The Paleocene mudrocks in Ghana’s Tano Basin have received limited attention despite ongoing efforts to explore hydrocarbon resources.A thorough geochemical analysis is imperative to assess these mudrocks’petroleum ...The Paleocene mudrocks in Ghana’s Tano Basin have received limited attention despite ongoing efforts to explore hydrocarbon resources.A thorough geochemical analysis is imperative to assess these mudrocks’petroleum generation potential and formulate effective exploration strategies.In this study,a comprehensive geochemical analysis was carried out on ten Paleocene rock cuttings extracted from TP-1,a discovery well within the Tano Basin.Various analytical techniques,including total organic carbon(TOC)analysis,Rock–Eval pyrolysis,gas chromatography-mass spectrometry,and isotope ratio-mass spectrometry,were employed to elucidate their hydrocar-bon potential and organic facies.Thefindings in this study were subsequently compared to existing geochemical data on Paleocene source rocks in the South Atlantic marginal basins.The results indicated that the Paleocene samples have TOC content ranging from 0.68 to 2.93 wt%.The prevalent kerogen types identified in these samples were Type Ⅱ and Type Ⅲ.Molecular and isotope data suggest that the organic matter found in the Paleocene mudrocks can be traced back to land plants and lower aquatic organisms.These mudrocks were deposited in a transi-tional environment withfluctuating water salinity,charac-terized by sub-oxic redox conditions.Maturity indices,both bulk and molecular,indicated a spectrum of maturity levels within the Paleocene mudrocks,spanning from immature to marginally mature,with increasing maturity observed with greater depth.In comparison,the organic composition and depositional environments of Paleocene source rocks in the Tano Basin closely resemble those found in the Niger Delta Basin,Douala,and Kribi-Campo Basins,the Kwanza Formation in Angola,and certain Brazilian marginal basins.However,it is worth noting that Paleocene source rocks in some of the basins,such as the Niger Delta and Brazilian marginal basins,exhibit rela-tively higher thermal maturity levels compared to those observed in the current Paleocene samples from the Tano Basin.In conclusion,the comprehensive geochemical analysis of Paleocene mudrocks within Ghana’s Tano Basin has unveiled their marginal hydrocarbon generation potential.The shared geochemical characteristics between the Paleocene mudrocks in the Tano Basin and those in the nearby South Atlantic marginal basins offer valuable insights into source rock quality,which is crucial for shaping future strategies in petroleum exploration in this region.展开更多
Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium batteries.However,atomic insights into the EDL structures on heteroatom-modified graphite ano...Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium batteries.However,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very lacking.Herein,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an example.An interface model was developed,incorporating the electrode potential and atom electronegativities.As a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic level.Specifically,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,respectively.Such preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+deposition.This CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.展开更多
Neurological disorders and injuries lead to the impairment or depletion of neurons in terms of quantity,structure,or function,resulting in the loss of cognitive,emotional,and physical abilities in human beings.This,in...Neurological disorders and injuries lead to the impairment or depletion of neurons in terms of quantity,structure,or function,resulting in the loss of cognitive,emotional,and physical abilities in human beings.This,in turn,accompanies the shortfall of valuable human resources and economic potential,causing a detriment to society.Addressing these challenges,therefore,becomes imperative not only from a humanitarian perspective but also as a means of preserving human capital and bolstering economic prosperity.展开更多
The word “senescence” comes from the Latin senescens, meaning “to begin to age”, and is characterized by a long-lasting but reversible block in proliferation, resulting from stress-induced cell cycle arrest of pre...The word “senescence” comes from the Latin senescens, meaning “to begin to age”, and is characterized by a long-lasting but reversible block in proliferation, resulting from stress-induced cell cycle arrest of previously replication-competent cells.展开更多
Abnormal SEP reflects dysfunction of the medial lemniscus and posterior cervical cord. These structures are likely to be affected in Chiari malformation. Therefore, SEP abnormalities may provide valuable information i...Abnormal SEP reflects dysfunction of the medial lemniscus and posterior cervical cord. These structures are likely to be affected in Chiari malformation. Therefore, SEP abnormalities may provide valuable information in patients with CM. However, the consistency of SEP abnormality or normality with the damage is a matter of research. Knowing whether median nerve somatosensory evoked potential (SEP) is useful in revealing subclinical damage in patients with Chiari malformation is important in the treatment and follow-up plan of the disease. The aim of this study was to investigate the relationship between median nerve SEP values and the severity of cerebellar ectopia in patients with Chiari type 1 malformation. Median nerve SEP values were obtained from 30 healthy individuals