As an independent thermodynamic parameter,pressure significantly influences interatomic distances,leading to an increase in material density.In this work,we employ the CALYPSO structure search and density functional t...As an independent thermodynamic parameter,pressure significantly influences interatomic distances,leading to an increase in material density.In this work,we employ the CALYPSO structure search and density functional theory calculations to explore the structural phase transitions and electronic properties of calcium-sulfur compounds(Ca_(x)S_(1-x),where x=1/4,1/3,1/2,2/3,3/4,4/5)under 0-1200 GPa.The calculated formation enthalpies suggest that Ca_(x)S_(1-x)compounds undergo multiple phase transitions and eventually decompose into elemental Ca and S,challenging the traditional view that pressure stabilizes and densifies compounds.The analysis of formation enthalpy indicates that an increase in pressure leads to a rise in internal energy and the PV term,resulting in thermodynamic instability.Bader charge analysis reveals that this phenomenon is attributed to a decrease in charge transfer under high pressure.The activation of Ca-3d orbitals is significantly enhanced under pressure,leading to competition with Ca-4s orbitals and S-3p orbitals.This may cause the formation enthalpy minimum on the convex hull to shift sequentially from CaS to CaS3,then to Ca_(3)S and Ca_(2)S,and finally back to CaS.These findings provide critical insights into the behavior of alkaline-earth metal sulfides under high pressure,with implications for the synthesis and application of novel materials under extreme conditions and for understanding element distribution in planetary interiors.展开更多
Flammable ionic liquids exhibit high conductivity and a broad electrochemical window,enabling the generation of combustible gases for combustion via electrochemical decomposition and thermal decomposition.This charact...Flammable ionic liquids exhibit high conductivity and a broad electrochemical window,enabling the generation of combustible gases for combustion via electrochemical decomposition and thermal decomposition.This characteristic holds significant implications in the realm of novel satellite propulsion.Introducing a fraction of the electrical energy into energetic ionic liquid fuels,the thermal decomposition process is facilitated by reducing the apparent activation energy required,and electrical energy can trigger the electrochemical decomposition of ionic liquids,presenting a promising approach to enhance combustion efficiency and energy release.This study applied an external voltage during the thermal decomposition of 1-ethyl-3-methylimidazole nitrate([EMIm]NO_(3)),revealing the effective alteration of the activation energy of[EMIm]NO_(3).The pyrolysis,electrochemical decomposition,and electron assisted enhancement products were identified through Thermogravimetry-Differential scanning calorimetry-Fourier transform infrared-Mass spectrometry(TG-DSC-FTIR-MS)and gas chromatography(GC)analyses,elucidating the degradation mechanism of[EMIm]NO_(3).Furthermore,an external voltage was introduced during the combustion of[EMIm]NO_(3),demonstrating the impact of voltage on the combustion process.展开更多
The remarkable properties of carbon nanotubes(CNTs)have led to promising applications in the field of electromagnetic inter-ference(EMI)shielding.However,for macroscopic CNT assemblies,such as CNT film,achieving high ...The remarkable properties of carbon nanotubes(CNTs)have led to promising applications in the field of electromagnetic inter-ference(EMI)shielding.However,for macroscopic CNT assemblies,such as CNT film,achieving high electrical and mechanical properties remains challenging,which heavily depends on the tube-tube interac-tions of CNTs.Herein,we develop a novel strategy based on metal-organic decomposition(MOD)to fabricate a flexible silver-carbon nanotube(Ag-CNT)film.The Ag particles are introduced in situ into the CNT film through annealing of MOD,leading to enhanced tube-tube interactions.As a result,the electrical conductivity of Ag-CNT film is up to 6.82×10^(5) S m^(-1),and the EMI shielding effectiveness of Ag-CNT film with a thickness of~7.8μm exceeds 66 dB in the ultra-broad frequency range(3-40 GHz).The tensile strength and Young’s modulus of Ag-CNT film increase from 30.09±3.14 to 76.06±6.20 MPa(~253%)and from 1.12±0.33 to 8.90±0.97 GPa(~795%),respectively.Moreover,the Ag-CNT film exhibits excellent near-field shield-ing performance,which can effectively block wireless transmission.This innovative approach provides an effective route to further apply macroscopic CNT assemblies to future portable and wearable electronic devices.展开更多
Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular...Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular perovskite-based material DAP-4 was studied.Biomass porous carbonaceous materials was considered as the micro/nano support layers for in situ deposition of Fe/N precursors.Fe/Np Carbon was prepared simply by the high-temperature carbonization method.It was found that it showed the inherent catalysis properties for thermal decomposition of DAP-4.The heat release of DAP-4/Fe/N-p Carbon by DSC curves tested had increased slightly,compared from DAP-4/Fe/N-p Carbon-0.The decomposition temperature peak of DAP-4 at the presence of Fe/N-p Carbon had reduced by 79°C from384.4°C(pure DAP-4) to 305.4°C(DAP-4/Fe/N-p Carbon-3).The apparent activation energy of DAP-4thermal decomposition also had decreased by 29.1 J/mol.The possible catalytic decomposition mechanism of DAP-4 with Fe/N-p Carbon was proposed.展开更多
2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigat...2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.展开更多
A modified multiple-component scattering power decomposition for analyzing polarimetric synthetic aperture radar(PolSAR)data is proposed.The modified decomposition involves two distinct steps.Firstly,ei⁃genvectors of ...A modified multiple-component scattering power decomposition for analyzing polarimetric synthetic aperture radar(PolSAR)data is proposed.The modified decomposition involves two distinct steps.Firstly,ei⁃genvectors of the coherency matrix are used to modify the scattering models.Secondly,the entropy and anisotro⁃py of targets are used to improve the volume scattering power.With the guarantee of high double-bounce scatter⁃ing power in the urban areas,the proposed algorithm effectively improves the volume scattering power of vegeta⁃tion areas.The efficacy of the modified multiple-component scattering power decomposition is validated using ac⁃tual AIRSAR PolSAR data.The scattering power obtained through decomposing the original coherency matrix and the coherency matrix after orientation angle compensation is compared with three algorithms.Results from the experiment demonstrate that the proposed decomposition yields more effective scattering power for different PolSAR data sets.展开更多
