Quantitative characterization of the brittleness of deep shales by integrating mineral content,elastic parameters,in situ stress conditions and logging analysis

Deep shale reservoirs(3500–4500 m)exhibit significantly different stress states than moderately deep shale reservoirs(2000–3500 m).As a result,the brittleness response mechanisms of deep shales are also different.It is urgent to investigate methods to evaluate the brittleness of deep shales to meet the increasingly urgent needs of deep shale gas development.In this paper,the quotient of Young’s modulus divided by Poisson’s ratio based on triaxial compression tests under in situ stress conditions is taken as SSBV(Static Standard Brittleness Value).A new and pragmatic technique is developed to determine the static brittleness index that considers elastic parameters,the mineral content,and the in situ stress conditions(BIEMS).The coefficient of determination between BIEMS and SSBV reaches 0.555 for experimental data and 0.805 for field data.This coefficient is higher than that of other brittleness indices when compared to SSBV.BIEMS can offer detailed insights into shale brittleness under various conditions,including different mineral compositions,depths,and stress states.This technique can provide a solid data-based foundation for the selection of‘sweet spots’for single-well engineering and the comparison of the brittleness of shale gas production layers in different areas.

Growth and inhibition of zinc anode dendrites in Zn-air batteries:Model and experiment

Zinc(Zn)-air batteries are widely used in secondary battery research owing to their high theoretical energy density,good electrochemical reversibility,stable discharge performance,and low cost of the anode active material Zn.However,the Zn anode also leads to many challenges,including dendrite growth,deformation,and hydrogen precipitation self-corrosion.In this context,Zn dendrite growth has a greater impact on the cycle lives.In this dissertation,a dendrite growth model for a Zn-air battery was established based on electrochemical phase field theory,and the effects of the charging time,anisotropy strength,and electrolyte temperature on the morphology and growth height of Zn dendrites were studied.A series of experiments was designed with different gradient influencing factors in subsequent experiments to verify the theoretical simulations,including elevated electrolyte temperatures,flowing electrolytes,and pulsed charging.The simulation results show that the growth of Zn dendrites is controlled mainly by diffusion and mass transfer processes,whereas the electrolyte temperature,flow rate,and interfacial energy anisotropy intensity are the main factors.The experimental results show that an optimal electrolyte temperature of 343.15 K,an optimal electrolyte flow rate of 40 ml·min^(-1),and an effective pulse charging mode.

General and specialized metabolites in peanut roots regulate arbuscular mycorrhizal symbiosis

Arbuscular mycorrhizae(AM)fungi form symbiotic associations with plant roots,providing nutritional benefits and promoting plant growth and defenses against various stresses.Metabolic changes in the roots during AM fungal colonization are key to understanding the development and maintenance of these symbioses.Here,we investigated metabolic changes in the roots of peanut(Arachis hypogaea L.)plants during the colonization and development of AM symbiosis,and compared them to uncolonized roots.The primary changes during the initial stage of AM colonization were in the contents and compositions of phenylpropanoid and flavonoid compounds.These compounds function in signaling pathways that regulate recognition,interactions,and pre-colonization between roots and AM fungi.Flavonoid compounds decreased by 25%when the symbiosis was fully established compared to the initial colonization stage.After AM symbiosis was established,general metabolism strongly shifted toward the formation of lipids,amino acids,carboxylic acids,and carbohydrates.Lipid compounds increased by 8.5%from the pre-symbiotic stage to well-established symbiosis.Lyso-phosphatidylcholines,which are signaling compounds,were only present in AM roots,and decreased in content after the symbiosis was established.In the initial stage of AM establishment,the content of salicylic acid increased two-fold,whereas jasmonic acid and abscisic acid decreased compared to uncolonized roots.The jasmonic acid content decreased in roots after the symbiosis was well established.AM symbiosis was associated with high levels of calcium,magnesium,and D-(+)-mannose,which stimulated seedling growth.Overall,specific metabolites that favor the establishment of AM symbiosis were common in the roots,primarily during early colonization,whereas general metabolism was strongly altered when AM symbiosis was well-established.In conclusion,specialized metabolites function as signaling compounds to establish AM symbiosis.These compounds are no longer produced after the symbiosis between the roots and AM becomes fully established.

