55 V and a short-circuit current of 2.7 μA, which is 2.1 and 2.5 times that of the flat TENG, respectively. By combining with nylon gloves, the H-TENG can harvest the mechanical energy during hand movement and realize sensing of hand movement patterns through the difference of electrical signals. In addition, this device can power the liquid crystal display screen through a rectifier circuit and capacitor. This simple and efficient TENG device shows great potential in the wearable field. [ABSTRACT FROM AUTHOR]

The double layer present at the interface of an electrode and an analyte causes electrode polarization (EP) in impedance spectroscopy, which hinders acquiring the actual impedance of biological samples at a lower frequency region. In this work, a novel carbon paste (CP) electrode material prepared by mixing the pencil graphite powder with transparent glue has been reported to reduce the EP by depositing its two coplanar electrodes on a chromatography paper substrate. Furthermore, two other devices having silver paste and pencil electrodes on the chromatography paper have been fabricated, analyzed for the EP, and compared with the CP electrode. The EP is quantified by fitting the impedance data to an equivalent electrical circuit having double layer capacitance as a constant phase element, and the CP electrode shows the lowest EP among the electrodes. The cyclic voltammetry analysis reveals blocking electrode property of the CP, which diminishes dc current flow at the electrode/electrolyte interface. Furthermore, the chromatography paper is found to increase the effective surface area of the deposited electrode by enhancing its surface roughness, which helps reduce the EP. [ABSTRACT FROM AUTHOR]

The present research experiments the applicability of x-ray texture analysis in investigating the properties of paper coatings. The preferred orientations of kaolin, talc, ground calcium carbonate, and precipitated calcium carbonate particles used in four different paper coatings were determined qualitatively based on the measured crystal orientation data. The extent of the orientation, namely, the degree of the texture of each pigment, was characterized quantitatively using a single parameter. As a result, the effect of paper calendering is clearly seen as an increase on the degree of texture of the coating pigments. The effect of calendering on the preferred orientation of kaolin was also evident in an independent energy dispersive spectrometer analysis on micrometer scale and an electron spectroscopy for chemical analysis on nanometer scale. Thus, the present work proves x-ray texture analysis to be a potential research tool for characterizing the properties of paper coating layers. [ABSTRACT FROM AUTHOR]

Cold atmospheric-pressure plasma is used widely for treating material surfaces and can be considered for modifying insulation paper (IP) to improve its surface performance. However, the mechanism for interaction between reactive oxygen species (ROS), which are the dominant components of such plasma, and IP is important for setting experimental parameter values but is difficult to observe experimentally. In this paper, reactive force field molecular simulation technology is used to study the mechanism for interaction between ROS (O atoms, OH radicals, and H2O2 molecules) and cellulose, which is the main component of IP. The results show that the ROS can abstract H atoms, and the H2O2 molecules can also abstract hydroxyl groups from a cellulose chain, resulting in changes to the cellulose chain structure, such as reductions of the hydroxyl groups and pyran rings and formations of aldehyde and vinyl groups. The three types of ROS exhibit different reactivities when reacting with the cellulose chain, and the difficulty of breaking different bonds therein also differs, which influences how the chemical groups change the cellulose chain. This study provides basic insight into the mechanism for interaction between ROS and IP at the atomic level as well as offering some guidance for practical experiments. [ABSTRACT FROM AUTHOR]

This paper presents the design of a single-phase solid phononic crystal (PnC) structure featuring a regular hexagonal perforation pattern. The structure manifests three negative refraction bands, encompassing one for transverse waves and two for longitudinal waves, thereby enabling simultaneous control of shear and longitudinal waves. Due to the high symmetry of the triangular lattice, the equal frequency curves corresponding to the negative refraction band approach circular shapes, suggesting a nearly isotropic negative refraction effect. This negative refraction effect is achieved through specific mass resonance modes closely related to the porous structure designed in this paper. Initially, we analyze the band structure of the PnC, followed by designing the PnC plate structure to achieve negative refraction control for transverse waves at a frequency of 32.4 kHz, with a negative refraction index of −1. Additionally, negative refraction control for longitudinal waves is attained at frequencies of 44 and 64.54 kHz. Subsequently, we scrutinize the influence of various conditions on negative refraction, including different structural parameters, incident angles, and operating frequencies, while verifying the robustness of the designed phonon crystal structure. Leveraging the negative refraction characteristics of the structure, we construct an elastic wave lens to achieve perfect imaging of shear and longitudinal waves. Finally, employing finite element simulation and analyzing focusing imaging characteristics with different source positions, we validate that the results closely align with theoretical expectations. The solid PnC structure designed in this study holds significant potential for applications in the fields of elastic wave imaging. [ABSTRACT FROM AUTHOR]

