Recent reports suggest that aging is not solely a physiological process in living beings;instead, it should be considered a pathological process or disease(Amorim et al., 2022). Consequently, this process involves a w...Recent reports suggest that aging is not solely a physiological process in living beings;instead, it should be considered a pathological process or disease(Amorim et al., 2022). Consequently, this process involves a wide range of factors, spanning from genetic to environmental factors, and even includes the gut microbiome(GM)(Mayer et al., 2022). All these processes coincide at some point in the inflammatory process, oxidative stress, and apoptosis, at different degrees in various organs and systems that constitute a living organism(Mayer et al., 2022;AguilarHernández et al., 2023).展开更多
Sinter is the core raw material for blast furnaces.Flue pressure,which is an important state parameter,affects sinter quality.In this paper,flue pressure prediction and optimization were studied based on the shapley a...Sinter is the core raw material for blast furnaces.Flue pressure,which is an important state parameter,affects sinter quality.In this paper,flue pressure prediction and optimization were studied based on the shapley additive explanation(SHAP)to predict the flue pressure and take targeted adjustment measures.First,the sintering process data were collected and processed.A flue pressure prediction model was then constructed after comparing different feature selection methods and model algorithms using SHAP+extremely random-ized trees(ET).The prediction accuracy of the model within the error range of±0.25 kPa was 92.63%.SHAP analysis was employed to improve the interpretability of the prediction model.The effects of various sintering operation parameters on flue pressure,the relation-ship between the numerical range of key operation parameters and flue pressure,the effect of operation parameter combinations on flue pressure,and the prediction process of the flue pressure prediction model on a single sample were analyzed.A flue pressure optimization module was also constructed and analyzed when the prediction satisfied the judgment conditions.The operating parameter combination was then pushed.The flue pressure was increased by 5.87%during the verification process,achieving a good optimization effect.展开更多
Recently published in Joule,Feng Liu and colleagues from Shanghai Jiaotong University reported a record-breaking 20.8%power conversion efficiency in organic solar cells(OSCs)with an interpenetrating fibril network act...Recently published in Joule,Feng Liu and colleagues from Shanghai Jiaotong University reported a record-breaking 20.8%power conversion efficiency in organic solar cells(OSCs)with an interpenetrating fibril network active layer morphology,featuring a bulk p-in structure and proper vertical segregation achieved through additive-assisted layer-by-layer deposition.This optimized hierarchical gradient fibrillar morphology and optical management synergistically facilitates exciton diffusion,reduces recombination losses,and enhances light capture capability.This approach not only offers a solution to achieving high-efficiency devices but also demonstrates the potential for commercial applications of OSCs.展开更多
Thin walls of an AZ91 magnesium alloy with fine equiaxed grains were fabricated via cold arc-based wire arc additive manufacturing(CA-WAAM),and the droplet transfer behaviours,microstructures,and mechanical properties...Thin walls of an AZ91 magnesium alloy with fine equiaxed grains were fabricated via cold arc-based wire arc additive manufacturing(CA-WAAM),and the droplet transfer behaviours,microstructures,and mechanical properties were investigated.The results showed that the cold arc process reduced splashing at the moment of liquid bridge breakage and effectively shortened the droplet transfer period.The microstructures of the deposited samples exhibited layered characteristics with alternating distributions of coarse and fine grains.During layer-by-layer deposition,the β-phase precipitated and grew preferentially along grain boundaries,while the fineη-Al_(8)Mn_(5)phase was dispersed in the α-Mg matrix.The mechanical properties of the CA-WAAM deposited sample showed isotropic characteristics.The ultimate tensile strength and elongation in the building direction(BD)were 282.7 MPa and 14.2%,respectively.The microhardness values of the deposited parts were relatively uniform,with an average value of HV 69.6.展开更多
Landslide dams,as frequent natural hazards,pose significant risks to human lives,property,and ecological environments.The grading characteristics and density of dam materials play a crucial role in determining the sta...Landslide dams,as frequent natural hazards,pose significant risks to human lives,property,and ecological environments.The grading characteristics and density of dam materials play a crucial role in determining the stability of landslide dams and the potential for dam breaches.To explore the failure mechanisms and evolutionary processes of landslide dams with varying soil properties,this study conducted a series of flume experiments,considering different grain compositions and material densities.The results demonstrated that grading characteristics significantly influence landslide dam stability,affecting failure patterns,breach processes,and final breach morphologies.Fine-graded materials exhibited a sequence of surface erosion,head-cut erosion,and subsequent surface erosion during the breach process,while well-graded materials typically experienced head-cut erosion followed by surface erosion.In coarse-graded dams,the high permeability of coarse particles allowed the dam to remain stable,as inflows matched outflows.The dam breach model experiments also showed that increasing material density effectively delayed the breach and reduced peak breach flow discharge.Furthermore,higher fine particle content led to a reduction in the residual dam height and the base slope of the final breach profile,although the relationship between peak breach discharge and the content of fine and coarse particles was nonlinear.To better understand breach morphology evolution under different soil characteristics and hydraulic conditions,three key points were identified—erosion point,control point,and scouring point.This study,by examining the evolution of failure patterns,breach processes,and breach flow discharges under various grading and density conditions,offers valuable insights into the mechanisms behind landslide dam failures.展开更多