Ammonia decomposition is a key reaction in the context of hydrogen storage, transport, and release. This study combines density functional theory(DFT) calculations with microkinetic modeling to address the promotion m...Ammonia decomposition is a key reaction in the context of hydrogen storage, transport, and release. This study combines density functional theory(DFT) calculations with microkinetic modeling to address the promotion mechanism of Ba species for ammonia decomposition on Co catalysts. The modified adsorption properties of Co upon the addition of metallic Ba or BaO suggest that the promoters play a role in alleviating the competitive adsorption of H. Calculating the full reaction pathway of ammonia decomposition shows that limiting the investigation to the N–N association step, as done previously, overlooks the effect of the promoter on the energy barriers of the NHxdehydrogenation steps. Challenges of modeling the ammonia decomposition reaction are addressed by understanding that the NH_(2) intermediate is stabilized on the step sites rather than the terrace sites. When the effect of H-coverage on the adsorption of NH_(3) is not considered in the microkinetic simulations, the results conflict with the experiments.However, accounting for the effect of H-coverage, as performed here, shows that BaO-doped Co has higher rates than pristine Co and Ba-doped Co at the reaction temperature of 723.15 K. When H is adsorbed on the Ba-doped Co, the adsorption of ammonia becomes significantly endergonic, which makes the rates relatively slow. The superiority of the BaO-promoted catalyst is attributed to a lower energy for the transition state of the rate-determining step, coupled with a reduced impact of the hydrogen coverage on weakening the ammonia adsorption. The kinetic analysis of the influence of Ba and BaO on the Co surface shows that BaO-doped Co aligns more closely with experimental observations than Badoped Co. This implies that Ba on the Co surface is likely to be in an oxide form under reaction conditions.Understanding the kinetics of the ammonia decomposition reaction provides a foundation for developing highly effective catalysts to accelerate the industrial utilization of ammonia as a sustainable hydrogen carrier.展开更多
In a“low-carbon”context,the power load is affected by the coupling of multiple factors,which gradually evolves from the traditional“pure load”to the generalized load with the dual characteristics of“load+power su...In a“low-carbon”context,the power load is affected by the coupling of multiple factors,which gradually evolves from the traditional“pure load”to the generalized load with the dual characteristics of“load+power supply.”Traditional time-series forecasting methods are no longer suitable owing to the complexity and uncertainty associated with generalized loads.From the perspective of image processing,this study proposes a graphical short-term prediction method for generalized loads based on modal decomposition.First,the datasets are normalized and feature-filtered by comparing the results of Xtreme gradient boosting,gradient boosted decision tree,and random forest algorithms.Subsequently,the generalized load data are decomposed into three sets of modalities by modal decomposition,and red,green,and blue(RGB)images are generated using them as the pixel values of the R,G,and B channels.The generated images are diversified,and an optimized DenseNet neural network was used for training and prediction.Finally,the base load,wind power,and photovoltaic power generation data are selected,and the characteristic curves of the generalized load scenarios under different permeabilities of wind power and photovoltaic power generation are obtained using the density-based spatial clustering of applications with noise algorithm.Based on the proposed graphical forecasting method,the feasibility of the generalized load graphical forecasting method is verified by comparing it with the traditional time-series forecasting method.展开更多
Real and complex Schur forms have been receiving increasing attention from the fluid mechanics community recently,especially related to vortices and turbulence.Several decompositions of the velocity gradient tensor,su...Real and complex Schur forms have been receiving increasing attention from the fluid mechanics community recently,especially related to vortices and turbulence.Several decompositions of the velocity gradient tensor,such as the triple decomposition of motion(TDM)and normal-nilpotent decomposition(NND),have been proposed to analyze the local motions of fluid elements.However,due to the existence of different types and non-uniqueness of Schur forms,as well as various possible definitions of NNDs,confusion has spread widely and is harming the research.This work aims to clean up this confusion.To this end,the complex and real Schur forms are derived constructively from the very basics,with special consideration for their non-uniqueness.Conditions of uniqueness are proposed.After a general discussion of normality and nilpotency,a complex NND and several real NNDs as well as normal-nonnormal decompositions are constructed,with a brief comparison of complex and real decompositions.Based on that,several confusing points are clarified,such as the distinction between NND and TDM,and the intrinsic gap between complex and real NNDs.Besides,the author proposes to extend the real block Schur form and its corresponding NNDs for the complex eigenvalue case to the real eigenvalue case.But their justification is left to further investigations.展开更多
P-and S-wave separation plays an important role in elastic reverse-time migration.It can reduce the artifacts caused by crosstalk between different modes and improve image quality.In addition,P-and Swave separation ca...P-and S-wave separation plays an important role in elastic reverse-time migration.It can reduce the artifacts caused by crosstalk between different modes and improve image quality.In addition,P-and Swave separation can also be used to better understand and distinguish wave types in complex media.At present,the methods for separating wave modes in anisotropic media mainly include spatial nonstationary filtering,low-rank approximation,and vector Poisson equation.Most of these methods require multiple Fourier transforms or the calculation of large matrices,which require high computational costs for problems with large scale.In this paper,an efficient method is proposed to separate the wave mode for anisotropic media by using a scalar anisotropic Poisson operator in the spatial domain.For 2D problems,the computational complexity required by this method is 1/2 of the methods based on solving a vector Poisson equation.Therefore,compared with existing methods based on pseudoHelmholtz decomposition operators,this method can significantly reduce the computational cost.Numerical examples also show that the P and S waves decomposed by this method not only have the correct amplitude and phase relative to the input wavefield but also can reduce the computational complexity significantly.展开更多