and 146 individuals with Chiari malformation. The cerebellar ectopia degree and McRae line length were measured. SEP values were not significantly different between groups. The McRae line was found to be significantly shorter in the control group than in the Chiari malformation group (p = 0.031). There was no correlation between the degree of cerebellar ectopia and the length of the McRae line (r = 0.002, p = 0.979). Neither cerebellar ectopy degree nor McRae line length had a relationship with SEP values (r = -0.153, p = 0.066;r = -0.056, p = 0.500, respectively). There was no difference in cerebellar ectopy degree or SEP values between the groups with cerebellar ectopy with and without a syrinx (p = 0.899;p = 0.080, respectively). Likewise, McRae line length was not found to be related to the presence of a syrinx (p = 0.139). Median nerve SEP examination was not beneficial for diagnosing asymptomatic-oligosymptomatic Chiari malformation as a subclinical injury, whether accompanied by syringomyelia or not.展开更多
In this article, we study the smoothing effect of the Cauchy problem for the spatially homogeneous non-cutoff Boltzmann equation for hard potentials. It has long been suspected that the non-cutoff Boltzmann equation e...In this article, we study the smoothing effect of the Cauchy problem for the spatially homogeneous non-cutoff Boltzmann equation for hard potentials. It has long been suspected that the non-cutoff Boltzmann equation enjoys similar regularity properties as to whose of the fractional heat equation. We prove that any solution with mild regularity will become smooth in Gevrey class at positive time, with a sharp Gevrey index, depending on the angular singularity. Our proof relies on the elementary L^(2) weighted estimates.展开更多
The study involved the evaluation of the hydrocarbon potential of FORMAT Field, coastal swamp depobelt Niger delta, Nigeria to obtain a more efficient reservoir characterization and fluid properties identification. De...The study involved the evaluation of the hydrocarbon potential of FORMAT Field, coastal swamp depobelt Niger delta, Nigeria to obtain a more efficient reservoir characterization and fluid properties identification. Despite advances in seismic data interpretation using traditional 3D seismic data interpretation, obtaining adequate reservoir characteristics at the finest level had proved very challenging with often disappointing results. A method that integrates the amplitude variation with offfset (AVO) analysis is hereby proposed to better illuminate the reservoir. The Hampson Russell 10.3 was used to integrate and study the available seismic and well data. The reservoir of interest was delineated using the available suite of petrophysical data. This was marked by low gamma ray, high resistivity, and low acoustic impedance between a true subsea vertical depth (TVDss) range of 10,350 - 10,450 ft. The AVO fluid substitution yielded a decrease in the density values of pure gas (2.3 - 1.6 g/cc), pure oil (2.3 - 1.8 g/cc) while the Poisson pure brine increased (2.3 to 2.8 g/cc). Result from FORMAT 26 plots yielded a negative intercept and negative gradient at the top and a positive intercept and positive gradient at the Base which conforms to Class III AVO anomaly. FORMAT 30 plots yielded a negative intercept and positive gradient at the top and a positive intercept and negative gradient at the Base which conforms to class IV AVO anomaly. AVO attribute volume slices decreased in the Poisson ratio (0.96 to - 1.0) indicating that the reservoir contains hydrocarbon. The s-wave reflectivity and the product of the intercept and gradient further clarified that there was a Class 3 gas sand in the reservoir and the possibility of a Class 4 gas sand anomaly in that same reservoir.展开更多
GeTe has attracted extensive research interest for thermoelectric applications.In this paper,we first train a neuroevolution potential(NEP)based on a dataset constructed by ab initio molecular dynamics,with the Gaussi...GeTe has attracted extensive research interest for thermoelectric applications.In this paper,we first train a neuroevolution potential(NEP)based on a dataset constructed by ab initio molecular dynamics,with the Gaussian approximation potential(GAP)as a reference.The phonon density of states is then calculated by two machine learning potentials and compared with density functional theory results,with the GAP potential having higher accuracy.Next,the thermal conductivity of a GeTe crystal at 300 K is calculated by the equilibrium molecular dynamics method using both machine learning potentials,and both of them are in good agreement with the experimental results;however,the calculation speed when using the NEP potential is about 500 times faster than when using the GAP potential.Finally,the lattice thermal conductivity in the range of 300 K-600 K is calculated using the NEP potential.The lattice thermal conductivity decreases as the temperature increases due to the phonon anharmonic effect.This study provides a theoretical tool for the study of the thermal conductivity of GeTe.展开更多