This study aims to enhance the digital drilling process monitoring(DPM)or monitoring while drilling(MWD)technique,which is a widely recognized method in geological exploration for evaluating rock mass quality.First,ro...This study aims to enhance the digital drilling process monitoring(DPM)or monitoring while drilling(MWD)technique,which is a widely recognized method in geological exploration for evaluating rock mass quality.First,robust displacement and torque measurement facilities for rotary-core drilling are discussed.The conventional cable encoder for displacement measurement is replaced with a magnetostrictive displacement sensor,which is more reliable in harsh field drilling environments.This enables the measurement of the bit position with an accuracy of<1 mm.Most importantly,this new instrument is proven to be successful in improving the detection of structural discontinuities with thicknesses>1 mm.In addition,by measuring the electric current of the driving motor,the torque applied to the bit is conveniently and accurately converted.These innovations ensure high-quality data collection for DPM practices.Second,two indices derived from DPM are proposed to quantitatively describe rock mass quality.The specific energy index(SEI)and specific penetration index(SPI)are based on the principles of energy conservation and Mohr-Coulomb failure criterion,respectively.Extensive field tests conducted in a dam grouting area confirm a linear relationship between the thrust force and penetration per rotation,and between the torque and penetration per rotation.The correlation ratios of the related regressions are typically>0.9.These two indices allow for the quantitative interpretation of DPM data into rock mechanics characteristics,such as uniaxial compressive strength,rock quality designation(RQD),and rock mass permeability,eliminating the need for subjective judgment normally involved in the currently used rock mass quality rating approaches.展开更多
Electronically non-adiabatic processes are essential parts of photochemical process, collisions of excited species, electron transfer processes, and quantum information processing. Various non-adiabatic dynamics metho...Electronically non-adiabatic processes are essential parts of photochemical process, collisions of excited species, electron transfer processes, and quantum information processing. Various non-adiabatic dynamics methods and their numerical implementation have been developed in the last decades. This review summarizes the most significant development of mixed quantum-classical methods and their applications which mainly include the Liouville equa- tion, Ehrenfest mean-field, trajectory surface hopping, and multiple spawning methods. The recently developed quantum trajectory mean-field method that accounts for the decoherence corrections in a parameter-free fashion is discussed in more detail.展开更多
This paper investigates the propagation of linear dust acoustic waves in inhomogeneous dusty plasmas due to spatial gradients of dust charge, plasma densities. A linear dispersion relation is obtained with the non-adi...This paper investigates the propagation of linear dust acoustic waves in inhomogeneous dusty plasmas due to spatial gradients of dust charge, plasma densities. A linear dispersion relation is obtained with the non-adiabatic dust charge iguctuation and the non-thermally distributed ions. The numerical results show that the inhomogeneity, nonthermal ions and non-adlabatic dust charge iguctuatlon have strong iniguence on the frequency and the damping rate of waves.展开更多
Undoped nickel-based catalysts supported on depleted uranium oxide allow one to carry out CO_(2)methanation process under extremely low reaction temperature under atmospheric pressure and powered by a contactless indu...Undoped nickel-based catalysts supported on depleted uranium oxide allow one to carry out CO_(2)methanation process under extremely low reaction temperature under atmospheric pressure and powered by a contactless induction heating.By adjusting the reaction conditions,the catalyst is able to perform CO_(2)methanation reaction under autothermal process operated inside a non-adiabatic reactor,without any external energy supply.Such autothermal process is possible thanks to the high apparent density of the UO_x which allows one to confine the reaction heat in a small catalyst volume in order to confine the exothermicity of the reaction inside the catalyst and to operate the reaction at equilibrium heat in-heat out.Such autothermal operation mode allows one to significantly reduce the complexity of the process compared to that operated using adiabatic reactor,where complete insulation is required to prevent heat disequilibrium,in order to reduce as much as possible,the heat exchange with the external medium.The catalyst displays an extremely high stability as a function of time on stream as no apparent deactivation.It is expected that such new catalyst with unprecedented catalytic performance could open new era in the field of heterogeneous catalysis where traditional supports show their limitations to operate catalytic processes under severe reaction conditions.展开更多
Non-adiabatic dynamical calculations are carried out for the Na(3 p)+HD(ν = 1, j = 0)→NaH/NaD+D/H reaction on the diabatic potential energy surfaces of Wang et al.(Sci. Rep. 2018, 8, 17960) by using the time-depende...Non-adiabatic dynamical calculations are carried out for the Na(3 p)+HD(ν = 1, j = 0)→NaH/NaD+D/H reaction on the diabatic potential energy surfaces of Wang et al.(Sci. Rep. 2018, 8, 17960) by using the time-dependent wave packet method. The state-to-state integral cross sections and differential cross sections of two reaction channels(NaH/NaD+D/H)are calculated for collision energy up to 0.4 eV. The cross section branching ratio indicates that the dominant reaction channel changes from NaD+H to NaH+D when the collision energy is larger than 0.227 eV. The products from two reaction channels both prefer to form in vibrationally cold but rotationally hot states, and they both tend to forward scattering.展开更多