The time-modulated active medium with linear independent frequency conversion method has been demonstrated to enable wave orientation and reconstruction. However, due to the symmetric scattering field, this technique requires intricate microcircuit designs. To overcome this limitation, this paper proposes a tunable piezoelectric metasurface based on acoustic black holes (ABHs) to redirect flexural wave reflections. The system can convert an incident flexural wave into a reflected wave of any direction and frequency. This is accomplished through the linear time modulation of the sensing signal, which breaks the constraints of Snell's law inherent in traditional designs and is insensitive to the incident amplitude. The coupling of the ABH damping system with a linear independent frequency conversion mechanism allows for the conversion of an incident flexural wave into a reflected wave in any direction and frequency while also eliminating the influence of second harmonic reflection on the wave field and simplifying the time modulation circuit. In addition, this paper demonstrates arbitrary angle reflection, focusing, beam splitting, and frequency conversion of the incident wave. By improving the flexibility of elastic wave manipulation, this paper introduces a new approach for active control of elastic waves and provides a design method that can be employed in a variety of applications ranging from vibration protection of engineering structures to vibration sensing and evaluation. [ABSTRACT FROM AUTHOR]

In this paper, a high precision detection method of copper ion (C u 2 + ) concentration based on weak measurement is proposed. The ternary complex formed by C u 2 + with L-tryptophan and phenanthroline reagents has circular dichroism (CD) signal at 605 nm in visible light. The CD signal can be obtained using the intensity contrast as a pointer in the imaginary weak-value amplification scheme. The measured sensitivity and resolution are 0.3417 mrad l/mg and 0.058 mg/l, respectively, which is improved by an order of magnitude compared to the traditional CD measurement method. It is also more accurate and less costly than commonly used C u 2 + detection methods. The C u 2 + concentration detection based on the weak measurement of CD signal detection proposed in this paper not only brings technological breakthroughs in the field of heavy metal ion detection, but also is of great significance in promoting the cross-development of chemistry, biomedicine, and life sciences. [ABSTRACT FROM AUTHOR]

Metasurfaces, due to their outstanding ability to control electromagnetic waves, have great application prospects in the field of wireless communication. This paper provides a comprehensive review of research work based on metasurface in three aspects: wireless power transfer, wireless information transmission, and novel wireless transceiver architectures. In the domain of wireless power transfer, several focusing metasurfaces and systems with unique performance are presented along with a new formula for calculating wireless power transfer. Concerning wireless information transmission section, the direct digital information transmission based on metasurface and the information transmission based on space-time-coding digital metasurface are introduced. Lastly, a simplified wireless transceiver with metasurfaces was introduced. The paper concludes with a discussion on the future directions of metasurfaces in the wireless communication domain. [ABSTRACT FROM AUTHOR]

The study and modeling of water exchange in complex media using different applications of diffusion and relaxation magnetic resonance (MR) have been of interest in recent years. Most models attempt to describe this process using a first order kinetics expression, which is appropriate to describe chemical exchange; however, it may not be suitable to describe diffusion-driven exchange since it has no direct relationship to diffusion dynamics of water molecules. In this paper, these limitations are addressed through a more general exchange expression that does consider such important properties. This exchange fraction expression features a multi-exponential recovery at short times and a mono-exponential decay at long times, both of which are not captured by the first order kinetics expression. Furthermore, simplified exchange expressions containing partial information of the analyzed system's diffusion and relaxation processes and geometry are proposed, which can potentially be employed in already established estimation protocols. Finally, exchange fractions estimated from simulated MR data and derived here were compared, showing qualitative similarities but quantitative differences, suggesting that the features of the derived exchange fraction in this paper can be partially recovered by employing an existing estimation framework. [ABSTRACT FROM AUTHOR]