A novel emissive probe consisting of an oxide cathode coating is developed to achieve a low operating temperature and long service life.The properties of the novel emissive probe are investigated in detail,in comparis...A novel emissive probe consisting of an oxide cathode coating is developed to achieve a low operating temperature and long service life.The properties of the novel emissive probe are investigated in detail,in comparison with a traditional tungsten emissive probe,including the operating temperature,the electron emission capability and the plasma potential measurement.Studies of the operating temperature and electron emission capability show that the tungsten emissive probe usually works at a temperature of 1800 K-2200 K while the oxide cathode emissive probe can function at about 1200 K-1400 K.In addition,plasma potential measurements using the oxide cathode emissive probe with different techniques have been accomplished in microwave electron cyclotron resonance plasmas with different discharge powers.It is found that a reliable plasma potential can be obtained using the improved inflection point method and the hot probe with zero emission limit method,while the floating point method is invalid for the oxide cathode emissive probe.展开更多
Water management is an important practice that affects fruit size and quality.Effective implementation of irrigation scheduling requires knowledge of the appropriate indicators and thresholds,which are established man...Water management is an important practice that affects fruit size and quality.Effective implementation of irrigation scheduling requires knowledge of the appropriate indicators and thresholds,which are established manly based on the effects of water deficits on final fruit quality.Few studies have focused on the real-time effects of water status on fruit and shoot growth.To establish soil water potential (ψ_(soil)) thresholds to trigger irrigation of peach at pivotal fruit developmental stages,photogrammetry,^(13)C labelling,and other techniques were used in this study to investigate real-time changes in stem diameter,fruit projected area,net leaf photosynthetic rate (P_(n)),and allocation of photoassimilates to fruit under soil water potential conditions ranging from saturation to stress in 6-year-old Shimizu hakuto’peach.Stem growth,fruit growth,and P_n exhibited gradually decreasing sensitivity to water deficits during fruit developmental stages I,II,and III.Stem diameter growth was significantly inhibited whenψ_(soil)dropped to-8.5,-7.6,and-5.4 k Pa,respectively.Fruit growth rate was low,reaching zero when theψ_(soil)was-9.0 to-23.1,-14.9 to-21.4,and-16.5 to-23.3 k Pa,respectively,and P_ndecreased significantly when theψ_(soil)reached-24.2,-22.7,and-20.4 kPa,respectively.In addition,more photoassimilates were allocated to fruit under moderateψ_(soil)conditions (-10.1 to-17.0 k Pa) than under otherψ_(soil)values.Our results revealed threeψ_(soil)thresholds,-10.0,-15.0,and-15.0 kPa,suitable for triggering irrigation during stages I,II,and III,respectively.These thresholds can be helpful for controlling excessive tree vigor,maintaining rapid fruit growth and leaf photosynthesis,and promoting the allocation of more photoassimilates to fruit.展开更多
This research study explored the efficacy of leaf litter compost as a sustainable soil amendment with the objective of promoting soil health and mitigating the accumulation of potentially toxic elements. The investiga...This research study explored the efficacy of leaf litter compost as a sustainable soil amendment with the objective of promoting soil health and mitigating the accumulation of potentially toxic elements. The investigation encompassed the impact of various organic compost amendments, including leaf compost, cow dung manure, kitchen waste compost, municipal organic waste compost, and vermicompost. The study employed Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to evaluate soil nutrient levels and concentrations of Potentially Toxic Elements (PTEs) such as arsenic, chromium, cadmium, mercury, lead, nickel, and lithium. The fertilization and bioremediation potential of these compost amendments are quantified using an indexing method. Results indicated a substantial increase in overall nutrient levels (carbon, nitrogen, phosphorus, potassium, and sulfur) in soils treated with leaf compost and other organic composts. Fertility indices (FI) are notably higher in compost-amended soils (ranging from 2.667 to 3.938) compared to those amended with chemical fertilizers (ranging from 2.250 to 2.813) across all soil samples. Furthermore, the mean concentrations of PTEs were significantly lower in soils treated with leaf compost and other organic compost amendments compared to those treated with chemical fertilizers amendments. The assessment through the indexing method revealed a high clean index (CI) for leaf compost amendment (ranging from 3.407 to 3.58), whereas the chemical fertilizer amendment exhibits a relatively lower CI (ranging from 2.78 to 3.20). Consequently, leaf compost and other organic composts exhibit the potential to enhance sustainable productivity, promoting soil health and environmental safety by improving nutrient levels and remediating potentially toxic elements in the soil.展开更多
Cu2ZnSn(S,Se)4(CZTSSe)solar cells have resource distribution and economic advantages.The main cause of their low efficiency is carrier loss resulting from recombination of photo-generated electron and hole.To overcome...Cu2ZnSn(S,Se)4(CZTSSe)solar cells have resource distribution and economic advantages.The main cause of their low efficiency is carrier loss resulting from recombination of photo-generated electron and hole.To overcome this,it is important to understand their electron-hole behavior characteristics.To determine the carrier separation characteristics,we measured the surface potential and the local current in terms of the absorber depth.The elemental variation in the intragrains(IGs)and at the grain boundaries(GBs)caused a band edge shift and bandgap(Eg)change.At the absorber surface and subsurface,an upward Ec and Ev band bending structure was observed at the GBs,and the carrier separation was improved.At the absorber center,both upward Ec and Ev and downward Ec-upward Ev band bending structures were observed at the GBs,and the carrier separation was degraded.To improve the carrier separation and suppress carrier recombination,an upward Ec and Ev band bending structure at the GBs is desirable.展开更多