Magnesium fertilizer application increases peanut growth and pod yield under reduced nitrogen application in southern China

This study investigated the effect of magnesium application on peanut growth and yield under two nitrogen(N)application rates in acidic soil in southern China.The chlorophyll content,net photosynthetic rate and dry matter accumulation of the N-sensitive cultivar decreased under reduced N treatments,whereas no effect was observed on the relevant indicators in the N-insensitive variety GH1026.Mg application increased the net photosynthetic rate by increasing the expression of genes involved in chlorophyll synthesis and Rubisco activity in the leaves during the pegging stage under 50%N treatment,while no effect on the net photosynthetic rate was observed under the 100%N treatment.The rate of dry matter accumulation at the early growth stage,total dry matter accumulation and pod yield at harvest increased after Mg application under 50%N treatment by increasing the transportation of assimilates from stems and leaves to pods in both peanut varieties,whereas no effect was found under 100%N treatment.Moreover,Mg application increased the NUE under 50%N treatment.No improvement of NUE in either peanut variety was found under 100%N treatment,while Mg application under the 50%N treatment can obtain a higher economic benefit than the 100%N treatment.In acidic soil,application of 307.5 kg ha^(-1)of Mg sulfate fertilizer under 50%reduced nitrogen application is a suitable fertilizer management measure for improving carbon assimilation,NUE and achieve high peanut yields in southern China.

Accelerating the Screening of Modified MA_(2)Z_(4) Catalysts for Hydrogen Evolution Reaction by Deep Learning-Based Local Geometric Analysis

Machine learning(ML)integrated with density functional theory(DFT)calculations have recently been used to accelerate the design and discovery of single-atom catalysts(SACs)by establishing deep structure–activity relationships.The traditional ML models are always difficult to identify the structural differences among the single-atom systems with different modification methods,leading to the limitation of the potential application range.Aiming to the structural properties of several typical two-dimensional MA_(2)Z_(4)-based single-atom systems(bare MA_(2)Z_(4) and metal single-atom doped/supported MA_(2)Z_(4)),an improved crystal graph convolutional neural network(CGCNN)classification model was employed,instead of the traditional machine learning regression model,to address the challenge of incompatibility in the studied systems.The CGCNN model was optimized using crystal graph representation in which the geometric configuration was divided into active layer,surface layer,and bulk layer(ASB-GCNN).Through ML and DFT calculations,five potential single-atom hydrogen evolution reaction(HER)catalysts were screened from chemical space of 600 MA_(2)Z_(4)-based materials,especially V_(1)/HfSn_(2)N_(4)(S)with high stability and activity(Δ_(GH*)is 0.06 eV).Further projected density of states(pDOS)analysis in combination with the wave function analysis of the SAC-H bond revealed that the SAC-dz^(2)orbital coincided with the H-s orbital around the energy level of−2.50 eV,and orbital analysis confirmed the formation ofσbonds.This study provides an efficient multistep screening design framework of metal single-atom catalyst for HER systems with similar two-dimensional supports but different geometric configurations.

Ionization Potential Depression Model for Warm/Hot and Dense Plasmas

For warm/hot and dense plasmas(WDPs),ionization potential depression(IPD)plays a crucial role in determining its ionization balance and understanding the resultant microscopic plasma properties.A sophisticated and unified IPD model is necessary to resolve those existing discrepancies between theoretical and experimental results.However,the applicability of those widely used IPD models nowadays is limited,especially for the nonlocal thermodynamic equilibrium(non-LTE)dense plasma produced by short-pulse laser.In this work,we propose an IPD model that considers inelastic atomic processes,in which three-body recombination and collision ionization processes are found to play a crucial role in determining the electron distribution and IPD for a WDP.This IPD model is validated by reproducing latest experimental results of Al plasmas with a wide-range condition of 70 eV–700 eV temperature and 0.2–3 times solid density,as well as a typical non-LTE system of hollow Al ions.It is demonstrated that the present IPD model has a significant temperature dependence due to the consideration of the inelastic collision processes.With a lower computational cost and wider application range of plasma conditions,the proposed model is expected to provide a promising tool to study the ionization balance and the atomic processes,as well as the related radiation and particle transports properties of the WDP.

