Amount Of Charge Research Articles

Conjugated phthalocyanine-based framework as artificial SEI for over 400 Wh kg−1 lithium metal battery

Abstract High-voltage lithium metal batteries (HVLMB) are appealing candidates for next-generation high-energy rechargeable batteries, but practical applications are still limited by the severe capacity degradation, attributed to the poor interfacial stability and compatibility between the electrode and electrolyte. In this work, a two-dimensional conjugated phthalocyanine framework containing single cobalt atoms (CoSAs-CPF) is developed as a novel artificial solid electrolyte interphase (SEI), where a large amount of charge is transferred to the CPF skeleton due to the Lewis acid activity of the Co metal sites and the strong electron-absorbing property of the cyano group (−CN), greatly enhancing the adsorption of Li+ and regulating Li+ distribution toward dendrite-free Li-metal batteries, superior to most of the reported SEI membrane. As a result, the Li||Li symmetrical cell with CoSAs-CPF modified Li-anodes (CoSAs-CPF@Li) exhibits a low polarization with an area capacity of 1.0 mAh cm−2 over 3500 h. The LiFePO4||CoSAs-CPF@Li (LFP: 20 mg cm−2) delivers an ultra-long cycling life up to 1000 cycles with a high-capacity retention of 98.6%. Remarkably, the high-voltage LiNi0.8Co0.1Mn0.1O2||Li@CoSAs-CPF (NCM811: 10 mg cm−2) demonstrates a long cycling life over 800 cycles with a high-capacity retention of 80%. Meanwhile, in-situ ultrasonic transmission technology confirms the admirable ability of artificial CoSAs-CPF SEI to stabilize the Li-anode interface in pouch cells during cycling. Remarkably, the NCM811||Li@CoSAs-CPF pouch cell exhibits an energy density of 421 Wh kg−1 and keeps 130 cycles with a low electrolyte/capacity ratio of 2.5 g Ah−1. The strategy of constructing CoSAs-CPF-reinforced Li-anode provides a promising direction for high-energy-density HVLMB with long-cycling stability.

Study on damage performance of high strength casing by shaped charge jet assisted window sidetracking method

This paper explores the penetration of high-strength casings by metal jets to reduce the milling workload of windowing drill bits, thereby improving the efficiency and success rate of window sidetracking in high-strength thick-walled casings. The numerical simulation model of shaped charge penetration casing was established based on Autodyn software. The penetration effects of shape charge structure, charge liner material and charge quantity on casing were studied from the angles of casing damage degree, penetration volume, metal jet kinetic energy and mechanical specific energy (MSE). The results show that trumpet shaped liner has better reaming ability, has the largest effective damage area, the largest penetration volume, and the lower MSE, and the hole shape is more suitable for window sidetracking. The larger the charge diameter, the better the penetration effect on the casing. The charge combination of 70-1(charge diameter D=70mm and charge length=1D) causes more effective damage in the hole edge of the casing, and has a larger penetration volume and the smallest MSE. When the material density of the top section is greater than that of the curve section, the jet head velocity is larger; otherwise, the jet head velocity is smaller. The penetration volume of the titanium-tungsten charge liner increased by 110.6% compared with titanium material charge liner, but the MSE increased by only 24.26%, indicating that combination material charge liners can significantly enhance the penetration effect of the metal jet on the casing. The titanium-tungsten charge liner has the largest penetration volume and good damage effect on the casing, with a low MSE, making it suitable for window sidetracking. In summary, under standoff distance of 1D and the 70-1 charge combination, the trumpet-shaped liner with titanium-tungsten material combination exhibits the best penetration performance on the casing. This study provides valuable insights into the application of metal jet-assisted window sidetracking techniques.