Decaying wood is an essential element of forest ecosystems and it affects its other components.The aim of our research was to determine the decomposition rate of deadwood in various humidity and thermal conditions in ...Decaying wood is an essential element of forest ecosystems and it affects its other components.The aim of our research was to determine the decomposition rate of deadwood in various humidity and thermal conditions in the gaps formed in the montane forest stands.The research was carried out in the Babiog orski National Park.The research plots were marked out in the gaps of the stands,which were formed as a result of bark beetle gradation.Control plots were located in undisturbed stands.The research covered wood of two species–spruce and beech in the form of cubes with dimensions of 50 mm×50 mm×22 mm.Wood samples were placed directly on the soil surface and subjected to laboratory analysis after 36 months.A significant influence of the wood species and the study plot type on the physicochemical properties of the tested wood samples was found.Wood characteristics strongly correlated with soil moisture.A significantly higher mass decline of wood samples was recorded on the reference study plots,which were characterized by more stable moisture conditions.Poorer decomposition of wood in the gaps regardless of the species is related to lower moisture.The wood species covered by the study differed in the decomposition rate.Spruce wood samples were characterized by a significantly higher decomposition rate compared to beech wood samples.Our research has confirmed that disturbances that lead to the formation of gaps have a direct impact on the decomposition process of deadwood.展开更多
This paper attempts to explore the decoupling relationship and its drivers between industrial economic increase and energy-related CO_(2) emissions(ICE). Firstly, the decoupling relationship was evaluated by Tapio ind...This paper attempts to explore the decoupling relationship and its drivers between industrial economic increase and energy-related CO_(2) emissions(ICE). Firstly, the decoupling relationship was evaluated by Tapio index. Then, based on the DEA meta-frontier theory framework which taking into account the regional and industrial heterogeneity and index decomposition method, the driving factors of decoupling process were explored mainly from the view of technology and efficiency. The results show that during2000-2019, weak decoupling was the primary state. Investment scale expansion was the largest reason hindering decoupling process of industrial increase from ICE. Both energy saving and production technology achieved significant progress, which facilitated the decoupling process. Simultaneously, the energy technology gap and production technology gap among regions have been narrowed, and played a role in promoting decoupling process. On the contrary, both scale economy efficiency and pure technical efficiency have inhibiting effects on decoupling process. The former indicates that the scale economy of China's industry was not conducive to improve energy efficiency and production efficiency, while the latter indicates that resource misallocation problem may exist in both energy market and product market.展开更多
Remote reflection waves, essential for acquiring high-resolution images of geological structures beyond boreholes, often suffer contamination from strong direct mode waves propagating along the borehole.Consequently, ...Remote reflection waves, essential for acquiring high-resolution images of geological structures beyond boreholes, often suffer contamination from strong direct mode waves propagating along the borehole.Consequently, the extraction of weak reflected waves becomes pivotal for optimizing migration image quality. This paper introduces a novel approach to extracting reflected waves by sequentially operating in the spatial frequency and curvelet domains. Using variation mode decomposition(VMD), single-channel spatial domain signals within the common offset gather are iteratively decomposed into high-wavenumber and low-wavenumber intrinsic mode functions(IMFs). The low-wavenumber IMF is then subtracted from the overall waveform to attenuate direct mode waves. Subsequently, the curvelet transform is employed to segregate upgoing and downgoing reflected waves within the filtered curvelet domain. As a result, direct mode waves are substantially suppressed, while the integrity of reflected waves is fully preserved. The efficacy of this approach is validated through processing synthetic and field data, underscoring its potential as a robust extraction technique.展开更多
Starting with a decomposition conjecture,we carefully explain the basic decompositions for the Kadomtsev-Petviashvili(KP)equation as well as the necessary calculation procedures,and it is shown that the KP equation al...Starting with a decomposition conjecture,we carefully explain the basic decompositions for the Kadomtsev-Petviashvili(KP)equation as well as the necessary calculation procedures,and it is shown that the KP equation allows the Burgers-STO(BSTO)decomposition,two types of reducible coupled BSTO decompositions and the BSTO-KdV decomposition.Furthermore,we concentrate ourselves on pointing out the main idea and result of Bäcklund transformation of the KP equation based on a special superposition principle in the particular context of the BSTO decompositions.Using the framework of standard Lie point symmetry theory,these decompositions are studied and the problem of computing the corresponding symmetry constraints is treated.展开更多
An integrated sensing and communication(ISAC)scheme for a millimeter wave(mmWave)multiple-input multiple-output orthogonal frequency division multiplexing(MIMO-OFDM)Vehicle-to-Infrastructure(V2I)system is presented,in...An integrated sensing and communication(ISAC)scheme for a millimeter wave(mmWave)multiple-input multiple-output orthogonal frequency division multiplexing(MIMO-OFDM)Vehicle-to-Infrastructure(V2I)system is presented,in which both the access point(AP)and the vehicle are equipped with large antenna arrays and employ hybrid analog and digital beamforming structures to compensate the path loss,meanwhile compromise between hardware complexity and system performance.Based on the sparse scattering nature of the mmWave channel,the received signal at the AP is organized to a four-order tensor by the introduced novel frame structure.A CANDECOMP/PARAFAC(CP)decomposition-based method is proposed for time-varying channel parameter extraction,including angles of departure/arrival(AoDs/AoAs),Doppler shift,time delay and path gain.Then leveraging the estimates of channel parameters,a nonlinear weighted least-square problem is proposed to recover the location accurately,heading and velocity of vehicles.Simulation results show that the proposed methods are effective and efficient in time-varying channel estimation and vehicle sensing in mmWave MIMOOFDM V2I systems.展开更多