Application of integrated geophysical techniques in geothermal exploration in Binhai County, Jiangsu Province

Integrated geophysical technology is a necessary and effective means for geothermal exploration.However,integration of geophysical technology for large‐scale surveys with those for geothermal reservoir localization is still in development.This study used the controlled source audio‐frequency magnetotelluric method technology for large‐scale exploration to obtain underground electrical structure information and micromotion detection technology to obtain underground wave velocity structure information.The combination of two detection technologies was used for local identification of geothermal reservoirs.Further,auxiliary correction and inversion constraint were implemented through the audio magnetotelluric sounding technology for maximum authenticity restoration of the near‐and transition‐field data.Through these technology improvements,a geothermal geological model was established for the Binhai County of Jiangsu Province in China and potential geothermal well locations were identified.On this basis,a geothermal well was drilled nearly 3000m deep,with a daily water volume of over 2000m3/day and a geothermal water temperature of 51°C at the well head.It is found that predictions using the above integrated geophysical exploration technology are in good agreement with the well geological formation data.This integrated geophysical technology can be effectively applied for geothermal exploration with high precision and reliability.

Deep sea mineral resources and underground space as well as infrastructure for sustainable and liveable cities

This issue covers the papers on two special themes:(1)Mineral resources from deep sea—Science and Engineering and(2)Planning and development of underground space and infrastructure for sustainable and liveable cities.

Geothermal energy for sustainable and green energy supply in the future

Deep Underground Science and Engineering(DUSE)publishes this special issue on geothermal energy.The guest editors of this special issue are Prof.Ranjith Pathegama Gamage(Monash University,Australia),Prof.Zhongwei Huang(China University of Petroleum,Beijing,China),and Prof.Bing Bai(Institute of Rock and Soil Mechanics,Chinese Academy of Sciences,Wuhan,China).Geothermal energy is one sustainable and renewable energy and currently a hot research topic in research and development.Geothermal energy supply is one of the long-term efforts for carbon footprint reductions to tackle climate change issues.The development of geothermal energy includes exploration and extraction processes.This special issue is to highlight the challenges on the exploration and extraction of geothermal energy such as initial high cost and difficulties in heat extraction from deep underground.This special issue focuses on new geothermal extraction system,new theory,new technology,new application of latest techniques such as artificial intelligence,and potential environmental effects.

Two-year growth of Deep Underground Science and Engineering: A perspective

Deep Underground Science and Engineering(DUSE)launched its first issue in September 2022 as a quarterly journal.So far,it has published 106 articles with nine issues and online early view.The volume of received manuscripts increases by 50%each year and over 200 manuscripts were received by 28th of November 2024.In the early period,DUSE authorship came from five countries and now reaches 29 countries.DUSE articles have been downloaded over 97000 times by readers from 170 countries/regions.It is indeed encouraging to note that DUSE has been admitted to different indices,including ESCI(August 2024),EI(March 2024),Scopus(July 2023),and DOAJ(May 2023).Its CiteScore in Scopus was 2.2 in 2023 and increased to 5.1 at the mid-November 2024.Its first impact factor from the Web of Science will be available in 2025.DUSE is growing to be a rapidly recognized international journal by readers in deep underground research and practice.