Low-Power Radiation-Hardened Static Random Access Memory with Enhanced Read Stability for Space Applications

In space environments, radiation particles affect the stored values of SRAM cells, and these effects, such as single-event upsets (SEUs) and single-event multiple-node upsets (SEMNUs), pose a threat to the reliability of systems used in the space industry. To mitigate the impacts of SEUs and SEMNUs, this paper proposes the Read Stability Improved and Low Power (RSLP16T) SRAM cell. It was confirmed that in SEU-induced simulations, all nodes of the RSLP16T could be restored with a charge amount of less than 100 fC. Additionally, it was verified that a similar level of restoration was possible for SEMNUs occurring in pair of storage nodes. The proposed cell achieves a high level of read stability due to a high pull-down cell ratio (current ratio, CR) at the storage nodes and the fact that only a pair of nodes is in contact with the bit lines during read operations. Because all node paths use a stacking structure for internal transistor configuration and a relatively higher number of cells are composed of PMOS, it consumes the least hold power. While these improvements come at the cost of slightly increased delay time and area, performance evaluation revealed that the equivalent quality metric (EQM) was the highest, indicating that the benefits outweigh the drawbacks. The proposed integrated circuit is implemented in the 90 nm CMOS process and operated on 1 V supply voltage.

Pitfall on the interpretation of double layer capacitance increase after accelerated stress test of hydrogen evolution reaction on NiMo catalysts

Critical investigation of methods used to screen the catalytic activity of different electrocatalysts is crucial for the development of water electrolysis technology. One of such protocols to justify the catalytic activity trend among different catalysts involves determining their electrochemically active surface area (ECSA) which is usually estimated from non-Faradic double layered capacitance (Cdl) of the catalyst material. Furthermore, catalytic current normalized with ECSA is frequently used to gain insight into the intrinsic activity of a catalyst. Since not all the metallic catalysts are highly stable under the electrolysis conditions, it is highly important, though rarely explored, to investigate whether or not the adsorption/desorption of leached/dissolved multivalent metal ions influences the measurement of non-Faradic Cdl. Here, we explore the possible influence of Mo leached from NiMo alloy on the measured Cdl of NiMo. Using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS), Cdl of NiMo alloy was measured before and after carrying out long term (chronopotentiometric and CV cycling) hydrogen evolution reaction (HER) in alkaline conditions. After extended HER testing, we observe a notable rise (∼22 % averaging all our experiments) in the Cdl of NiMo alloy when measured with traditional methods. Interestingly, only 8 % of this increase can be attributed to an expansion in surface area. We hypothesize that the majority of the increase in Cdl stems from the higher amount of charges stored through leached multivalent ions, which accumulate within surface cavities.

Research on prediction of PPV in open pit mine used on intelligent hybrid model of extreme gradient boosting

Peak particle velocity (PPV) serves as a critical metric in assessing the appropriateness of blasting design parameters. However, existing methods for accurately measuring PPV remain insufficient. To develop a robust PPV prediction model, this study integrates the Extreme Gradient Boosting (XGBoost) algorithm with four distinct optimization techniques: Runge Kutta Optimizer (RUN), Equilibrium Optimizer (EO), Gradient-Based Optimizer (GBO), and Reptile Search Algorithm (RSA). Real-time blasting data from open-pit mines are employed to predict PPV, utilizing parameters including Charge Quantity per Hole (CQH/kg), Total Charge Quantity (TCQ/kg), Distance from Bursting Point to Measuring Point (DBM/m), Drilling Depth (DP/m), Borehole Diameter (BD/mm), Spacing (S/m), Row Spacing (RS/m), Minimum Burden (MB/m), and Depth Displacement (DD/m). The predictive outcomes of the XGBoost model, optimized by various algorithms, are benchmarked against the Sadovsky empirical formula, the conventional XGBoost model, and several traditional machine learning models (Ridge, LASSO, SVM, SVR) using performance metrics including R2, RMSE, VAF, MAE, and MBE. Additionally, the Shapley Additive Explanations (SHAP) method is employed to assess the impact of various factors on PPV prediction outcomes. The findings reveal that the GBO-optimized XGBoost model surpasses the RUN, EO, and RSA-optimized XGBoost models, along with other machine learning models and traditional empirical formulas, in predicting PPV. This study further corroborates that the XGBoost model, when enhanced with various optimization algorithms, effectively manages the non-linear characteristics of multiple factors, resulting in a reliable, straightforward, and efficient PPV prediction model. Moreover, the SHAP sensitivity analysis identifies DBM, TCQ, and CQH as the primary factors influencing PPV, enabling engineers to mitigate the impact on nearby structures, equipment, and personnel through the careful adjustment of explosive quantities.