Biased and accelerated molecular simulations (BAMS) are widely used tools to observe relevant molecular phenomena occurring on time scales inaccessible to standard molecular dynamics, but evaluation of the physical time scales involved in the processes is not directly possible from them. For this reason, the problem of recovering dynamics from such kinds of simulations is the object of very active research due to the relevant theoretical and practical implications of dynamics on the properties of both natural and synthetic molecular systems. In a recent paper [A. Rapallo et al., J. Comput. Chem. 42, 586–599 (2021)], it has been shown how the coupling of BAMS (which destroys the dynamics but allows to calculate average properties) with Extended Diffusion Theory (EDT) (which requires input appropriate equilibrium averages calculated over the BAMS trajectories) allows to effectively use the Smoluchowski equation to calculate the orientational time correlation function of the head–tail unit vector defined over a peptide in water solution. Orientational relaxation of this vector is the result of the coupling of internal molecular motions with overall molecular rotation, and it was very well described by correlation functions expressed in terms of weighted sums of suitable time-exponentially decaying functions, in agreement with a Brownian diffusive regime. However, situations occur where exponentially decaying functions are no longer appropriate to capture the actual dynamical behavior, which exhibits persistent long time correlations, compatible with the so called subdiffusive regimes. In this paper, a generalization of EDT will be given, exploiting a fractional Smoluchowski equation (FEDT) to capture the non-exponential character observed in the relaxation of intramolecular distances and molecular radius of gyration, whose dynamics depend on internal molecular motions only. The calculation methods, proper to EDT, are adapted to implement the generalization of the theory, and the resulting algorithm confirms FEDT as a tool of practical value in recovering dynamics from BAMS, to be used in general situations, involving both regular and anomalous diffusion regimes. [ABSTRACT FROM AUTHOR]

Multi-scale predictive models for the shock sensitivity of energetic materials connect energy localization ("hotspots") in the microstructure to macro-scale detonation phenomena. Calculations of hotspot ignition and growth rely on models for chemical reaction rates expressed in Arrhenius forms; these chemical kinetic models, therefore, are foundational to the construction of physics-based, simulation-derived meso-informed closure (reactive burn) models. However, even for commonly used energetic materials (e.g., HMX in this paper) there are a wide variety of reaction rate models available. These available reaction rate models produce reaction time scales that vary by several orders of magnitude. From a multi-scale modeling standpoint, it is important to determine which model best represents the reactive response of the material. In this paper, we examine three global Arrhenius-form rate models that span the range of reaction time scales, namely, the Tarver 3-equation, the Henson 1-equation, and the Menikoff 1-equation models. They are employed in a meso-informed ignition and growth model which allows for connecting meso-scale hotspot dynamics to macro-scale shock-to-detonation transition. The ability of the three reaction models to reproduce experimentally observed sensitivity is assessed by comparing the predicted criticality envelope (Walker–Wasley curve) with experimental data for pressed HMX Class V microstructures. The results provide a guideline for model developers on the plausible range of time-to-ignition that are produced by physically correct Arrhenius rate models for HMX. [ABSTRACT FROM AUTHOR]

Geomagnetic navigation has become a hot spot in current research because of its characteristics of passiveness and good concealment. However, the magnetic interference from various ferromagnetic substances, electronic equipment, etc., of the carrier will be superimposed on the geomagnetic field, causing magnetometer measurement errors, thus affecting navigation accuracy. In practice, due to the limited maneuverability of the carrier, sufficient geomagnetic observation data cannot be obtained, resulting in the observation equation used for carrier magnetic interference compensation to be seriously pathological. To achieve the compensation of carrier magnetic interference, this paper proposes the total least squares method based on the ridge regression using the L curve to solve ridge parameters. This method can effectively suppress the measurement noise that exists on both sides of the observation equation, and is suitable for alleviating the pathological effects of carrier magnetic interference compensation. Experimental results show that the compensated magnetometer measurement error is reduced to 3% of the carrier magnetic interference by using the method proposed in this paper, which obtains more stable and accurate parameter estimates. [ABSTRACT FROM AUTHOR]