Understanding the excited state dynamics of donor-acceptor(D-A)complexes is of fundamental importance both experimentally and theoretically.Herein,we have first explored the photoinduced dynamics of a recently synthes...Understanding the excited state dynamics of donor-acceptor(D-A)complexes is of fundamental importance both experimentally and theoretically.Herein,we have first explored the photoinduced dynamics of a recently synthesized paddle-wheel BODIPY-hexaoxatriphenylene(BODIPY is the abbreviation for BF_(2)-chelated dipyrromethenes)conjugates D-A complexes with the combination of both electronic structure calculations and nonadiabatic dynamics simulations.On the basis of computational results,we concluded that the BODIPY-hexaoxatriphenylene(BH)conjugates will be promoted to the local excited(LE)states of the BODIPY fragments upon excitation,which is followed by the ultrafast exciton transfer from LE state to charge transfer(CT).Instead of the photoinduced electron transfer process proposed in previous experimental work,such a exciton transfer process is accompanied with the photoinduced hole transfer from BODIPY to hexaoxatriphenylene.Additionally,solvent effects are found to play an important role in the photoinduced dynamics.Specifically,the hole transfer dynamics is accelerated by the acetonitrile solvent,which can be ascribed to significant influences of the solvents on the charge transfer states,i.e.the energy gaps between LE and CT excitons are reduced greatly and the non-adiabatic couplings are increased in the meantime.Our present work not only provides valuable insights into the underlying photoinduced mechanism of BH,but also can be helpful for the future design of novel donor-acceptor conjugates with better optoelectronic performance.展开更多
The sensory perception of food is a dynamic process,which is closely related to the release of flavor substances during oral processing.It’s not only affected by the food material,but also subjected to the individual...The sensory perception of food is a dynamic process,which is closely related to the release of flavor substances during oral processing.It’s not only affected by the food material,but also subjected to the individual oral environment.To explore the oral processing characteristics of soft-boiled chicken,the sensory properties,texture,particle size,viscosity,characteristic values of electronic nose and tongue of different chicken samples were investigated.The correlation analysis showed that the physical characteristics especially the cohesiveness,springiness,resilience of the sample determined oral processing behavior.The addition of chicken skin played a role in lubrication during oral processing.The particle size of the bolus was heightened at the early stage,and the fluidity was enhanced in the end,which reduced the chewing time to the swallowing point and raised the aromatic compounds signal of electronic nose.But the effect of chicken skin on chicken thigh with relatively high fat content,was opposite in electronic nose,which had a certain masking effect on the perception of umami and sweet taste.In conclusion,fat played a critical role in chicken oral processing and chicken thigh had obvious advantages in comprehensive evaluation of soft-boiled chicken,which was more popular among people.展开更多
The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simples...The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simplest-level electron nuclear dynamics(SLEND)method.SLEND describes nuclei via classical mechanics and electrons with a singledeterminantal Thouless wavefunction.The 3402 SLEND conducted simulations from 42 independent CO2 target orientations provide a full description of all the reactive processes and their mechanisms in this system:non-charge-transfer scattering(NCTS),charge-transfer scattering(CTS),and single C=O bond dissociation;all this valuable information about reactivity is not accessible experimentally.Numerous details of the projectile scattering patterns are provided,including the appearance and coalescence of primary and secondary rainbow angles as a function of the target orientation.SLEND NCTS and CTS differential cross sections(DCSs)are evaluated in conjunction with advanced semi-classical techniques.SLEND NCTS DCS agrees well with its experimental counterpart at all the measured scattering angles,whereas SLEND CTS DCS agrees well at high scattering angles but less satisfactorily at lower ones.Remarkably,both NCTS and CTS SLEND DCSs predict the primary rainbow angle signatures in agreement with the experiment.展开更多
Gas hydrate drilling expeditions in the Pearl River Mouth Basin,South China Sea,have identified concentrated gas hydrates with variable thickness.Moreover,free gas and the coexistence of gas hydrate and free gas have ...Gas hydrate drilling expeditions in the Pearl River Mouth Basin,South China Sea,have identified concentrated gas hydrates with variable thickness.Moreover,free gas and the coexistence of gas hydrate and free gas have been confirmed by logging,coring,and production tests in the foraminifera-rich silty sediments with complex bottom-simulating reflectors(BSRs).The broad-band processing is conducted on conventional three-dimensional(3D)seismic data to improve the image and detection accuracy of gas hydratebearing layers and delineate the saturation and thickness of gas hydrate-and free gas-bearing sediments.Several geophysical attributes extracted along the base of the gas hydrate stability zone are used to demonstrate the variable distribution and the controlling factors for the differential enrichment of gas hydrate.The inverted gas hydrate saturation at the production zone is over 40% with a thickness of 90 m,showing the interbedded distribution with different boundaries between gas hydrate-and free gas-bearing layers.However,the gas hydrate saturation value at the adjacent canyon is 70%,with 30-m-thick patches and linear features.The lithological and fault controls on gas hydrate and free gas distributions are demonstrated by tracing each gas hydrate-bearing layer.Moreover,the BSR depths based on broad-band reprocessed 3D seismic data not only exhibit variations due to small-scale topographic changes caused by seafloor sedimentation and erosion but also show the upward shift of BSR and the blocky distribution of the coexistence of gas hydrate and free gas in the Pearl River Mouth Basin.展开更多