The aim of this review was to evaluate the therapeutic potential of exosomes, extracellular vesicles secreted by cells. They have emerged as potential therapeutic transporters for several diseases. This review provide...The aim of this review was to evaluate the therapeutic potential of exosomes, extracellular vesicles secreted by cells. They have emerged as potential therapeutic transporters for several diseases. This review provides an overview of exosomes’ therapeutic potential in cancer therapy and autoimmune conditions such as Coeliac Disease. The therapeutic effect is that the phospholipid-binding protein ANXA1 improves its anti-inflammatory properties. The review also analyzes the intricate processes of exosome production and composition ability to transport biomolecules such as proteins, microRNAs, and lipids, which promote intercellular communication and alter recipient cell behavior. Exosomes, linked to neurological disorders, cardiovascular disease, and cancer, present the means of targeted drug administration due to their innate specificity. Through genetic engineering and chemical modifications, exosomes can be tailored for specific purposes, demonstrating their versatility in targeted therapy. With ongoing research uncovering their therapeutic potential, exosomes present a promising frontier in novel medical treatments across various health conditions.展开更多
Potential natural vegetation(PNV)is a valuable reference for ecosystem renovation and has garnered increasing attention worldwide.However,there is limited knowledge on the spatio-temporal distributions,transitional pr...Potential natural vegetation(PNV)is a valuable reference for ecosystem renovation and has garnered increasing attention worldwide.However,there is limited knowledge on the spatio-temporal distributions,transitional processes,and underlying mechanisms of global natural vegetation,particularly in the case of ongoing climate warming.In this study,we visualize the spatio-temporal pattern and inter-transition procedure of global PNV,analyse the shifting distances and directions of global PNV under the influence of climatic disturbance,and explore the mechanisms of global PNV in response to temperature and precipitation fluctuations.To achieve this,we utilize meteorological data,mainly temperature and precipitation,from six phases:the Last Inter-Glacial(LIG),the Last Glacial Maximum(LGM),the Mid Holocene(MH),the Present Day(PD),2030(20212040)and 2090(2081–2100),and employ a widely-accepted comprehensive and sequential classification sy–stem(CSCS)for global PNV classification.We find that the spatial patterns of five PNV groups(forest,shrubland,savanna,grassland and tundra)generally align with their respective ecotopes,although their distributions have shifted due to fluctuating temperature and precipitation.Notably,we observe an unexpected transition between tundra and savanna despite their geographical distance.The shifts in distance and direction of five PNV groups are mainly driven by temperature and precipitation,although there is heterogeneity among these shifts for each group.Indeed,the heterogeneity observed among different global PNV groups suggests that they may possess varying capacities to adjust to and withstand the impacts of changing climate.The spatio-temporal distributions,mutual transitions and shift tendencies of global PNV and its underlying mechanism in face of changing climate,as revealed in this study,can significantly contribute to the development of strategies for mitigating warming and promoting re-vegetation in degraded regions worldwide.展开更多
The exploitation of high performance redox-active substances is critically important for the development of non-aqueous redoxflow batteries.Herein,three tetrathiofulvalene(TTF)derivatives with different substitution gr...The exploitation of high performance redox-active substances is critically important for the development of non-aqueous redoxflow batteries.Herein,three tetrathiofulvalene(TTF)derivatives with different substitution groups,namely TTF diethyl ester(TTFDE),TTF tetramethyl ester(TTFTM),and TTF tetraethyl ester(TTFTE),are prepared and their energy storage properties are evaluated.It has been found that the redox potential and solubility of these TTF derivatives in conventional carbonate electrolytes increases with the number of ester groups.The battery with a catholyte of 0.2 mol L^(-1) of TTFTE delivers a specific capacity of more than 10 Ah L^(-1) at the current density of 0.5 C with two discharge voltage platforms locating at as high as 3.85 and 3.60 V vs.Li/Liþ.Its capacity retention can be improved from 2.34 Ah L^(-1) to 3.60 Ah L^(-1) after 100 cycles by the use of an anion exchange membrane to block the crossover of TTF species.The excellent cycling stability of the TIF esters is supported by their well-delocalized electrons,as revealed by the density function theory calculations.Therefore,the introduction of more and larger electron-withdrawing groups is a promising strategy to simultaneously increase the redox-potential and solubility of redox-active ma-terials for non-aqueous redoxflow batteries.展开更多