We report fabrication of reduced graphene oxide (rGO) films using chemical reduction by hydrazine hydrate and rGO paper-like samples using low temperature treatment reduction. Structural analysis confirms the formation of the rGO structure for both samples. Current-voltage (I-V) measurements of the rGO film reveal semiconductor behavior with the maximum current value of ~3×10-4A. The current for the rGO paper sample is found to be, at least, one order of magnitude higher. Moreover, bipolar resistance switching, corresponding to memristive behavior of type II, is observed in the I-V data of the rGO paper. Although precise values of the rGO film conductivity and the Seebeck coefficient could not be measured, rGO paper shows an electrical conductivity of 6.7×102S/m and Seebeck coefficient of -6μV/°C. Thus, we demonstrate a simplified way for the fabrication of rGO paper that possesses better and easier measurable macroscopic electrical properties than that of rGO thin film. [ABSTRACT FROM AUTHOR]

Presents information on a study which determined the thermophysical properties of artificially aged paper samples by means of photothermal deflection technique. Theory; Experimental results and discussion; Conclusions.

A novel method was developed for studying the ink-paper interface and the structural variations of a deposited layer of ink. Combining high-resolution x-ray tomography with laser ablation, the depth profile of ink (toner), i.e., its varying thickness, could be determined in a paper substrate. X-ray tomography was used to produce the 3D structure of paper with about 1 μm spatial resolution. Laser ablation combined with optical imaging was used to produce the 3D structure of the printed layer of ink on top of that paper with about 70 nm depth resolution. Ablation depth was calibrated with an optical profilometer. It can be concluded that a toner layer on a light-weight-coated paper substrate was strongly perturbed by protruding fibers of the base paper. Such fibers together with the surface topography of the base paper seem to be the major factors that control the leveling of toner and its penetration into a thinly coated paper substrate. [ABSTRACT FROM AUTHOR]

Alternating current (ac) losses in conductor-on-rounded-core (CORC) cables of YBCO high-temperature superconducting (HTS) tapes are a significant challenge in HTS power applications. This study employs two finite element analysis (FEA) models to investigate the contributions from different ac loss components and provide approaches for reducing ac losses in cables. An FEA model based on the T-A formulation treats the cross section of thin superconducting layers as 1D lines and, therefore, only can predict the ac loss generated by the perpendicular magnetic field. In contrast, the model based on H-formulation can be performed on the actual 2D rectangular cross section HTS tapes to provide the total ac losses generated by magnetic fluxes penetrating from both the edges and surfaces of HTS tapes, although this model requires more computing time and memory. The 1D and 2D simulation models were validated by cross comparing the results from both models and by comparing sub-section and full cross section models. Subsequently, two models relate cable design and operational parameters to the surface and edge losses of a two-layer CORC cable by considering the (1) relative contributions of edge and surface losses to the overall ac losses; (2) effect of the current distribution between inner and outer HTS layers on ac losses; (3) impact of the tape alignment on ac losses in each HTS layer; (4) influence of the thickness of HTS layers on ac losses; (5) effect of size and number of inter-tape gaps on ac losses; and (6) contribution frequency on the ac losses. The research results given in this paper are therefore not only valuable to suggest strategies for reducing ac loss in multi-layer cables but also for developing more accurate and effective methods to calculate ac loss in CORC HTS cables. [ABSTRACT FROM AUTHOR]