A study was conducted to identify the differences in the decompositions of leaf litter, lignin and carbohydrate between coniferous forest and broadleaf forest at 20℃ and 30℃ in Huangshan Mountain, Anhui Province, Ch...A study was conducted to identify the differences in the decompositions of leaf litter, lignin and carbohydrate between coniferous forest and broadleaf forest at 20℃ and 30℃ in Huangshan Mountain, Anhui Province, China. Results showed that at 20℃ mass loss of leaf litter driven by microbial decomposers was higher in broadleaf forest than that in coniferous forest, whereas the difference in mass loss of leaf litter was not significant at 30℃. The temperature increase did not affect the mass loss of leaf litter for coniferous forest treatment, but significantly reduced the decomposition rate for broadleaf forest treatment. The functional decomposers of microorganism in broadleaf forest produced a higher lignin decomposition rate at 20℃, compared to that in coniferous forest, but the difference in lignin decomposition was not found between two forest types at 30℃. Improved temperature increased the lignin decomposition for both broadleaf and coniferous forest. Additionally, the functional group of microorganism from broadleaf forest showed marginally higher carbohydrate loss than that from coniferous forest at both temperatures. Temperature increase reduced the carbohydrate decomposition for broadleaf forest, while only a little reduce was found for coniferous forest. Remarkable differences occurred in responses between most enzymes （Phenoloxidase, peroxidase, !5-glucosidase and endocellulase） and decomposition rate of leaf litter to forest type and temperature, although there exist strong relationships between measured enzyme activities and decomposition rate in most cases. The reason is that more than one enzyme contribute to the mass loss of leaf litter and organic chemical components. In conclusion, at a community scale the coniferous and broadleaf forests differed in their temperature-decomposition relationships.展开更多
The effects of nitrogen （N） availability and tree species on the dynamics of carbon and nitrogen at early stage of decomposition of forest litter were studied in a 13-week laboratory incubation experiment. Fresh lit...The effects of nitrogen （N） availability and tree species on the dynamics of carbon and nitrogen at early stage of decomposition of forest litter were studied in a 13-week laboratory incubation experiment. Fresh litter samples including needle litter （Pinus koraiensis） and two types of broadleaf litters （Quercus mongolica and Tilia amurensis） were collected from a broadleaf-korean pine mixed forest in the northern slope of Changbai Mountain （China）. Different doses of N （equal to 0, 30 and 50 kg.ha^-1yr^-1, respectively, as NH4NO3） were added to litter during the experiment period. The litter decomposition rate expressed as mass loss and respiration rate increased significantly with increasing N availability. The mass loss and cumulative CO2-C emission were higher in leaf litter compared to that in needle litter. The dis- solved organic Carbon （DOC） concentrations in litter leachate varied widely between the species, but were not greatly affected by N treatments. Regardless of the N addition rate, both N treatments and species had no significant effect on dissolved organic N （DON） concentrations in litter leachate. About 52-78% of added N was retained in the litter. The percentage of N retention was positively correlated （R^2=0.9 1, p〈0.05） with the litter mass loss. This suggested that a forest floor with easily decomposed litter might have higher potential N sink strength than that with more slowly decomposed litter.展开更多
The fluorescence spectrum of the ether-water solution excited by the ultraviolet light with the wavelength of 245 nm is experimentally detected. Based on the second derivative analysis, the fluorescence spectrum of th...The fluorescence spectrum of the ether-water solution excited by the ultraviolet light with the wavelength of 245 nm is experimentally detected. Based on the second derivative analysis, the fluorescence spectrum of the ether-water solution is used as Gaussian decomposition and seven Gaussian spectral lines are obtained. The center wavelength, the peak intensity and the half peak bandwidth of each Gaussian spectral line are measured, and the multi-peak fitting is made by using Gaussian primitive parameters. The highest and the lowest oscillation energy level differences in the ground state of each Gaussian spectrum are calculated. It is found that there are seven types of luminescent association molecules formed by ether and water molecules in different configurations existed in the solution. The location of each optimum absorption wavelength and the half peak bandwidth of the Gaussian spectral line is different. The energy level difference with the central wavelength of 304 nm attains the maximum value The result can contribute to the study of the molecular association in ether-water solution.展开更多
Let G be a graph and A be a subset of the edges of G. A frame decomposition of G is a pair (G-A,A) such t ha t G-A is connected. A smooth frame decomposition of G is a frame decompo sition satisfying the two conditi...Let G be a graph and A be a subset of the edges of G. A frame decomposition of G is a pair (G-A,A) such t ha t G-A is connected. A smooth frame decomposition of G is a frame decompo sition satisfying the two conditions: (1) Every leaf of G-A has a connected cotree and (2) The set of bridges of G-B(G-A) is A, where B(G-A) is the set of bridges of G-A. An efficient algorithm on finding a smooth frame decompositi on of a graph is provided.展开更多
To study the domain decomposition algorithms for the equations of elliptic type, the method of optimal boundary control was used to advance a new procedure for domain decomposition algorithms and regularization method...To study the domain decomposition algorithms for the equations of elliptic type, the method of optimal boundary control was used to advance a new procedure for domain decomposition algorithms and regularization method to deal with the ill posedness of the control problem. The determination of the value of the solution of the partial differential equation on the interface——the key of the domain decomposition algorithms——was transformed into a boundary control problem and the ill posedness of the control problem was overcome by regularization. The convergence of the regularizing control solution was proven and the equations which characterize the optimal control were given therefore the value of the unknown solution on the interface of the domain would be obtained by solving a series of coupling equations. Using the boundary control method the domain decomposion algorithm can be carried out.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11974154 and 12304278)the Taishan Scholars Special Funding for Construction Projects(Grant No.tstp20230622)+1 种基金the Natural Science Foundation of Shandong Province(Grant Nos.ZR2022MA004,ZR2023QA127,and ZR2024QA121)the Special Foundation of Yantai for Leading Talents above Provincial Level.