Regeneration status of tree species along elevation gradient in temperate hill forest was not understood greatly.Present research examined the tree diversity and its regeneration patterns along an elevation gradient i...Regeneration status of tree species along elevation gradient in temperate hill forest was not understood greatly.Present research examined the tree diversity and its regeneration patterns along an elevation gradient in temperate hill forest,central Nepal.Data were collected from 300 sample plots within vertical elevation bands of 10,ranging from 1365 to 2450 m asl.A random sampling method was used for data collection in three seasons,winter,pre-monsoon and post monsoon seasons.Diameter at breast height(DBH)was used to broadly categorize the plant individual into trees,saplings and seedlings.The tree species richness ranged from 12 to 25 with density of 350 to 1200 individuals per hectare.Species richness of tree and sapling showed statistically significant unimodal pattern,which peaked at mid-elevation.Elevation showed a strong and positive linear correlation with the seedling density(Deviance=0.99,p<0.001)and a significant hump-shaped relationship with sapling density(Deviance=0.95,p<0.001).Similarly,elevations showed a statistically significant negative hump-shaped relationship with all trees,saplings and seedling stages(Deviances=0.89,0.87 and 0.57).The highest values of the Shannon-Wiener index and the lowest value of the Simpson index were found at mid-elevation for all growth forms.Nearly 92%of tree species were found at regenerating stage;49%in a good renewal regeneration status,32%in fair renewal regeneration,and 11%at a poor regenerating condition.Nevertheless,4%of tree species were reported as non-regenerating stages and 4%were newly introduced species.Hence,the regeneration status of the study area was considered fairly well since sapling(78.5%)>seedling(10.6%)≤mature(10.9%).Among tested environmental variables,elevation and annual mean rainfall were the most influential factors in the regeneration of tree species.展开更多
The bamboo industry in Central Luzon holds significant promise for economic development and environmental sustainability. This study aims to analyze the internal and external factors influencing the bamboo industry in...The bamboo industry in Central Luzon holds significant promise for economic development and environmental sustainability. This study aims to analyze the internal and external factors influencing the bamboo industry in the region through SWOT and PESTLE analyses. Based on a focus group discussion involving key industry players, the study explores the industry’s strengths, weaknesses, opportunities, and threats, as well as political, economic, social, technological, legal, and environmental factors. Findings reveal the importance of comprehensive strategies that address political stability, economic growth, consumer awareness, technological advancement, legal compliance, and environmental sustainability. Recommendations include capacity-building for production and marketing, the establishment of bamboo treatment facilities, and advocacy for supportive policies. By addressing these factors, the bamboo industry in Central Luzon can realize its potential for socio-economic development and environmental stewardship.展开更多
Kerogen types exert a decisive effect on the onset and capacity of hydrocarbon generation of source rocks.Lacustrine source rocks in the Liaohe Western Depression are characterized by thick deposition,high total organ...Kerogen types exert a decisive effect on the onset and capacity of hydrocarbon generation of source rocks.Lacustrine source rocks in the Liaohe Western Depression are characterized by thick deposition,high total organic carbon(TOC)content,various kerogen types,and a wide range of thermal maturity.Consequently,their hydrocarbon generation potential and resource estimation can be misinterpreted.In this study,geochemical tests,numerical analysis,hydrocarbon generation kinetics,and basin modeling were integrated to investigate the differential effects of kerogen types on the hydrocarbon generation potential of lacustrine source rocks.Optimized hydrocarbon generation and expulsion(HGE)models of different kerogen types were established quantitatively upon abundant Rock-Eval/TOC/vitrinite reflectance(R_(o))datasets.Three sets of good-excellent source rocks deposited in the fourth(Es4),third(Es3),and first(Es1)members of Paleogene Shahejie Formation,are predominantly types I-II_(1),II_(1)-II_(2),and II-III,respectively.The activation energy of types I-II_(2)kerogen is concentrated(180-230 kcal/mol),whereas that of type III kerogen is widely distributed(150-280 kcal/mol).The original hydrocarbon generation potentials of types I,II_(1),II_(2),and III kerogens are 790,510,270,and 85 mg/g TOC,respectively.The Ro values of the hydrocarbon generation threshold for type I-III source rocks gradually increase from 0.42%to 0.74%,and Ro values of the hydrocarbon expulsion threshold increase from 0.49%to 0.87%.Types I and II_(1)source rocks are characterized by earlier hydrocarbon generation,more rapid hydrocarbon expulsion,and narrower hydrocarbon generation windows than types II_(2)and III source rocks.The kerogen types also affect the HGE history and resource potential.Three types(conventional,tight,and shale oil/gas)and three levels(realistic,expected,and prospective)of hydrocarbon resources of different members in the Liaohe Western Depression are evaluated.Findings suggest that the Es3 member has considerable conventional and unconventional hydrocarbon resources.This study can quantitatively characterize the hydrocarbon generation potential of source rocks with different kerogen types,and facilitate a quick and accurate assessment of hydrocarbon resources,providing strategies for future oil and gas exploration.展开更多
Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction...Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction(VCI). Based on an iterative algorithm, the surfaces(SURF) program adds automatic points to the lattice representation of the potential function, the one-dimensional and two-dimensional PESs are calculated after reaching a convergence threshold, finally the smooth image of the potential energy surface is fitted. The PESs accurately account for the interaction between the different modes, with the mode q_(6) symmetrical stretching vibrations having the greatest effect on the potential energy change of the whole system throughout the potential energy surface shift. The anharmonic frequencies are obtained when the VCI matrix is diagonalized. Fundamental frequencies, overtones, and combination bands of NF_(3)^(+) are calculated, which generate the degenerate phenomenon between their frequencies. Finally, the calculated anharmonic frequency is used to plot the infrared spectra.Modal antisymmetric stretching ν_(5) and symmetric stretching ν_(6) exhibit a phenomenon of large-intensity borrowing. This study can provide data to support the characterization in the laboratory.展开更多
The optical potential ambiguity is a long-standing problem in the analysis of elastic scattering data.For a specific collid-ing system,ambiguous potential families can lead to different behaviors in the nearside and f...The optical potential ambiguity is a long-standing problem in the analysis of elastic scattering data.For a specific collid-ing system,ambiguous potential families can lead to different behaviors in the nearside and farside scattering components.By contrast,the envelope method can decompose the experimental data into two components with negative and positive deflection angles,respectively.Hence,a question arises as to whether the comparison between the calculated nearside(or farside)component and the derived positive-deflection-angle(or negative-deflection-angle)component can help analyze the potential ambiguity problem.In this study,we conducted a trial application of the envelope method to the potential ambiguity problem.The envelope method was improved by including uncertainties in the experimental data.The colliding systems of 16O+28Si at 215.2 MeV and 12C+12C at 1016 MeV were considered in the analyses.For each colliding system,the angular distribution experimental data were described nearly equally well by two potential sets,one of which is“surface transpar-ent”and the other is refractive.The calculated angular distributions were decomposed into nearside and farside scattering components.Using the improved envelope method,the experimental data were decomposed into the positive-deflection-angle and negative-deflection-angle components,which were then compared with the calculated nearside and farside components.The capability of the envelope method to analyze the potential ambiguities was also discussed.展开更多
基金funded by the State Key Petroleum Lab of Petroleum Resources and Prospecting at China University of Petroleum (Beijing)
文摘The Paleocene mudrocks in Ghana’s Tano Basin have received limited attention despite ongoing efforts to explore hydrocarbon resources.A thorough geochemical analysis is imperative to assess these mudrocks’petroleum generation potential and formulate effective exploration strategies.In this study,a comprehensive geochemical analysis was carried out on ten Paleocene rock cuttings extracted from TP-1,a discovery well within the Tano Basin.Various analytical techniques,including total organic carbon(TOC)analysis,Rock–Eval pyrolysis,gas chromatography-mass spectrometry,and isotope ratio-mass spectrometry,were employed to elucidate their hydrocar-bon potential and organic facies.Thefindings in this study were subsequently compared to existing geochemical data on Paleocene source rocks in the South Atlantic marginal basins.The results indicated that the Paleocene samples have TOC content ranging from 0.68 to 2.93 wt%.The prevalent kerogen types identified in these samples were Type Ⅱ and Type Ⅲ.Molecular and isotope data suggest that the organic matter found in the Paleocene mudrocks can be traced back to land plants and lower aquatic organisms.These mudrocks were deposited in a transi-tional environment withfluctuating water salinity,charac-terized by sub-oxic redox conditions.Maturity indices,both bulk and molecular,indicated a spectrum of maturity levels within the Paleocene mudrocks,spanning from immature to marginally mature,with increasing maturity observed with greater depth.In comparison,the organic composition and depositional environments of Paleocene source rocks in the Tano Basin closely resemble those found in the Niger Delta Basin,Douala,and Kribi-Campo Basins,the Kwanza Formation in Angola,and certain Brazilian marginal basins.However,it is worth noting that Paleocene source rocks in some of the basins,such as the Niger Delta and Brazilian marginal basins,exhibit rela-tively higher thermal maturity levels compared to those observed in the current Paleocene samples from the Tano Basin.In conclusion,the comprehensive geochemical analysis of Paleocene mudrocks within Ghana’s Tano Basin has unveiled their marginal hydrocarbon generation potential.The shared geochemical characteristics between the Paleocene mudrocks in the Tano Basin and those in the nearby South Atlantic marginal basins offer valuable insights into source rock quality,which is crucial for shaping future strategies in petroleum exploration in this region.