The current methods used to industrially produce sinomenine hydrochloride involve several issues,including high solvent toxicity,long process flow,and low atomic utilization efficiency,and the greenness scores of the ...The current methods used to industrially produce sinomenine hydrochloride involve several issues,including high solvent toxicity,long process flow,and low atomic utilization efficiency,and the greenness scores of the processes are below 65 points.To solve these problems,a new process using anisole as the extractant was proposed.Anisole exhibits high selectivity for sinomenine and can be connected to the subsequent water-washing steps.After alkalization of the medicinal material,heating extraction,water washing,and acidification crystallization were carried out.The process was modeled and optimized.The design space was constructed.The recommended operating ranges for the critical process parameters were 3.0–4.0 h for alkalization time,60.0–80.0℃ for extraction temperature,2.0–3.0(volume ratio)for washing solution amount,and 2.0–2.4 mol·L^(-1) for hydrochloric acid concentration.The new process shows good robustness because different batches of medicinal materials did not greatly impact crystal purity or sinomenine transfer rate.The sinomenine transfer rate was about 20%higher than that of industrial processes.The greenness score increased to 90 points since the novel process proposed in this research solves the problems of long process flow,high solvent toxicity,and poor atomic economy,better aligning with the concept of green chemistry.展开更多
Recently,the increasing interest in wearable technology for personal healthcare and smart virtual/augmented reality applications has led to the development of facile fabrication methods.Lasers have long been used to d...Recently,the increasing interest in wearable technology for personal healthcare and smart virtual/augmented reality applications has led to the development of facile fabrication methods.Lasers have long been used to develop original solutions to such challenging technological problems due to their remote,sterile,rapid,and site-selective processing of materials.In this review,recent developments in relevant laser processes are summarized under two separate categories.First,transformative approaches,such as for laser-induced graphene,are introduced.In addition to design optimization and the alteration of a native substrate,the latest advances under a transformative approach now enable more complex material compositions and multilayer device configurations through the simultaneous transformation of heterogeneous precursors,or the sequential addition of functional layers coupled with other electronic elements.In addition,the more conventional laser techniques,such as ablation,sintering,and synthesis,can still be used to enhance the functionality of an entire system through the expansion of applicable materials and the adoption of new mechanisms.Later,various wearable device components developed through the corresponding laser processes are discussed,with an emphasis on chemical/physical sensors and energy devices.In addition,special attention is given to applications that use multiple laser sources or processes,which lay the foundation for the all-laser fabrication of wearable devices.展开更多
The emergence of polymerized small molecule acceptors(PSMAs)has significantly improved the performance of all-polymer solar cells(all-PSCs).However,the pace of device engineering lacks behind that of materials develop...The emergence of polymerized small molecule acceptors(PSMAs)has significantly improved the performance of all-polymer solar cells(all-PSCs).However,the pace of device engineering lacks behind that of materials development,so that a majority of the PSMAs have not fulfilled their potentials.Furthermore,most high-performance all-PSCs rely on the use of chloroform as the processing solvent.For instance,the recent highperformance PSMA,named PJ1-γ,with high LUMO,and HOMO levels,could only achieve a PCE of 16.1%with a high-energy-level donor(JD40)using chloroform.Herein,we present a methodology combining sequential processing(SqP)with the addition of 0.5%wt PC_(71)BM as a solid additive(SA)to achieve an impressive efficiency of 18.0%for all-PSCs processed from toluene,an aromatic hydrocarbon solvent.Compared to the conventional blend-casting(BC)method whose best efficiency(16.7%)could only be achieved using chloroform,the SqP method significantly boosted the device efficiency using toluene as the processing solvent.In addition,the donor we employ is the classic PM6 that has deeper energy levels than JD40,which provides low energy loss for the device.We compare the results with another PSMA(PYF-T-o)with the same method.Finally,an improved photostability of the SqP devices with the incorporation of SA is demonstrated.展开更多
Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches...Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches with excellent performance are widely used for FDD in chemical processes.However,improved predictive accuracy has often been achieved through increased model complexity,which turns models into black-box methods and causes uncertainty regarding their decisions.In this study,a causal temporal graph attention network(CTGAN)is proposed for fault diagnosis of chemical processes.A chemical causal graph is built by causal inference to represent the propagation path of faults.The attention mechanism and chemical causal graph were combined to help us notice the key variables relating to fault fluctuations.Experiments in the Tennessee Eastman(TE)process and the green ammonia(GA)process showed that CTGAN achieved high performance and good explainability.展开更多
基金funded by CONAHCYT grant(252808)to GFCONAHCYT’s“Estancias Posdoctorales por México”program(662350)to HTB。
文摘Recent reports suggest that aging is not solely a physiological process in living beings;instead, it should be considered a pathological process or disease(Amorim et al., 2022). Consequently, this process involves a wide range of factors, spanning from genetic to environmental factors, and even includes the gut microbiome(GM)(Mayer et al., 2022). All these processes coincide at some point in the inflammatory process, oxidative stress, and apoptosis, at different degrees in various organs and systems that constitute a living organism(Mayer et al., 2022;AguilarHernández et al., 2023).
基金supported by the General Program of the National Natural Science Foundation of China(No.52274326)the China Baowu Low Carbon Metallurgy Innovation Foundation(No.BWLCF202109)the Seventh Batch of Ten Thousand Talents Plan of China(No.ZX20220553).