文摘As an independent thermodynamic parameter,pressure significantly influences interatomic distances,leading to an increase in material density.In this work,we employ the CALYPSO structure search and density functional theory calculations to explore the structural phase transitions and electronic properties of calcium-sulfur compounds(Ca_(x)S_(1-x),where x=1/4,1/3,1/2,2/3,3/4,4/5)under 0-1200 GPa.The calculated formation enthalpies suggest that Ca_(x)S_(1-x)compounds undergo multiple phase transitions and eventually decompose into elemental Ca and S,challenging the traditional view that pressure stabilizes and densifies compounds.The analysis of formation enthalpy indicates that an increase in pressure leads to a rise in internal energy and the PV term,resulting in thermodynamic instability.Bader charge analysis reveals that this phenomenon is attributed to a decrease in charge transfer under high pressure.The activation of Ca-3d orbitals is significantly enhanced under pressure,leading to competition with Ca-4s orbitals and S-3p orbitals.This may cause the formation enthalpy minimum on the convex hull to shift sequentially from CaS to CaS3,then to Ca_(3)S and Ca_(2)S,and finally back to CaS.These findings provide critical insights into the behavior of alkaline-earth metal sulfides under high pressure,with implications for the synthesis and application of novel materials under extreme conditions and for understanding element distribution in planetary interiors.
基金supported by the National Natural Science Foundation of China(Grant No.52206165)。
文摘Flammable ionic liquids exhibit high conductivity and a broad electrochemical window,enabling the generation of combustible gases for combustion via electrochemical decomposition and thermal decomposition.This characteristic holds significant implications in the realm of novel satellite propulsion.Introducing a fraction of the electrical energy into energetic ionic liquid fuels,the thermal decomposition process is facilitated by reducing the apparent activation energy required,and electrical energy can trigger the electrochemical decomposition of ionic liquids,presenting a promising approach to enhance combustion efficiency and energy release.This study applied an external voltage during the thermal decomposition of 1-ethyl-3-methylimidazole nitrate([EMIm]NO_(3)),revealing the effective alteration of the activation energy of[EMIm]NO_(3).The pyrolysis,electrochemical decomposition,and electron assisted enhancement products were identified through Thermogravimetry-Differential scanning calorimetry-Fourier transform infrared-Mass spectrometry(TG-DSC-FTIR-MS)and gas chromatography(GC)analyses,elucidating the degradation mechanism of[EMIm]NO_(3).Furthermore,an external voltage was introduced during the combustion of[EMIm]NO_(3),demonstrating the impact of voltage on the combustion process.
基金The authors gratefully acknowledge financial support from the National Natural Science Foundation of China(52103090)the Natural Science Foundation of Guangdong Province(2022A1515011780)Autonomous deployment project of China National Key Laboratory of Materials for Integrated Circuits(NKLJC-Z2023-B03).
文摘The remarkable properties of carbon nanotubes(CNTs)have led to promising applications in the field of electromagnetic inter-ference(EMI)shielding.However,for macroscopic CNT assemblies,such as CNT film,achieving high electrical and mechanical properties remains challenging,which heavily depends on the tube-tube interac-tions of CNTs.Herein,we develop a novel strategy based on metal-organic decomposition(MOD)to fabricate a flexible silver-carbon nanotube(Ag-CNT)film.The Ag particles are introduced in situ into the CNT film through annealing of MOD,leading to enhanced tube-tube interactions.As a result,the electrical conductivity of Ag-CNT film is up to 6.82×10^(5) S m^(-1),and the EMI shielding effectiveness of Ag-CNT film with a thickness of~7.8μm exceeds 66 dB in the ultra-broad frequency range(3-40 GHz).The tensile strength and Young’s modulus of Ag-CNT film increase from 30.09±3.14 to 76.06±6.20 MPa(~253%)and from 1.12±0.33 to 8.90±0.97 GPa(~795%),respectively.Moreover,the Ag-CNT film exhibits excellent near-field shield-ing performance,which can effectively block wireless transmission.This innovative approach provides an effective route to further apply macroscopic CNT assemblies to future portable and wearable electronic devices.
基金National Natural Science Foundation of China(Grant No.21975227)the Found of National defence Science and Technology Key Laboratory (Grant No.6142602210306)。
文摘Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular perovskite-based material DAP-4 was studied.Biomass porous carbonaceous materials was considered as the micro/nano support layers for in situ deposition of Fe/N precursors.Fe/Np Carbon was prepared simply by the high-temperature carbonization method.It was found that it showed the inherent catalysis properties for thermal decomposition of DAP-4.The heat release of DAP-4/Fe/N-p Carbon by DSC curves tested had increased slightly,compared from DAP-4/Fe/N-p Carbon-0.The decomposition temperature peak of DAP-4 at the presence of Fe/N-p Carbon had reduced by 79°C from384.4°C(pure DAP-4) to 305.4°C(DAP-4/Fe/N-p Carbon-3).The apparent activation energy of DAP-4thermal decomposition also had decreased by 29.1 J/mol.The possible catalytic decomposition mechanism of DAP-4 with Fe/N-p Carbon was proposed.
基金funded by the National Natural Science Foundation of China(Grant No.21975024)。
文摘2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.