Nonlinear dynamic analysis of cantilevered piezoelectric energy harvesters under simultaneous parametric and external excitations

The nonlinear dynamics of cantilevered piezoelectric beams is investigated under simultaneous parametric and external excitations. The beam is composed of a substrate and two piezoelectric layers and assumed as an Euler-Bernoulli model with inextensible deformation. A nonlinear distributed parameter model of cantilevered piezoelectric energy harvesters is proposed using the generalized Hamilton＇s principle. The proposed model includes geometric and inertia nonlinearity, but neglects the material nonlinearity. Using the Galerkin decomposition method and harmonic balance method, analytical expressions of the frequency-response curves are presented when the first bending mode of the beam plays a dominant role. Using these expressions, we investigate the effects of the damping, load resistance, electromechanical coupling, and excitation amplitude on the frequency-response curves. We also study the difference between the nonlinear lumped-parameter and distributed- parameter model for predicting the performance of the energy harvesting system. Only in the case of parametric excitation, we demonstrate that the energy harvesting system has an initiation excitation threshold below which no energy can be harvested. We also illustrate that the damping and load resistance affect the initiation excitation threshold.

Catalytic roles of the acid sites in different pore channels of H‐ZSM‐5 zeolite for methanol‐to‐olefins conversion

H‐ZSM‐5 zeolite is a typical catalyst for methanol‐to‐olefins(MTO)conversion.Although the performance of zeolite catalysts for MTO conversion is related to the actual location of acid sites in the zeolite framework,the catalytic roles of the acid sites in different pore channels of the H‐ZSM‐5 zeolite are not well understood.In this study,the MTO reaction network,involving the aromatic cycle,alkene cycle,and aromatization process,and also the diffusion behavior of methanol feedstock and olefin and aromatic products at different acid sites in the straight channel,sinusoidal channel,and intersection cavity of H‐ZSM‐5 zeolite was comparatively investigated using density functional theory calculations and molecular dynamic simulations.The results indicated that the aromatic cycle and aromatization process occurred preferentially at the acid sites in the intersection cavities with a much lower energy barrier than that at the acid sites in the straight and sinusoidal channels.In contrast,the formation of polymethylbenzenes was significantly suppressed at the acid sites in the sinusoidal and straight channels,whereas the alkene cycle can occur at all three types of acid sites with similar energy barriers and probabilities.Consequently,the catalytic performance of H‐ZSM‐5 zeolite for MTO conversion,including activity and product selectivity,can be regulated properly through the purposive alteration of the acid site distribution,viz.,the location of Al in the zeolite framework.This study helps to elucidate the relation between the catalytic performance of different acid sites in the H‐ZSM‐5 zeolite framework for MTO conversion,which should greatly benefit the design of efficient catalyst for methanol conversion.

Simulation and visualization of the displacement between CO2 and formation fluids at pore-scale levels and its application to the recovery of shale gas

This article reports recent developments and advances in the simulation of the CO2-formation fluid displacement behaviour at the pore scale of subsurface porous media. Roughly, there are three effective visualization approaches to detect and observe the CO2-formation fluid displacement mechanism at the micro-scale, namely, magnetic resonance imaging, X-ray computed tomography and fabricated micromodels, but they are not capable of investigating the dis- placement process at the nano-scale. Though a lab-on-chip approach for the direct visualization of the fluid flow behaviour in nanoscale channels has been developed using an advanced epi-fluorescence microscopy method combined with a nanofluidic chip, it is still a qualitative analysis method. The lattice Boltzmann method （LBM） can simulate the CO2 displacement processes in a two-dimensional or three-dimensional （3D） pore structure, but until now, the CO2 displace- ment mechanisms had not been thoroughly investigated and the 3D pore structure of real rock had not been directly taken into account in the simulation of the CO2 displacement process. The status of research on the applications of CO2 displacement to enhance shale gas recovery is also analyzed in this paper. The coupling of molecular dynamics and LBM in tandem is proposed to simulate the CO2-shale gas displacement process based on the 3D digital model of shale obtained from focused ion beams and scanning electron microscopy.