Strain induced nitrobenzene sensing performance of MoSi2N4 monolayer: Investigation from density functional theory

The observing of environmental contaminant of Nitrobenzene (NB), from effluent discharges is a critical component of the surveillance to be conducted by public authorities and private sectors. By the way, the present work examines the NB adsorption behaviour of recently synthesized two-dimensional (2D) material MoSi2N4 through density functional theory (DFT). We observed that when increasing the percentage of strain (2, 4, 6 and 10 %) the adsorption energy also increasing reasonably compared to the unstrained case. The bandgap reduction was observed when gas molecule interacts with the strained MoSi2N4 and also the Bader charge calculation claims that the quantity of charge transferred between orbitals of N 2p of MoSi2N4 and the O 2p of NB. 4 % strain shows reasonable binding energy of 1.0201 eV with recovery time of 3.15 min. Moreover, there is strong bonding between N of MoSi2N4 and O of NB as evidenced from wavefunction analysis. 10 % strained system is stable at 600 K, which is examined through ab initio molecular dynamics study. The present theoretical investigation validates the 4 % strained MoSi2N4 can be fabricated as a sensor to detect the NB gas molecule.

Convenient electrochemiluminescence biosensor for acute myeloid leukemia biomarker based on hyperbranched rolling circle amplification and vertically-ordered mesoporous silica film modified electrode

Vertically-ordered mesoporous silica film (VMSF), with large amount of small pores and abundant negative charges, had been modified on the surface of indium tin oxide electrodes and applied to develop an electrochemiluminescence (ECL) biosensor for acute myeloid leukemia biomarker hsa-miR-10a-5p (chosen as a model target). The small ECL indicator (Ru(phen)32+) can be enriched in the pores through electrostatic adsorption and then diffuse to the electrode surface to produce strong ECL signals. The presence of target can trigger hyperbranched rolling circle amplification (HRCA) and produce a large amount of double-stranded DNA (dsDNA). Ru(phen)32+ can embed into the groove structure of dsDNA and forms negatively charged large-sized complexes, which cannot pass through the narrow pores of VMSF to reach the electrode. This led to a significant decrease of ECL signal of the system. The change of the ECL intensity of the system had a linear relationship with logarithm of target concentration within the range of 1 fM–1 nM. The limit of detection was 1.23 fM. The developed biosensor had been applied to determine the target substance in serum samples with satisfied results without complicated sample pretreatment. The introduction of VMSF endows the biosensor with superior anti-interference capability and simpler operational steps, promising applications in the diagnosis of acute myeloid leukemia and potential extension to the analysis of other target molecules through primer design.

Large eddy simulations of electrification of liquid dielectrics in channel flow

In this paper we present a computational study of electrification of liquid dielectrics in channel flow and at moderate turbulence intensities. For purposes of computational savings this study consists of large eddy simulations, according to which the large turbulent scales are directly resolved by the computational grid while the effect of the smaller unresolved scales is suitably modeled. First we examine different subgrid-scale models for the electric charge density. Their efficacy is then assessed via comparisons with results from direct numerical simulations at low turbulence intensities. According to our comparisons and analysis, the most efficient model is the one based on the eddy diffusivity approach and the introduction of the turbulent electric Schmidt number. Subsequently, we present numerical results of electrification of benzene in channel flow and at different Reynolds numbers. Herein we discuss the various stages of the electrification process and the variation of the total charge and streaming current with the turbulence intensity. According to our findings, the increase of the turbulence intensity rises dramatically not only the amount of charge transported in the bulk of the fluid but also the rate at which this transport takes place. Finally, we present results for the statistics of the charge density, which provide additional insight about the distribution of the electric charges in the liquid.