基金Supported by the National Natural Science Foundation of China(62376214)the Natural Science Basic Research Program of Shaanxi(2023-JC-YB-533)Foundation of Ministry of Education Key Lab.of Cognitive Radio and Information Processing(Guilin University of Electronic Technology)(CRKL200203)。
文摘A modified multiple-component scattering power decomposition for analyzing polarimetric synthetic aperture radar(PolSAR)data is proposed.The modified decomposition involves two distinct steps.Firstly,ei⁃genvectors of the coherency matrix are used to modify the scattering models.Secondly,the entropy and anisotro⁃py of targets are used to improve the volume scattering power.With the guarantee of high double-bounce scatter⁃ing power in the urban areas,the proposed algorithm effectively improves the volume scattering power of vegeta⁃tion areas.The efficacy of the modified multiple-component scattering power decomposition is validated using ac⁃tual AIRSAR PolSAR data.The scattering power obtained through decomposing the original coherency matrix and the coherency matrix after orientation angle compensation is compared with three algorithms.Results from the experiment demonstrate that the proposed decomposition yields more effective scattering power for different PolSAR data sets.
基金Saudi Aramco for their fundingsupported by the Supercomputing Laboratory at King Abdullah University of Science&Technology (KAUST) in Thuwal,Saudi Arabiaused Expanse cluster at San Diego Supercomputer Center through allocation TG-CHE170060 from the Advanced Cyberinfrastructure Coordination Ecosystem:Services&Support (ACCESS) program,which is supported by National Science Foundation grants#2138259,#2138286,#2138307,#2137603, and#2138296。
文摘Ammonia decomposition is a key reaction in the context of hydrogen storage, transport, and release. This study combines density functional theory(DFT) calculations with microkinetic modeling to address the promotion mechanism of Ba species for ammonia decomposition on Co catalysts. The modified adsorption properties of Co upon the addition of metallic Ba or BaO suggest that the promoters play a role in alleviating the competitive adsorption of H. Calculating the full reaction pathway of ammonia decomposition shows that limiting the investigation to the N–N association step, as done previously, overlooks the effect of the promoter on the energy barriers of the NHxdehydrogenation steps. Challenges of modeling the ammonia decomposition reaction are addressed by understanding that the NH_(2) intermediate is stabilized on the step sites rather than the terrace sites. When the effect of H-coverage on the adsorption of NH_(3) is not considered in the microkinetic simulations, the results conflict with the experiments.However, accounting for the effect of H-coverage, as performed here, shows that BaO-doped Co has higher rates than pristine Co and Ba-doped Co at the reaction temperature of 723.15 K. When H is adsorbed on the Ba-doped Co, the adsorption of ammonia becomes significantly endergonic, which makes the rates relatively slow. The superiority of the BaO-promoted catalyst is attributed to a lower energy for the transition state of the rate-determining step, coupled with a reduced impact of the hydrogen coverage on weakening the ammonia adsorption. The kinetic analysis of the influence of Ba and BaO on the Co surface shows that BaO-doped Co aligns more closely with experimental observations than Badoped Co. This implies that Ba on the Co surface is likely to be in an oxide form under reaction conditions.Understanding the kinetics of the ammonia decomposition reaction provides a foundation for developing highly effective catalysts to accelerate the industrial utilization of ammonia as a sustainable hydrogen carrier.
基金supported by the National Natural Science Foundation of China(Grant No.62063016).
文摘In a“low-carbon”context,the power load is affected by the coupling of multiple factors,which gradually evolves from the traditional“pure load”to the generalized load with the dual characteristics of“load+power supply.”Traditional time-series forecasting methods are no longer suitable owing to the complexity and uncertainty associated with generalized loads.From the perspective of image processing,this study proposes a graphical short-term prediction method for generalized loads based on modal decomposition.First,the datasets are normalized and feature-filtered by comparing the results of Xtreme gradient boosting,gradient boosted decision tree,and random forest algorithms.Subsequently,the generalized load data are decomposed into three sets of modalities by modal decomposition,and red,green,and blue(RGB)images are generated using them as the pixel values of the R,G,and B channels.The generated images are diversified,and an optimized DenseNet neural network was used for training and prediction.Finally,the base load,wind power,and photovoltaic power generation data are selected,and the characteristic curves of the generalized load scenarios under different permeabilities of wind power and photovoltaic power generation are obtained using the density-based spatial clustering of applications with noise algorithm.Based on the proposed graphical forecasting method,the feasibility of the generalized load graphical forecasting method is verified by comparing it with the traditional time-series forecasting method.
文摘Real and complex Schur forms have been receiving increasing attention from the fluid mechanics community recently,especially related to vortices and turbulence.Several decompositions of the velocity gradient tensor,such as the triple decomposition of motion(TDM)and normal-nilpotent decomposition(NND),have been proposed to analyze the local motions of fluid elements.However,due to the existence of different types and non-uniqueness of Schur forms,as well as various possible definitions of NNDs,confusion has spread widely and is harming the research.This work aims to clean up this confusion.To this end,the complex and real Schur forms are derived constructively from the very basics,with special consideration for their non-uniqueness.Conditions of uniqueness are proposed.After a general discussion of normality and nilpotency,a complex NND and several real NNDs as well as normal-nonnormal decompositions are constructed,with a brief comparison of complex and real decompositions.Based on that,several confusing points are clarified,such as the distinction between NND and TDM,and the intrinsic gap between complex and real NNDs.Besides,the author proposes to extend the real block Schur form and its corresponding NNDs for the complex eigenvalue case to the real eigenvalue case.But their justification is left to further investigations.