Theoretical and numerical research of wire array Z-pinch and dynamic hohlraum at IAPCM

Dense Z-pinch plasmas are powerful and energy-efficient laboratory sources of X-rays,and show the possibility to drive inertial confinement fusion(ICF).Recent advances in wire-array Z-pinch and Z-pinch dynamic hohlraum(ZPDH)researches at the Institute of Applied Physics and Computational Mathematics are presented in this paper.Models are setup to study different physical processes.A full circuit model(FCM)was used to study the coupling between Z-pinch implosion and generator discharge.A mass injection model with azimuthal modulation was setup to simulate the wire-array plasma initiation,and the two-dimensional MHD code MARED was developed to investigate the Z-pinch implosion,MRT instability,stagnation and radiation.Implosions of nested and quasi-spherical wire arrays were also investigated theoretically and numerically.Key processes of ZPDH,such as the arrayefoam interaction,formation of the hohlraum radiation,as well as the following capsule ablation and implosion,were analyzed with different radiation magneto-hydrodynamics(RMHD)codes.An integrated 2D RMHD simulation of dynamic hohlraum driven capsule implosion provides us the physical insights of wire-array plasma acceleration,shock generation and propagation,hohlraum formation,radiation ablation,and fuel compression.

A theoretical study of electrocatalytic ammonia synthesis on single metal atom/MXene

Electrocatalytic ammonia synthesis under mild conditions is an attractive and challenging process in the earth’s nitrogen cycle,which requires efficient and stable catalysts to reduce the overpotential.The N2 activation and reduction overpotential of different Ti3C2O2-supported transition metal(TM)(Sc,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Mo,Ru,Rh,Pd,Ag,Cd,and Au)single-atom catalysts have been analyzed in terms of the Gibbs free energies calculated using the density functional theory(DFT).The end-on N2 adsorption was more energetically favorable,and the negative free energies represented good N2 activation performance,especially in the presence Fe/Ti3C2O2(﹣0.75 eV).The overpotentials of Fe/Ti3C2O2,Co/Ti3C2O2,Ru/Ti3C2O2,and Rh/Ti3C2O2 were 0.92,0.89,1.16,and 0.84 eV,respectively.The potential required for ammonia synthesis was different for different TMs and ranged from 0.68 to 2.33 eV.Two possible potential-limiting steps may be involved in the process:(i)hydrogenation of N2 to*NNH and(ii)hydrogenation of*NH2 to ammonia.These catalysts can change the reaction pathway and avoid the traditional N–N bond-breaking barrier.It also simplifies the understanding of the relationship between the Gibbs free energy and overpotential,which is a significant factor in the rational designing and large-scale screening of catalysts for the electrocatalytic ammonia synthesis.

Experimental study of the dynamic mechanical responses and failure characteristics of coal under true triaxial confinements

Investigations on the dynamic mechanical properties and failure mechanisms of coal under in-situ stress is essential for the prevention of dynamic disasters in deep coal mines.Thus,a modified true triaxial Hopkinson bar was employed to explore the dynamic mechanical behaviors of coal at different confining pressures(0–20 MPa)and strain rates(40–220 s^(-1)).The results show that the dynamic peak stress is positively correlated with lateral static pre-stressσy andσz,but negatively correlated with axial static prestressσx.At approximate strain rates,increasing the lateral static pre-stress facilitates increasing the dynamic peak stress,but the minimum lateral static pre-stress is the primary factor limiting a significant increase in dynamic peak stress of coal.Furthermore,the dynamic differential stress is linearly related to the logarithm of strain rate,and the peak strain varies linearly with strain rate.However,there is no significant correlation between confining pressure and peak strain.Moreover,X-ray CT images and photographic fracture observations of coal samples show the failure patterns under uniaxial and triaxial conditions are splitting failure and shear failure,respectively.The device provides a viable approach for fully comprehending the dynamic mechanical behaviors of rock-like material in complex stress conditions.