Arid areas account for more than 20% of Earth's surface. Many of these arid areas suffer from harsh climates where energy consumption is high and production coexists with high hydrological stresses. In such areas, the production of water is directly linked to the production of electricity, bringing the Energy–Water nexus to a higher level [Heggy et al., Sustainable Energy-Water-Environment Nexus in Deserts (Springer, 2022)]. Under the current energy transition from a fossil-based economy to a renewable energy-based system, arid areas are seen as potential reservoirs for electricity production due to their high solar potential, thereby helping to achieve global decarbonation targets. This energy production transition will strongly affect the Energy–Water nexus as it will contribute to the decoupling of electricity from water production. The International Conference on Sustainable Energy–Water–Environment Nexus 2019 (ICSEWEN19) conference was the first to address the Sustainable Energy–Water Nexus in Deserts, bridging the gap between research and industry and highlighting the research capabilities relevant to Qatar, the region, and internationally. The Invited Papers from the International Conference on Sustainability, Energy, Water, and Environment Nexus in Desert Climates Special Collection in Journal of Renewable and Sustainable Energy presents articles covering the main elements of the conference with respect to solar photovoltaic implementation in desert environments as a key element to succeed in this global energy transition. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) Janus transition metal dichalcogenides MXY manifest novel physical properties owing to the breaking of out-of-plane mirror symmetry. Recently, the 2H phase of MoSH has been demonstrated to possess intrinsic superconductivity, whereas the 1T phase exhibits a charge density waves state. In this paper, we have systematically studied the stability and electron–phonon interaction characteristics of MoSLi. Our results have shown that both the 2H and 1T phases of MoSLi are stable, as indicated by the phonon spectrum and the ab initio molecular dynamics. However, the 1T phase exhibits an electron–phonon coupling constant that is twice as large as that of the 2H phase. In contrast to MoSH, the 1T phase of MoSLi exhibits intrinsic superconductivity. By employing the ab initio anisotropic Migdal-Eliashberg formalism, we have revealed the two-gap superconducting nature of 1T-MoSLi, with a transition temperature (Tc) of 14.8 K. The detailed analysis indicates that the superconductivity in 1T-MoSLi primarily originates from the interplay between the vibration of the phonon modes in the low-frequency region and the dz2 orbital. These findings provide a fresh perspective on superconductivity within Janus structures. [ABSTRACT FROM AUTHOR]

Vibrational coherences in ultrafast pump–probe (PP) and 2D electronic spectroscopy (2DES) provide insights into the excited state dynamics of molecules. Femtosecond coherence spectra and 2D beat maps yield information about displacements of excited state surfaces for key vibrational modes. Half-broadband 2DES uses a PP configuration with a white light continuum probe to extend the detection range and resolve vibrational coherences in the excited state absorption (ESA). However, the interpretation of these spectra is difficult as they are strongly dependent on the spectrum of the pump laser and the relative displacement of the excited states along the vibrational coordinates. We demonstrate the impact of these convoluting factors for a model based upon cresyl violet. A careful consideration of the position of the pump spectrum can be a powerful tool in resolving the ESA coherences to gain insights into excited state displacements. This paper also highlights the need for caution in considering the spectral window of the pulse when interpreting these spectra. [ABSTRACT FROM AUTHOR]

It is significant to investigate the calcium carbonate (CaCO3) precipitation mechanism during the carbon capture process; nevertheless, CaCO3 precipitation is not clearly understood yet. Understanding the carbonation mechanism at the atomic level can contribute to the mineralization capture and utilization of carbon dioxide, as well as the development of new cementitious materials with high-performance. There are many factors, such as temperature and CO2 concentration, that can influence the carbonation reaction. In order to achieve better carbonation efficiency, the reaction conditions of carbonation should be fully verified. Therefore, based on molecular dynamics simulations, this paper investigates the atomic-scale mechanism of carbonation. We investigate the effect of carbonation factors, including temperature and concentration, on the kinetics of carbonation (polymerization rate and activation energy), the early nucleation of calcium carbonate, etc. Then, we analyze the local stresses of atoms to reveal the driving force of early stage carbonate nucleation and the reasons for the evolution of polymerization rate and activation energy. Results show that the higher the calcium concentration or temperature, the higher the polymerization rate of calcium carbonate. In addition, the activation energies of the carbonation reaction increase with the decrease in calcium concentrations. [ABSTRACT FROM AUTHOR]