基金supported by the National Natural Science Foundation of China(T2322015,22209094,22209093,and 22109086)the National Key Research and Development Program(2021YFB2500300)+2 种基金the Open Research Fund of CNMGE Platform&NSCC-TJOrdos-Tsinghua Innovative&Collaborative Research Program in Carbon Neutralitythe Tsinghua University Initiative Scientific Research Program。
文摘Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium batteries.However,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very lacking.Herein,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an example.An interface model was developed,incorporating the electrode potential and atom electronegativities.As a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic level.Specifically,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,respectively.Such preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+deposition.This CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.
基金supported in part by National Institutes of Health grants,R01AR068279(NIAMS),STTR R42EY031196(NEI),and STTR 1R41AG057242(NIA)(to HD).
文摘Neurological disorders and injuries lead to the impairment or depletion of neurons in terms of quantity,structure,or function,resulting in the loss of cognitive,emotional,and physical abilities in human beings.This,in turn,accompanies the shortfall of valuable human resources and economic potential,causing a detriment to society.Addressing these challenges,therefore,becomes imperative not only from a humanitarian perspective but also as a means of preserving human capital and bolstering economic prosperity.
基金supported by the Ministry of Science and Innovation and the Spanish Research Agency through FEDER funds (PID2021-1261520B-100) (MICINN/AEI/FEDER, EU)CBM receives an institutional grant from the Fundación Ramón Areces, Spain。
文摘The word “senescence” comes from the Latin senescens, meaning “to begin to age”, and is characterized by a long-lasting but reversible block in proliferation, resulting from stress-induced cell cycle arrest of previously replication-competent cells.
文摘Abnormal SEP reflects dysfunction of the medial lemniscus and posterior cervical cord. These structures are likely to be affected in Chiari malformation. Therefore, SEP abnormalities may provide valuable information in patients with CM. However, the consistency of SEP abnormality or normality with the damage is a matter of research. Knowing whether median nerve somatosensory evoked potential (SEP) is useful in revealing subclinical damage in patients with Chiari malformation is important in the treatment and follow-up plan of the disease. The aim of this study was to investigate the relationship between median nerve SEP values and the severity of cerebellar ectopia in patients with Chiari type 1 malformation. Median nerve SEP values were obtained from 30 healthy individuals and 146 individuals with Chiari malformation. The cerebellar ectopia degree and McRae line length were measured. SEP values were not significantly different between groups. The McRae line was found to be significantly shorter in the control group than in the Chiari malformation group (p = 0.031). There was no correlation between the degree of cerebellar ectopia and the length of the McRae line (r = 0.002, p = 0.979). Neither cerebellar ectopy degree nor McRae line length had a relationship with SEP values (r = -0.153, p = 0.066;r = -0.056, p = 0.500, respectively). There was no difference in cerebellar ectopy degree or SEP values between the groups with cerebellar ectopy with and without a syrinx (p = 0.899;p = 0.080, respectively). Likewise, McRae line length was not found to be related to the presence of a syrinx (p = 0.139). Median nerve SEP examination was not beneficial for diagnosing asymptomatic-oligosymptomatic Chiari malformation as a subclinical injury, whether accompanied by syringomyelia or not.
基金supported by the NSFC(12101012)the PhD Scientific Research Start-up Foundation of Anhui Normal University.Zeng’s research was supported by the NSFC(11961160716,11871054,12131017).
文摘In this article, we study the smoothing effect of the Cauchy problem for the spatially homogeneous non-cutoff Boltzmann equation for hard potentials. It has long been suspected that the non-cutoff Boltzmann equation enjoys similar regularity properties as to whose of the fractional heat equation. We prove that any solution with mild regularity will become smooth in Gevrey class at positive time, with a sharp Gevrey index, depending on the angular singularity. Our proof relies on the elementary L^(2) weighted estimates.