文摘Sinter is the core raw material for blast furnaces.Flue pressure,which is an important state parameter,affects sinter quality.In this paper,flue pressure prediction and optimization were studied based on the shapley additive explanation(SHAP)to predict the flue pressure and take targeted adjustment measures.First,the sintering process data were collected and processed.A flue pressure prediction model was then constructed after comparing different feature selection methods and model algorithms using SHAP+extremely random-ized trees(ET).The prediction accuracy of the model within the error range of±0.25 kPa was 92.63%.SHAP analysis was employed to improve the interpretability of the prediction model.The effects of various sintering operation parameters on flue pressure,the relation-ship between the numerical range of key operation parameters and flue pressure,the effect of operation parameter combinations on flue pressure,and the prediction process of the flue pressure prediction model on a single sample were analyzed.A flue pressure optimization module was also constructed and analyzed when the prediction satisfied the judgment conditions.The operating parameter combination was then pushed.The flue pressure was increased by 5.87%during the verification process,achieving a good optimization effect.
基金Technology Development Program of Jilin Province(YDZJ202201ZYTS640)the National Key Research and Development Program of China(2022YFB4200400)funded by MOST+4 种基金the National Natural Science Foundation of China(52172048 and 52103221)Shandong Provincial Natural Science Foundation(ZR2021QB024 and ZR2021ZD06)Guangdong Basic and Applied Basic Research Foundation(2023A1515012323,2023A1515010943,and 2024A1515010023)the Qingdao New Energy Shandong Laboratory open Project(QNESL OP 202309)the Fundamental Research Funds of Shandong University.
文摘Recently published in Joule,Feng Liu and colleagues from Shanghai Jiaotong University reported a record-breaking 20.8%power conversion efficiency in organic solar cells(OSCs)with an interpenetrating fibril network active layer morphology,featuring a bulk p-in structure and proper vertical segregation achieved through additive-assisted layer-by-layer deposition.This optimized hierarchical gradient fibrillar morphology and optical management synergistically facilitates exciton diffusion,reduces recombination losses,and enhances light capture capability.This approach not only offers a solution to achieving high-efficiency devices but also demonstrates the potential for commercial applications of OSCs.
基金supported by the National Natural Science Foundation of China(No.51805265)the Fundamental Research Funds for the Central Universities,China(No.30922010921).
文摘Thin walls of an AZ91 magnesium alloy with fine equiaxed grains were fabricated via cold arc-based wire arc additive manufacturing(CA-WAAM),and the droplet transfer behaviours,microstructures,and mechanical properties were investigated.The results showed that the cold arc process reduced splashing at the moment of liquid bridge breakage and effectively shortened the droplet transfer period.The microstructures of the deposited samples exhibited layered characteristics with alternating distributions of coarse and fine grains.During layer-by-layer deposition,the β-phase precipitated and grew preferentially along grain boundaries,while the fineη-Al_(8)Mn_(5)phase was dispersed in the α-Mg matrix.The mechanical properties of the CA-WAAM deposited sample showed isotropic characteristics.The ultimate tensile strength and elongation in the building direction(BD)were 282.7 MPa and 14.2%,respectively.The microhardness values of the deposited parts were relatively uniform,with an average value of HV 69.6.
基金financially supported by the National Natural Science Foundation of China(Grant Nos.U22A20602,U2040221,and 42207228)the Sichuan Science and Technology Program(2022NSFSC1060)the Fundamental Research Funds for Central Public Research Institutes(Grant No.Y324006)。
文摘Landslide dams,as frequent natural hazards,pose significant risks to human lives,property,and ecological environments.The grading characteristics and density of dam materials play a crucial role in determining the stability of landslide dams and the potential for dam breaches.To explore the failure mechanisms and evolutionary processes of landslide dams with varying soil properties,this study conducted a series of flume experiments,considering different grain compositions and material densities.The results demonstrated that grading characteristics significantly influence landslide dam stability,affecting failure patterns,breach processes,and final breach morphologies.Fine-graded materials exhibited a sequence of surface erosion,head-cut erosion,and subsequent surface erosion during the breach process,while well-graded materials typically experienced head-cut erosion followed by surface erosion.In coarse-graded dams,the high permeability of coarse particles allowed the dam to remain stable,as inflows matched outflows.The dam breach model experiments also showed that increasing material density effectively delayed the breach and reduced peak breach flow discharge.Furthermore,higher fine particle content led to a reduction in the residual dam height and the base slope of the final breach profile,although the relationship between peak breach discharge and the content of fine and coarse particles was nonlinear.To better understand breach morphology evolution under different soil characteristics and hydraulic conditions,three key points were identified—erosion point,control point,and scouring point.This study,by examining the evolution of failure patterns,breach processes,and breach flow discharges under various grading and density conditions,offers valuable insights into the mechanisms behind landslide dam failures.
基金financially supported by the National Natural Science Foundation of China(Grant No.52079150)Science and Technology Major Project of the Xizang Autonomous Region of China(XZ202201ZD0003G)Water Conservancy Technology Demonstration Project(SF-202404).