Effect of working fluid charging amount on system performance in an ocean thermal energy conversion system

In ocean thermal energy conversion (OTEC) systems, the initial working fluid charging amount is crucial as it relates to the system’s performance and economic cost. But currently, there is no clear standard for it, and as the working fluid circulating pump is the most direct and only means to regulate the working fluid flow, it is necessary to investigate the coupled effects of it and the working fluid charging amount on the system performance. To this issue, a corresponding experimental facility was established. The coupled effects were investigated by energy and exergy analysis under varying temperature difference. The results showed that varying working fluid charging amount changed the physical state of the working fluid, and the effect on the system varied under dissimilar temperature difference conditions. Compared to the standard charge (8 kg), 75 % of the standard charging amount diminished the system thermal efficiency by 17 % and exergy efficiency by 16 % at small temperature difference (20 °C), whereas a charging amount of more than 100 % resulted in improved thermal efficiency by 14 % and exergy efficiency by 13 %. At large temperature difference (28 °C), 75 %, 125 % and 150 % of the standard working fluid charging amount all improved system performance (thermal efficiency by maximum 16 %, exergy efficiency by maximum 21 %). Besides, an increase in circulating pump frequency improved system performance regardless of the temperature difference and working fluid charging amount. This research innovatively investigates the above problems in the application scenario of OTEC, and provides theoretical and data support for the development of OTEC technology.

Enhanced performance of cyclone separator through coupling of centrifugal force, electrostatic force and particle pre-charge

The electrostatic enhancement can effectively improve the performance of cyclone separator at low load or high-temperature, but its application is limited owing to the reduction of spark voltage in high-temperature. Aiming at this question, a new technology coupling centrifugal force, electrostatic force and particle pre-charge was proposed. The characteristics of particles charging and agglomeration were analyzed, and the influence of different factors on the change of particle partition number concentration and total removal efficiency of cyclone separator were studied. The results showed that, increasing the charge generator voltage and decreasing the main pipe gas velocity can increase the particles charge quantity and improve agglomeration, which is benefit for the efficiency improvement of either cyclone separator or electrostatic cyclone separator, especially at low inlet gas velocity. Higher charge generator voltage and lower inlet gas velocity, more obvious efficiency improvement. The total removal efficiency can be increased by up to 10 % and 9 % respectively for the cyclone separator and electrostatic cyclone separator because of particle pre-charge at 10 m/s of inlet gas velocity, and the removal efficiency of fine particles can also be effectively improved. Comparing with the electrostatic cyclone separator, achieving the same total removal efficiency, the internal voltage can be reduced 16 kV through particle pre-charge. The electrostatic force and centrifugal force were the main factor of the small particles and big particles removal, respectively.

Attraction behavior induces the aggregation and precipitation of organic dyes: Improving efficiency through co-treatment strategy

Organic dyes harm the environment through bioaccumulation, toxicity, water contamination, and persistence. Organic dyes are commonly charged species, while limited works reported the interaction behavior between the charges. In this study, seven typical organic dyes are selected to investigate the general rules of the aggregation-precipitation behaviors between cationic and anionic organic dyes at molecular scale. The maximum precipitation rates of organic dyes reached 96.0 % when the amount of positive charges of cationic dyes was stoichiometric to the negative charges of anionic dyes. The aggregation process is reversible in ethanol solvent and insensitive to temperature, indicating the aggregation behavior is a physical process. The aggregation behavior of cationic and anionic dyes in water and ethanol solvents was simulated at molecular scale. 94.9 % of water molecules dispersed out of the dye clusters within 20 picoseconds in the simulation, while only 0.8 % of ethanol dispersed under the same conditions. The inter-molecule van der Waals force of the ethanol-solvent system was higher than that of the water-solvent system, resulting in the failure of dyes aggregation in ethanol. This study proposed a concise strategy of mixing cationic and anionic dyes in charge balance to cause aggregation and co-precipitation of dyes to improve removal efficiency.

The impact of combined application of biochar and fertilizer on the biochemical properties of soil in soybean fields.