基金supported by the National Key R&D Program of China(No.2018YFA0702505)the project of CNOOC Limited(Grant No.CNOOC-KJ GJHXJSGG YF 2022-01)+1 种基金R&D Department of China National Petroleum Corporation(Investigations on fundamental experiments and advanced theoretical methods in geophysical prospecting application,2022DQ0604-02)NSFC(Grant Nos.U23B20159,41974142,42074129,12001311)。
文摘P-and S-wave separation plays an important role in elastic reverse-time migration.It can reduce the artifacts caused by crosstalk between different modes and improve image quality.In addition,P-and Swave separation can also be used to better understand and distinguish wave types in complex media.At present,the methods for separating wave modes in anisotropic media mainly include spatial nonstationary filtering,low-rank approximation,and vector Poisson equation.Most of these methods require multiple Fourier transforms or the calculation of large matrices,which require high computational costs for problems with large scale.In this paper,an efficient method is proposed to separate the wave mode for anisotropic media by using a scalar anisotropic Poisson operator in the spatial domain.For 2D problems,the computational complexity required by this method is 1/2 of the methods based on solving a vector Poisson equation.Therefore,compared with existing methods based on pseudoHelmholtz decomposition operators,this method can significantly reduce the computational cost.Numerical examples also show that the P and S waves decomposed by this method not only have the correct amplitude and phase relative to the input wavefield but also can reduce the computational complexity significantly.
基金financed by the National Science Centre,Poland:decision no.DEC 2020/39/B/NZ9/00372 and decision no.DEC-2021/43/O/NZ9/00066。
文摘Decaying wood is an essential element of forest ecosystems and it affects its other components.The aim of our research was to determine the decomposition rate of deadwood in various humidity and thermal conditions in the gaps formed in the montane forest stands.The research was carried out in the Babiog orski National Park.The research plots were marked out in the gaps of the stands,which were formed as a result of bark beetle gradation.Control plots were located in undisturbed stands.The research covered wood of two species–spruce and beech in the form of cubes with dimensions of 50 mm×50 mm×22 mm.Wood samples were placed directly on the soil surface and subjected to laboratory analysis after 36 months.A significant influence of the wood species and the study plot type on the physicochemical properties of the tested wood samples was found.Wood characteristics strongly correlated with soil moisture.A significantly higher mass decline of wood samples was recorded on the reference study plots,which were characterized by more stable moisture conditions.Poorer decomposition of wood in the gaps regardless of the species is related to lower moisture.The wood species covered by the study differed in the decomposition rate.Spruce wood samples were characterized by a significantly higher decomposition rate compared to beech wood samples.Our research has confirmed that disturbances that lead to the formation of gaps have a direct impact on the decomposition process of deadwood.
基金financial support from the China Postdoctoral Science Foundation project(No.2023M733253)。
文摘This paper attempts to explore the decoupling relationship and its drivers between industrial economic increase and energy-related CO_(2) emissions(ICE). Firstly, the decoupling relationship was evaluated by Tapio index. Then, based on the DEA meta-frontier theory framework which taking into account the regional and industrial heterogeneity and index decomposition method, the driving factors of decoupling process were explored mainly from the view of technology and efficiency. The results show that during2000-2019, weak decoupling was the primary state. Investment scale expansion was the largest reason hindering decoupling process of industrial increase from ICE. Both energy saving and production technology achieved significant progress, which facilitated the decoupling process. Simultaneously, the energy technology gap and production technology gap among regions have been narrowed, and played a role in promoting decoupling process. On the contrary, both scale economy efficiency and pure technical efficiency have inhibiting effects on decoupling process. The former indicates that the scale economy of China's industry was not conducive to improve energy efficiency and production efficiency, while the latter indicates that resource misallocation problem may exist in both energy market and product market.
基金supported by the National Natural Science Foundation of China (grant No. 42204126, 42174145, 42104132)Laoshan National Laboratory Science and Technology Innovation Project (grant No. LSKJ202203407)。
文摘Remote reflection waves, essential for acquiring high-resolution images of geological structures beyond boreholes, often suffer contamination from strong direct mode waves propagating along the borehole.Consequently, the extraction of weak reflected waves becomes pivotal for optimizing migration image quality. This paper introduces a novel approach to extracting reflected waves by sequentially operating in the spatial frequency and curvelet domains. Using variation mode decomposition(VMD), single-channel spatial domain signals within the common offset gather are iteratively decomposed into high-wavenumber and low-wavenumber intrinsic mode functions(IMFs). The low-wavenumber IMF is then subtracted from the overall waveform to attenuate direct mode waves. Subsequently, the curvelet transform is employed to segregate upgoing and downgoing reflected waves within the filtered curvelet domain. As a result, direct mode waves are substantially suppressed, while the integrity of reflected waves is fully preserved. The efficacy of this approach is validated through processing synthetic and field data, underscoring its potential as a robust extraction technique.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 12235007, 11975131, and 12275144)the K. C. Wong Magna Fund in Ningbo Universitythe Natural Science Foundation of Zhejiang Province of China (Grant No. LQ20A010009)
文摘Starting with a decomposition conjecture,we carefully explain the basic decompositions for the Kadomtsev-Petviashvili(KP)equation as well as the necessary calculation procedures,and it is shown that the KP equation allows the Burgers-STO(BSTO)decomposition,two types of reducible coupled BSTO decompositions and the BSTO-KdV decomposition.Furthermore,we concentrate ourselves on pointing out the main idea and result of Bäcklund transformation of the KP equation based on a special superposition principle in the particular context of the BSTO decompositions.Using the framework of standard Lie point symmetry theory,these decompositions are studied and the problem of computing the corresponding symmetry constraints is treated.