Mechanical Response and Energy Dissipation Analysis of Heat-Treated Granite Under Repeated Impact Loading

The mechanical behaviors and energy dissipation characteristics of heat-treated granite were investigated under repeated impact loading.The granite samples were firstly heat-treated at the temperature of 20℃,200℃,400℃,and 600℃,respectively.The thermal damage characteristics of these samples were then observed and measured before impact tests.Dynamic impact compression tests finally were carried out using a modified split-Hopkinson pressure bar under three impact velocities of 12 m/s,15 m/s,and 18 m/s.These test results show that the mineral composition and the main oxides of the granite do not change with these treatment temperatures.The number of microcracks and microvoids decreases in the sample after 200℃ treatment.The mechanical properties of a sample after 600℃ treatment were rapidly deteriorated under the same impact velocity.The average of peak stress is much smaller than those after 20℃,200℃ and 400℃ treatments.The heat-treated samples have an energy threshold each.When the dissipated energy of a sample under a single impact is less than this threshold,the repeated impacts hardly lead to further damage accumulation even if its total breakage energy dissipation(BED)density is large.Under the same number of repeated impacts,the cumulative BED density of a sample after 600℃ treatment is the largest and its damage evolves most quickly.The total BED density of the sample after 200℃ treatment is the highest,which implies that this sample has better resistance to repeated impact,thus having less crack initiation and growth.

Review of quantum collision dynamics in Debye plasmas

Hot,dense plasmas exhibit screened Coulomb interactions,resulting from the collective effects of correlated many-particle interactions.In the lowest particle correlation order(pair-wise correlations),the interaction between charged plasma particles reduces to the DebyeeHu¨ckel(Yukawa-type)potential,characterized by the Debye screening length.Due to the importance of Coulomb interaction screening in dense laboratory and astrophysical plasmas,hundreds of theoretical investigations have been carried out in the past few decades on the plasma screening effects on the electronic structure of atoms and their collision processes employing the DebyeeHu¨ckel screening model.The present article aims at providing a comprehensive review of the recent studies in atomic physics in Debye plasmas.Specifically,the work on atomic electronic structure,photon excitation and ionization,electron/positron impact excitation and ionization,and excitation,ionization and charge transfer of ion-atom/ion collisions will be reviewed.

Recent advances in heterogeneous catalytic hydrogenation and dehydrogenation of N-heterocycles

The selective hydrogenation of quinolines to 1,2,3,4-tetrahydroquinolines(py-THQ) and its derivatives has attracted a considerable amount of attention as they show great versatility in many pharmaceuticals, agrochemicals, and fine chemicals. Over the past few decades, great breakthroughs have been achieved in the controlled synthesis of efficient heterogeneous catalysts used for the selective hydrogenation of functionalized quinoline compounds, which allow one to correlate the structure-property relationships. In this review, we will summarize the recent significant progress achieved in this field covering the synthetic strategies, microstructural and chemical features, catalytic performance, and internal relationships. State-of-the-art noble metal-based single(Pd, Pt, Ru, Rh, Ir and Au) and bi/multi-metallic catalysts(RuCu, AuPd, and PdNi) are first introduced, followed by a summary of earth-abundant metal-based catalysts(Co, Fe, Ni, and Cu). Finally, the dehydrogenation of N-heterocycles is introduced to form a reversible hydrogenation/dehydrogenation system for H2 storage, which can be employed in a liquid organic hydrogen system. Furthermore, the reaction mechanism and future research direction in these areas are also discussed. This review will deepen our understanding of the catalytic transformation of N-heterocycles and provide guidance for researchers on the rational design of catalysts.

雷酸家族史话

通过雷酸自我介绍的方式来介绍雷酸及雷酸盐的发现、结构的解析以及在社会生活中的应用。从早期炼金术士发现雷酸汞,到结构分析中同分异构体概念的提出,再到诺贝尔采用雷酸汞研制炸药的成功,雷酸家族的故事为科学与技术彼此交融、共同进步提供了一个很好的例子。