Heilongjiang Province is a major soybean production area in China. To improve soil structure and increase soybean yield, this study examined the effects of combined biochar and chemical fertilizer application on the biochemical properties of soil in a maize-soybean rotation system. The research were conducted from 2021 to 2022 at Heshan Farm Science Park in Heilongjiang Province, this field plot experiment utilized two soybean varieties, Heihe 43 (a high-protein variety) and Keshan 1 (a high-oil variety). In 2021, two plots with similar fertility levels were selected for planting soybeans and maize. In 2022, a maize-soybean rotation was implemented with five treatments: conventional fertilization (CK), increased biochar+reduced fertilizer 1 (F1+B), reduced fertilizer 1 (F1), increased biochar+reduced fertilizer 2 (F2+B), and reduced fertilizer 2 (F2). The study systematically analyzed the effects of combined biochar and chemical fertilizer application on soil chemical properties and microbial characteristics. Over 2 years, results showed that combined application effectively improved soil chemical traits. Compared to conventional fertilization (CK) and reduced fertilization (F1, F2), t he combined application of biochar and chemical fertilizer (F1+B, F2+B) increased soil pH, EC and the absolute value of zeta potential of soil surface, the CEC of soil significantly increased by 15.6-44.3%, the soil surface charge density and the soil surface charge quantity significantly increased by 16.4-73.5%. The combined application of biochar and chemical fertilizer also effectively enhanced the abundance and diversity of soil microbes. Dominant bacterial groups in soybean field soils under different treatments included Actinobacteria, Acidobacteria, Chloroflexi, and Proteobacteria; while dominant fungal groups were Ascomycota, Basidiomycota, and Mortierellomycota. Alpha and Beta diversity analyses revealed that the F1+B treatment significantly enhanced the species richness and diversity of bacteria and fungi in the soil, increasing the proportion and evenness of dominant and beneficial genera.

Experiments on the performance of low temperature air source heat pump based on parallel connection of evaporators

An air source heat pump experimental bench with evaporators connected in parallel at low ambient temperatures is established to investigate the key parameters and operating performance after this retrofit. Experimental tests are conducted on the novel heat pump unit to study the optimal refrigerant charge, heat production capacity and COP at different ambient temperatures, to observe the frost condition in the operation of the unit, and to optimize the control logic. Results show that the optimum refrigerant charge amount after retrofit is 26 kg. Further experiments show that under the condition of −12 °C, heat production capacity of the retrofitted unit is increased by 5.39%, the COP is increased by 4.13%, and the evaporating temperature is increased by 1.50 °C; under the condition of 2 °C, the heat production capacity of the retrofitted unit is increased by 5.72%, the heating COP is increased by 2.51%, and the evaporating temperature is increased by 2.93 °C. At the same operating time, the modified unit has less frost on the evaporator surface. The optimum suction superheat after the modification is 1 °C, and it is at this point that the unit has the highest heating COP, which is 7% higher than at 0 °C suction superheat. The heat production and COP are less affected by the supplement gas superheat. Through the modification of the parallel evaporator, the overall heating performance and frost prevention ability of the unit are greatly improved.

A New Powerful Magnetic Dark Catalyst Based on rGO/Fe3O4/CdSe Nanocomposite for Ultrafast Degradation of Methylene Blue Dye.

In the present study, Rgo/Fe3O4/CdSe as a dark catalyst material was synthesized by a refluxing method. The synthesized magnetic nanocomposites were studied by various analyses such as Fourier transform infrared (FTIR), energy-dispersive X-ray spectroscopy (EDS), field emission scanning electron microscopy (FESEM), X-ray diffractometer (XRD), Raman, Zeta and vibrating sample magnetometer (VSM). Characterization of structural analysis showed that the nanocomposites were successfully synthesized. The absorption spectrum was used to determine the dark catalyst activity of rGO/Fe3O4/CdSe nanocomposite. Analysis of the absorption spectrum showed that the prepared nanocomposites degrade the MB organic dye completely (100%) after 2min of stirring in the dark, also experimenting with different pH showed that the best performance for the degradation of MB occurs in neutral and alkaline media. The Raman spectrum analysis showed that the Fe3O4/CdSe quantum dots (QDs) were correctly incorporated on the reduced graphene oxide (rGO) nanosheets. Zeta potential analysis showed that rGO/Fe3O4/CdSe has a large amount of negative charge on its surface and the surface charge increased by about 16 mV compared to the Fe3O4/CdSe compound. BET and BJH techniques were used to determine the effective surface area and pore size diameter, BET results to determine the effective surface area showed that by adding graphene to the compound, the specific surface area increased from 42.877 m2g-1 to 54.1896 m2g-1. The radical scavenger experiment showed that electrons play an essential role in the degradation process. VSM analysis showed that the prepared nanocomposites have excellent superparamagnetic behavior, this advantage enables the easy collection of nanocatalysts by magnets from wastewater after dye degradation.