文摘An integrated sensing and communication(ISAC)scheme for a millimeter wave(mmWave)multiple-input multiple-output orthogonal frequency division multiplexing(MIMO-OFDM)Vehicle-to-Infrastructure(V2I)system is presented,in which both the access point(AP)and the vehicle are equipped with large antenna arrays and employ hybrid analog and digital beamforming structures to compensate the path loss,meanwhile compromise between hardware complexity and system performance.Based on the sparse scattering nature of the mmWave channel,the received signal at the AP is organized to a four-order tensor by the introduced novel frame structure.A CANDECOMP/PARAFAC(CP)decomposition-based method is proposed for time-varying channel parameter extraction,including angles of departure/arrival(AoDs/AoAs),Doppler shift,time delay and path gain.Then leveraging the estimates of channel parameters,a nonlinear weighted least-square problem is proposed to recover the location accurately,heading and velocity of vehicles.Simulation results show that the proposed methods are effective and efficient in time-varying channel estimation and vehicle sensing in mmWave MIMOOFDM V2I systems.
基金This study was supported by National Natural Sci-ence Foundation of China (30470299)Key Project of National Sci-ence Foundation of China (30430570).
文摘A study was conducted to identify the differences in the decompositions of leaf litter, lignin and carbohydrate between coniferous forest and broadleaf forest at 20℃ and 30℃ in Huangshan Mountain, Anhui Province, China. Results showed that at 20℃ mass loss of leaf litter driven by microbial decomposers was higher in broadleaf forest than that in coniferous forest, whereas the difference in mass loss of leaf litter was not significant at 30℃. The temperature increase did not affect the mass loss of leaf litter for coniferous forest treatment, but significantly reduced the decomposition rate for broadleaf forest treatment. The functional decomposers of microorganism in broadleaf forest produced a higher lignin decomposition rate at 20℃, compared to that in coniferous forest, but the difference in lignin decomposition was not found between two forest types at 30℃. Improved temperature increased the lignin decomposition for both broadleaf and coniferous forest. Additionally, the functional group of microorganism from broadleaf forest showed marginally higher carbohydrate loss than that from coniferous forest at both temperatures. Temperature increase reduced the carbohydrate decomposition for broadleaf forest, while only a little reduce was found for coniferous forest. Remarkable differences occurred in responses between most enzymes （Phenoloxidase, peroxidase, !5-glucosidase and endocellulase） and decomposition rate of leaf litter to forest type and temperature, although there exist strong relationships between measured enzyme activities and decomposition rate in most cases. The reason is that more than one enzyme contribute to the mass loss of leaf litter and organic chemical components. In conclusion, at a community scale the coniferous and broadleaf forests differed in their temperature-decomposition relationships.
基金Foundation project： This work was supported by the Knowledge Innova- tion Project of the Chinese Academy of Sciences （KZCX2-YW-416） and the National Natural Science Foundation （90411020）
文摘The effects of nitrogen （N） availability and tree species on the dynamics of carbon and nitrogen at early stage of decomposition of forest litter were studied in a 13-week laboratory incubation experiment. Fresh litter samples including needle litter （Pinus koraiensis） and two types of broadleaf litters （Quercus mongolica and Tilia amurensis） were collected from a broadleaf-korean pine mixed forest in the northern slope of Changbai Mountain （China）. Different doses of N （equal to 0, 30 and 50 kg.ha^-1yr^-1, respectively, as NH4NO3） were added to litter during the experiment period. The litter decomposition rate expressed as mass loss and respiration rate increased significantly with increasing N availability. The mass loss and cumulative CO2-C emission were higher in leaf litter compared to that in needle litter. The dis- solved organic Carbon （DOC） concentrations in litter leachate varied widely between the species, but were not greatly affected by N treatments. Regardless of the N addition rate, both N treatments and species had no significant effect on dissolved organic N （DON） concentrations in litter leachate. About 52-78% of added N was retained in the litter. The percentage of N retention was positively correlated （R^2=0.9 1, p〈0.05） with the litter mass loss. This suggested that a forest floor with easily decomposed litter might have higher potential N sink strength than that with more slowly decomposed litter.
基金Supported by the Natural Science Foundation of Jiangsu Province(BK2007204)the Natural Sci-ence Foundation of Educational Department of Jiangsu Province(07KJD140208)~~
文摘The fluorescence spectrum of the ether-water solution excited by the ultraviolet light with the wavelength of 245 nm is experimentally detected. Based on the second derivative analysis, the fluorescence spectrum of the ether-water solution is used as Gaussian decomposition and seven Gaussian spectral lines are obtained. The center wavelength, the peak intensity and the half peak bandwidth of each Gaussian spectral line are measured, and the multi-peak fitting is made by using Gaussian primitive parameters. The highest and the lowest oscillation energy level differences in the ground state of each Gaussian spectrum are calculated. It is found that there are seven types of luminescent association molecules formed by ether and water molecules in different configurations existed in the solution. The location of each optimum absorption wavelength and the half peak bandwidth of the Gaussian spectral line is different. The energy level difference with the central wavelength of 304 nm attains the maximum value The result can contribute to the study of the molecular association in ether-water solution.
文摘Let G be a graph and A be a subset of the edges of G. A frame decomposition of G is a pair (G-A,A) such t ha t G-A is connected. A smooth frame decomposition of G is a frame decompo sition satisfying the two conditions: (1) Every leaf of G-A has a connected cotree and (2) The set of bridges of G-B(G-A) is A, where B(G-A) is the set of bridges of G-A. An efficient algorithm on finding a smooth frame decompositi on of a graph is provided.
文摘To study the domain decomposition algorithms for the equations of elliptic type, the method of optimal boundary control was used to advance a new procedure for domain decomposition algorithms and regularization method to deal with the ill posedness of the control problem. The determination of the value of the solution of the partial differential equation on the interface——the key of the domain decomposition algorithms——was transformed into a boundary control problem and the ill posedness of the control problem was overcome by regularization. The convergence of the regularizing control solution was proven and the equations which characterize the optimal control were given therefore the value of the unknown solution on the interface of the domain would be obtained by solving a series of coupling equations. Using the boundary control method the domain decomposion algorithm can be carried out.