文摘This study aims to enhance the digital drilling process monitoring(DPM)or monitoring while drilling(MWD)technique,which is a widely recognized method in geological exploration for evaluating rock mass quality.First,robust displacement and torque measurement facilities for rotary-core drilling are discussed.The conventional cable encoder for displacement measurement is replaced with a magnetostrictive displacement sensor,which is more reliable in harsh field drilling environments.This enables the measurement of the bit position with an accuracy of<1 mm.Most importantly,this new instrument is proven to be successful in improving the detection of structural discontinuities with thicknesses>1 mm.In addition,by measuring the electric current of the driving motor,the torque applied to the bit is conveniently and accurately converted.These innovations ensure high-quality data collection for DPM practices.Second,two indices derived from DPM are proposed to quantitatively describe rock mass quality.The specific energy index(SEI)and specific penetration index(SPI)are based on the principles of energy conservation and Mohr-Coulomb failure criterion,respectively.Extensive field tests conducted in a dam grouting area confirm a linear relationship between the thrust force and penetration per rotation,and between the torque and penetration per rotation.The correlation ratios of the related regressions are typically>0.9.These two indices allow for the quantitative interpretation of DPM data into rock mechanics characteristics,such as uniaxial compressive strength,rock quality designation(RQD),and rock mass permeability,eliminating the need for subjective judgment normally involved in the currently used rock mass quality rating approaches.
基金supported by the National Key R&D Program of China(No.2017YFB0203405)the National Natural Science Foundation of China(No.21421003)
文摘Electronically non-adiabatic processes are essential parts of photochemical process, collisions of excited species, electron transfer processes, and quantum information processing. Various non-adiabatic dynamics methods and their numerical implementation have been developed in the last decades. This review summarizes the most significant development of mixed quantum-classical methods and their applications which mainly include the Liouville equa- tion, Ehrenfest mean-field, trajectory surface hopping, and multiple spawning methods. The recently developed quantum trajectory mean-field method that accounts for the decoherence corrections in a parameter-free fashion is discussed in more detail.
基金supported by the National Natural Foundation of China (Grant Nos 10475066 and 10347006)
文摘This paper investigates the propagation of linear dust acoustic waves in inhomogeneous dusty plasmas due to spatial gradients of dust charge, plasma densities. A linear dispersion relation is obtained with the non-adiabatic dust charge iguctuation and the non-thermally distributed ions. The numerical results show that the inhomogeneity, nonthermal ions and non-adlabatic dust charge iguctuatlon have strong iniguence on the frequency and the damping rate of waves.
基金ORANO Chimie-Enrichissement Co.for the financial support of this project。
文摘Undoped nickel-based catalysts supported on depleted uranium oxide allow one to carry out CO_(2)methanation process under extremely low reaction temperature under atmospheric pressure and powered by a contactless induction heating.By adjusting the reaction conditions,the catalyst is able to perform CO_(2)methanation reaction under autothermal process operated inside a non-adiabatic reactor,without any external energy supply.Such autothermal process is possible thanks to the high apparent density of the UO_x which allows one to confine the reaction heat in a small catalyst volume in order to confine the exothermicity of the reaction inside the catalyst and to operate the reaction at equilibrium heat in-heat out.Such autothermal operation mode allows one to significantly reduce the complexity of the process compared to that operated using adiabatic reactor,where complete insulation is required to prevent heat disequilibrium,in order to reduce as much as possible,the heat exchange with the external medium.The catalyst displays an extremely high stability as a function of time on stream as no apparent deactivation.It is expected that such new catalyst with unprecedented catalytic performance could open new era in the field of heterogeneous catalysis where traditional supports show their limitations to operate catalytic processes under severe reaction conditions.
基金Project supported by the National Natural Science Foundation of China(Grant No.11774043)
文摘Non-adiabatic dynamical calculations are carried out for the Na(3 p)+HD(ν = 1, j = 0)→NaH/NaD+D/H reaction on the diabatic potential energy surfaces of Wang et al.(Sci. Rep. 2018, 8, 17960) by using the time-dependent wave packet method. The state-to-state integral cross sections and differential cross sections of two reaction channels(NaH/NaD+D/H)are calculated for collision energy up to 0.4 eV. The cross section branching ratio indicates that the dominant reaction channel changes from NaD+H to NaH+D when the collision energy is larger than 0.227 eV. The products from two reaction channels both prefer to form in vibrationally cold but rotationally hot states, and they both tend to forward scattering.
基金supported by the National Natural Science Foundation of China(No.22003043 for Xiang-Yang Liu)the National Natural Science Foundation of China(No.21688102,No.21590801,and No.21520102005 for Ganglong Cui)+1 种基金Sichuan Science and Technology Program(No.2020YJ0161 for Xiang-Yang Liu)the High Performance Computing Center of Sichuan Normal University。
文摘Understanding the excited state dynamics of donor-acceptor(D-A)complexes is of fundamental importance both experimentally and theoretically.Herein,we have first explored the photoinduced dynamics of a recently synthesized paddle-wheel BODIPY-hexaoxatriphenylene(BODIPY is the abbreviation for BF_(2)-chelated dipyrromethenes)conjugates D-A complexes with the combination of both electronic structure calculations and nonadiabatic dynamics simulations.On the basis of computational results,we concluded that the BODIPY-hexaoxatriphenylene(BH)conjugates will be promoted to the local excited(LE)states of the BODIPY fragments upon excitation,which is followed by the ultrafast exciton transfer from LE state to charge transfer(CT).Instead of the photoinduced electron transfer process proposed in previous experimental work,such a exciton transfer process is accompanied with the photoinduced hole transfer from BODIPY to hexaoxatriphenylene.Additionally,solvent effects are found to play an important role in the photoinduced dynamics.Specifically,the hole transfer dynamics is accelerated by the acetonitrile solvent,which can be ascribed to significant influences of the solvents on the charge transfer states,i.e.the energy gaps between LE and CT excitons are reduced greatly and the non-adiabatic couplings are increased in the meantime.Our present work not only provides valuable insights into the underlying photoinduced mechanism of BH,but also can be helpful for the future design of novel donor-acceptor conjugates with better optoelectronic performance.