Understanding the adsorption performance of hetero-nanocages (C12-B6N6, C12-Al6N6, and B6N6-Al6N6) towards hydroxyurea anticancer drug: a comprehensive study using DFT.

Cancer is a paramount health challenge to global health, which forms tumors that can invade nearby tissues and spread to neighboring cells. Recently, nanotechnology has been used to control the growth of cancer, in which anticancer drugs are delivered to cancerous cells via nanoparticles without damaging healthy tissues. In this study, DFT investigations were carried out to examine the adsorption behavior of C24, B12N12, and Al12N12 nanocages as well as their heterostructures C12-B6N6, C12-Al6N6, and B6N6-Al6N6 towards the hydroxyurea (HU) anticancer drug. In this regard, adsorption energy, interaction distance between the drug and nanocages, charge transfer, energy gap, dipole moment, quantum molecular descriptors, work function, and COSMO surface analysis were analyzed to understand their adsorption performance. Findings demonstrate that the adsorption energies of two hetero-nanocages on their hexagonal (SH) and tetragonal (ST) sites are favorable for the drug delivery process. The computed adsorption energy of B6N6-Al6N6 of the ST/AlN site is 183.59 kJ mol-1, which is higher than that of the C12-Al6N6 nanocage, including minimum adsorption distances. Negative adsorption energy with low adsorption distances implies an attractive interaction between the drug and nanocages. During the interaction, a significant amount of charge is transferred between the drug and nanocages. Furthermore, for both complexes, larger dipole moments were observed in water media compared to gas media. From DOS spectra, prominent peaks were found in the Fermi level after adsorption of HU on the nanocages, implying the reduction of the energy gap. Noticeable overlaps between the PDOS spectra of the nanocages and HU's close contact atom demonstrate the formation of chemical bonds between two specific atoms. Therefore, it can be concluded that among the nanocages, C12-Al6N6 and B6N6-Al6N6 may be suitable carriers for HU drug.

Interaction between underwater explosion bubbles and soil–water interface: A numerical and experimental study

To explore the interaction between underwater explosion bubbles and soil–water interface, a near soil–water interface underwater explosion model based on the arbitrary Lagrangian–Eulerian method was established in this work. The peak pressure of the shock wave, maximum bubble radius, and bubble evolution in free-field and bottom-charge underwater explosions determined from the proposed simulation were highly consistent with the experimental results, thereby validating the proposed numerical model. The effects of the explosion distance and amount of explosive charge on the bubble–soil surface interaction were evaluated. The results showed that the reflection coefficient of the soil–water interface was in the range of 1.204–1.250, suggesting that it was hardly affected by the explosion distance and amount of explosive charge. The attenuation coefficient of the saturated soil was found to be 1.058. With the decrease in the explosion distance, the period and maximum radius of the bubbles slightly increased, and soil deformation increased as the lower surface of the bubbles was closer to the soil surface. For explosion distances of 0.3 and 0.4 m, only an overall movement of the soil surface was observed. When the explosion distance was 0.2 m or lower, a powerful downward jet was generated upon the pulsation of the first bubble, resulting in craters and slender depressions in the soil. With the increase in the amount of explosive charge, the period and maximum radius of the bubbles increased, and soil deformation also increased. These findings are expected to help advance our understanding of underwater explosion dynamics.

Experimental and numerical study on bubble pulsation characteristics of underwater explosions with multiple charges

This study examines the processes of expansion, merging, and collapse of multiple underwater explosion bubbles through experimental and numerical methods. A small-scale underwater explosion experiment was conducted in a water tank. The behaviors of three and four bubbles during expansion, merging, and collapse were captured using high-speed photography, and the effects of the quantity and spacing of the explosive charge on the bubble dynamics were analyzed. The results indicate that the evolution of bubble behavior in multiple charge underwater explosions, including the bubble period and radius, is significantly influenced by the spacing between charges. With a decrease in the ratio of the charge spacing to the bubble radius, the period of the merged bubble increases progressively. Independent small bubbles do not interact when the distance between charges exceeds 1.3 times the bubble radius. Furthermore, when the ratio of the spacing to the initial bubble radius (L/rb) is between 1.0 and 1.3, multiple bubbles merge during the contraction phase. When the spacing is less than the maximum radius of the bubbles, multiple bubbles inevitably merge, with fusion occurring during the expansion phase.