基金supported by China Agriculture Research System of MOF and MARA(CARS-41)Wens Fifth Five R&D Major Project(WENS-2020-1-ZDZX-007)。
文摘The sensory perception of food is a dynamic process,which is closely related to the release of flavor substances during oral processing.It’s not only affected by the food material,but also subjected to the individual oral environment.To explore the oral processing characteristics of soft-boiled chicken,the sensory properties,texture,particle size,viscosity,characteristic values of electronic nose and tongue of different chicken samples were investigated.The correlation analysis showed that the physical characteristics especially the cohesiveness,springiness,resilience of the sample determined oral processing behavior.The addition of chicken skin played a role in lubrication during oral processing.The particle size of the bolus was heightened at the early stage,and the fluidity was enhanced in the end,which reduced the chewing time to the swallowing point and raised the aromatic compounds signal of electronic nose.But the effect of chicken skin on chicken thigh with relatively high fat content,was opposite in electronic nose,which had a certain masking effect on the perception of umami and sweet taste.In conclusion,fat played a critical role in chicken oral processing and chicken thigh had obvious advantages in comprehensive evaluation of soft-boiled chicken,which was more popular among people.
基金Present calculations were performed at the Texas Tech University High Performance Computer Center and the Texas Advanced Computing Center at the University of Texas at Austin.Prof.Morales acknowledges financial support from the Cancer Prevention and Research Institute of Texas(CPRIT)grant RP140478.Prof.Yan acknowledges the financial support from the National Natural Science Foundation of China(No.21373064)and the Program for Innovative Research Team of Guizhou Province(No.QKTD[2014]4021).
文摘The H^++CO2 reaction at high energies is relevant in atmospheric chemistry,astrophysics,and proton cancer therapy research.Therefore,we present herein a complete investigation of H^++CO2 at ELab=30 eV with the simplest-level electron nuclear dynamics(SLEND)method.SLEND describes nuclei via classical mechanics and electrons with a singledeterminantal Thouless wavefunction.The 3402 SLEND conducted simulations from 42 independent CO2 target orientations provide a full description of all the reactive processes and their mechanisms in this system:non-charge-transfer scattering(NCTS),charge-transfer scattering(CTS),and single C=O bond dissociation;all this valuable information about reactivity is not accessible experimentally.Numerous details of the projectile scattering patterns are provided,including the appearance and coalescence of primary and secondary rainbow angles as a function of the target orientation.SLEND NCTS and CTS differential cross sections(DCSs)are evaluated in conjunction with advanced semi-classical techniques.SLEND NCTS DCS agrees well with its experimental counterpart at all the measured scattering angles,whereas SLEND CTS DCS agrees well at high scattering angles but less satisfactorily at lower ones.Remarkably,both NCTS and CTS SLEND DCSs predict the primary rainbow angle signatures in agreement with the experiment.
基金supported by the State Key Laboratory of Natural Gas Hydrate(No.2022-KFJJ-SHW)the National Natural Science Foundation of China(No.42376058)+2 种基金the International Science&Technology Cooperation Program of China(No.2023YFE0119900)the Hainan Province Key Research and Development Project(No.ZDYF2024GXJS002)the Research Start-Up Funds of Zhufeng Scholars Program.
文摘Gas hydrate drilling expeditions in the Pearl River Mouth Basin,South China Sea,have identified concentrated gas hydrates with variable thickness.Moreover,free gas and the coexistence of gas hydrate and free gas have been confirmed by logging,coring,and production tests in the foraminifera-rich silty sediments with complex bottom-simulating reflectors(BSRs).The broad-band processing is conducted on conventional three-dimensional(3D)seismic data to improve the image and detection accuracy of gas hydratebearing layers and delineate the saturation and thickness of gas hydrate-and free gas-bearing sediments.Several geophysical attributes extracted along the base of the gas hydrate stability zone are used to demonstrate the variable distribution and the controlling factors for the differential enrichment of gas hydrate.The inverted gas hydrate saturation at the production zone is over 40% with a thickness of 90 m,showing the interbedded distribution with different boundaries between gas hydrate-and free gas-bearing layers.However,the gas hydrate saturation value at the adjacent canyon is 70%,with 30-m-thick patches and linear features.The lithological and fault controls on gas hydrate and free gas distributions are demonstrated by tracing each gas hydrate-bearing layer.Moreover,the BSR depths based on broad-band reprocessed 3D seismic data not only exhibit variations due to small-scale topographic changes caused by seafloor sedimentation and erosion but also show the upward shift of BSR and the blocky distribution of the coexistence of gas hydrate and free gas in the Pearl River Mouth Basin.
基金supported by the Innovation Team and Talents Cultivation Program of the National Administration of Traditional Chinese Medicine(ZYYCXTD-D-202002)the Fundamental Research Funds for the Central Universities(226-2022-00226).
文摘The current methods used to industrially produce sinomenine hydrochloride involve several issues,including high solvent toxicity,long process flow,and low atomic utilization efficiency,and the greenness scores of the processes are below 65 points.To solve these problems,a new process using anisole as the extractant was proposed.Anisole exhibits high selectivity for sinomenine and can be connected to the subsequent water-washing steps.After alkalization of the medicinal material,heating extraction,water washing,and acidification crystallization were carried out.The process was modeled and optimized.The design space was constructed.The recommended operating ranges for the critical process parameters were 3.0–4.0 h for alkalization time,60.0–80.0℃ for extraction temperature,2.0–3.0(volume ratio)for washing solution amount,and 2.0–2.4 mol·L^(-1) for hydrochloric acid concentration.The new process shows good robustness because different batches of medicinal materials did not greatly impact crystal purity or sinomenine transfer rate.The sinomenine transfer rate was about 20%higher than that of industrial processes.The greenness score increased to 90 points since the novel process proposed in this research solves the problems of long process flow,high solvent toxicity,and poor atomic economy,better aligning with the concept of green chemistry.
基金supported by the Basic Research Program through the National Research Foundation of Korea(NRF)(Nos.2022R1C1C1006593,2022R1A4A3031263,and RS-2023-00271166)the National Science Foundation(Nos.2054098 and 2213693)+1 种基金the National Natural Science Foundation of China(No.52105593)Zhejiang Provincial Natural Science Foundation of China(No.LDQ24E050001).EH acknowledges a fellowship from the Hyundai Motor Chung Mong-Koo Foundation.
文摘Recently,the increasing interest in wearable technology for personal healthcare and smart virtual/augmented reality applications has led to the development of facile fabrication methods.Lasers have long been used to develop original solutions to such challenging technological problems due to their remote,sterile,rapid,and site-selective processing of materials.In this review,recent developments in relevant laser processes are summarized under two separate categories.First,transformative approaches,such as for laser-induced graphene,are introduced.In addition to design optimization and the alteration of a native substrate,the latest advances under a transformative approach now enable more complex material compositions and multilayer device configurations through the simultaneous transformation of heterogeneous precursors,or the sequential addition of functional layers coupled with other electronic elements.In addition,the more conventional laser techniques,such as ablation,sintering,and synthesis,can still be used to enhance the functionality of an entire system through the expansion of applicable materials and the adoption of new mechanisms.Later,various wearable device components developed through the corresponding laser processes are discussed,with an emphasis on chemical/physical sensors and energy devices.In addition,special attention is given to applications that use multiple laser sources or processes,which lay the foundation for the all-laser fabrication of wearable devices.
基金supported by the Guangdong Basic and Applied Basic Research Foundation(2022A1515010875)Guangdong Basic and Applied Basic Research Foundation(2021A1515110017)+10 种基金Natural Science Foundation of Top Talent of SZTU(grant no.20200205)Project of Education Commission of Guangdong Province of China(2021KQNCX080)Research on the electrochemical reaction mechanism of the anode of mediumlow temperature direct ammonia SOFCs(20231063020006)the project of al solid-state high energy density energy storage system(20221063010031)the project of Shenzhen Overseas Talent upon Industrialization of 1kw stack for direct ammonia SOFCs(20221061010002)Guangdong Basic and Applied Basic Research Foundation(No.2019A1515011673)Education Department of Guangdong Province(No.2021KCXTD045)National Natural Science Foundation of China(No.12274303)the support from the Fundamental Research Funds for the Central Universities(2232023A-01)NSFC No.52103202beamline BL16B1 at Shanghai Synchrotron Radiation Facility(SSRF)for the synchrotron experiment
文摘The emergence of polymerized small molecule acceptors(PSMAs)has significantly improved the performance of all-polymer solar cells(all-PSCs).However,the pace of device engineering lacks behind that of materials development,so that a majority of the PSMAs have not fulfilled their potentials.Furthermore,most high-performance all-PSCs rely on the use of chloroform as the processing solvent.For instance,the recent highperformance PSMA,named PJ1-γ,with high LUMO,and HOMO levels,could only achieve a PCE of 16.1%with a high-energy-level donor(JD40)using chloroform.Herein,we present a methodology combining sequential processing(SqP)with the addition of 0.5%wt PC_(71)BM as a solid additive(SA)to achieve an impressive efficiency of 18.0%for all-PSCs processed from toluene,an aromatic hydrocarbon solvent.Compared to the conventional blend-casting(BC)method whose best efficiency(16.7%)could only be achieved using chloroform,the SqP method significantly boosted the device efficiency using toluene as the processing solvent.In addition,the donor we employ is the classic PM6 that has deeper energy levels than JD40,which provides low energy loss for the device.We compare the results with another PSMA(PYF-T-o)with the same method.Finally,an improved photostability of the SqP devices with the incorporation of SA is demonstrated.
基金support of the National Key Research and Development Program of China(2021YFB4000505).
文摘Fault detection and diagnosis(FDD)plays a significant role in ensuring the safety and stability of chemical processes.With the development of artificial intelligence(AI)and big data technologies,data-driven approaches with excellent performance are widely used for FDD in chemical processes.However,improved predictive accuracy has often been achieved through increased model complexity,which turns models into black-box methods and causes uncertainty regarding their decisions.In this study,a causal temporal graph attention network(CTGAN)is proposed for fault diagnosis of chemical processes.A chemical causal graph is built by causal inference to represent the propagation path of faults.The attention mechanism and chemical causal graph were combined to help us notice the key variables relating to fault fluctuations.Experiments in the Tennessee Eastman(TE)process and the green ammonia(GA)process showed that CTGAN achieved high performance and good explainability.