Air blast resistance of ARMOX 500T Steel plates with standard thickness: Experimental and numerical consideration

The numerical and experimental examinations in the behavior of ARMOX 500 T steel plates of a standard thickness under blast loading are presented in this study. Furthermore, the dynamic reaction of the steel plate is crucial, particularly when subjected to blast loads produced by various explosive forms and at a certain stand-off distance (SoD). This study conducted experimental and numerical simulation tests on steel plates under the close-range air blast loads generated by 150 g TNT cylindrical explosives, which are the most widely used explosives in the military and engineering fields. In order to investigate the failure modes of steel plates, close-range air blast load experiments were conducted at a 400 mm SoD. Pressure gauges were positioned at equal distances, and the impact of these tests on the failure deformation and dynamic response of the steel plate was quantitatively examined. Ultimately, the properties of shock waves produced by cylindrical explosives were examined in order to ascertain how SoD and charge quantity affected the shock waves' spatial dispersion.

Nature of Charge Transfer Effects in Complexes of Dopamine Derivatives Adsorbed on Graphene-Type Nanostructures

Continuing the investigation started for dopamine (DA) and dopamine-o-quinone (DoQ) (see, the light absorption and charge transfer properties of the dopamine zwitterion (called dopamine-semiquinone or DsQ) adsorbed on the graphene nanoparticle surface is investigated using the ground state and linear-response time-dependent density functional theories, considering the ωB97X-D3BJ/def2-TZVPP level of theory. In terms of the strength of molecular adsorption on the surface, the DsQ form has 50% higher binding energy than that found in our previous work for the DA or DoQ cases (−20.24 kcal/mol vs. −30.41 kcal/mol). The results obtained for electronically excited states and UV-Vis absorption spectra show that the photochemical behavior of DsQ is more similar to DA than that observed for DoQ. Of the three systems analyzed, the DsQ-based complex shows the most active charge transfer (CT) phenomenon, both in terms of the number of CT-like states and the amount of charge transferred. Of the first thirty electronically excited states computed for the DsQ case, eleven are purely of the CT type, and nine are mixed CT and localized (or Frenkel) excitations. By varying the adsorption distance between the molecule and the surface vertically, the amount of charge transfer obtained for DA decreases significantly as the distance increases: for DoQ it remains stable, for DsQ there are states for which little change is observed, and for others, there is a significant change. Furthermore, the mechanistic compilation of the electron orbital diagrams of the individual components cannot describe in detail the nature of the excitations inside the complex.

High-Temperature Superconductivity in Perovskite Hydride Below 10GPa.

Hydrogen and hydride materials have long been considered promising materials for high-temperature superconductivity. However, the extreme pressures required for the metallization of hydrogen-based superconductors limit their applications. Here, a series of high-temperature perovskite hydrides is designed that can be stable within 10GPa. The research covered 182 ternary systems and ultimately determined that eight new compounds are stable within 20GPa, of which five exhibited superconducting transition temperatures exceeding 120 K within 10GPa, including KGaH3 (146 K at 10GPa), RbInH3 (130 K at 6GPa), CsInH3 (153 K at 9GPa), RbTlH3 (170 K at 4GPa) and CsTlH3 (163 K at 7GPa). Excitingly, KGaH3 and RbGaH3 are thermodynamically stable at 50GPa. Among these perovskite hydrides, alkali metals are responsible for providing a fixed amount of charge and supporting alloy framework composed of hydrogen and IIIA group elements to maintain stable crystal structure, while the cubic hydrogen alloy framework formed by IIIA group elements and hydrogen is crucial for high-temperature superconductivity. This work will inspire further experimental exploration and take an important step in the exploration of low-pressure stable high-temperature superconductors.