文摘The study involved the evaluation of the hydrocarbon potential of FORMAT Field, coastal swamp depobelt Niger delta, Nigeria to obtain a more efficient reservoir characterization and fluid properties identification. Despite advances in seismic data interpretation using traditional 3D seismic data interpretation, obtaining adequate reservoir characteristics at the finest level had proved very challenging with often disappointing results. A method that integrates the amplitude variation with offfset (AVO) analysis is hereby proposed to better illuminate the reservoir. The Hampson Russell 10.3 was used to integrate and study the available seismic and well data. The reservoir of interest was delineated using the available suite of petrophysical data. This was marked by low gamma ray, high resistivity, and low acoustic impedance between a true subsea vertical depth (TVDss) range of 10,350 - 10,450 ft. The AVO fluid substitution yielded a decrease in the density values of pure gas (2.3 - 1.6 g/cc), pure oil (2.3 - 1.8 g/cc) while the Poisson pure brine increased (2.3 to 2.8 g/cc). Result from FORMAT 26 plots yielded a negative intercept and negative gradient at the top and a positive intercept and positive gradient at the Base which conforms to Class III AVO anomaly. FORMAT 30 plots yielded a negative intercept and positive gradient at the top and a positive intercept and negative gradient at the Base which conforms to class IV AVO anomaly. AVO attribute volume slices decreased in the Poisson ratio (0.96 to - 1.0) indicating that the reservoir contains hydrocarbon. The s-wave reflectivity and the product of the intercept and gradient further clarified that there was a Class 3 gas sand in the reservoir and the possibility of a Class 4 gas sand anomaly in that same reservoir.
基金Project supported by the A*STAR Computational Resource Centre through the use of its high-performance computing facilitiesfinancial support from the China Scholarship Council (Grant No.202206120136)。
文摘GeTe has attracted extensive research interest for thermoelectric applications.In this paper,we first train a neuroevolution potential(NEP)based on a dataset constructed by ab initio molecular dynamics,with the Gaussian approximation potential(GAP)as a reference.The phonon density of states is then calculated by two machine learning potentials and compared with density functional theory results,with the GAP potential having higher accuracy.Next,the thermal conductivity of a GeTe crystal at 300 K is calculated by the equilibrium molecular dynamics method using both machine learning potentials,and both of them are in good agreement with the experimental results;however,the calculation speed when using the NEP potential is about 500 times faster than when using the GAP potential.Finally,the lattice thermal conductivity in the range of 300 K-600 K is calculated using the NEP potential.The lattice thermal conductivity decreases as the temperature increases due to the phonon anharmonic effect.This study provides a theoretical tool for the study of the thermal conductivity of GeTe.
基金Project supported by the National Natural Science Foundation of China (Grant No.11905076)S&T Program of Hebei (Grant No.SZX2020034)。
文摘A novel emissive probe consisting of an oxide cathode coating is developed to achieve a low operating temperature and long service life.The properties of the novel emissive probe are investigated in detail,in comparison with a traditional tungsten emissive probe,including the operating temperature,the electron emission capability and the plasma potential measurement.Studies of the operating temperature and electron emission capability show that the tungsten emissive probe usually works at a temperature of 1800 K-2200 K while the oxide cathode emissive probe can function at about 1200 K-1400 K.In addition,plasma potential measurements using the oxide cathode emissive probe with different techniques have been accomplished in microwave electron cyclotron resonance plasmas with different discharge powers.It is found that a reliable plasma potential can be obtained using the improved inflection point method and the hot probe with zero emission limit method,while the floating point method is invalid for the oxide cathode emissive probe.
基金supported by the projects of China Agriculture Research System of MOF and MARA (Grant No.CARS-29-ZP-7)Outstanding Youth Science and Technology Fund of Henan Academy of Agricultural Sciences (Grant No.2022YQ08)。
文摘Water management is an important practice that affects fruit size and quality.Effective implementation of irrigation scheduling requires knowledge of the appropriate indicators and thresholds,which are established manly based on the effects of water deficits on final fruit quality.Few studies have focused on the real-time effects of water status on fruit and shoot growth.To establish soil water potential (ψ_(soil)) thresholds to trigger irrigation of peach at pivotal fruit developmental stages,photogrammetry,^(13)C labelling,and other techniques were used in this study to investigate real-time changes in stem diameter,fruit projected area,net leaf photosynthetic rate (P_(n)),and allocation of photoassimilates to fruit under soil water potential conditions ranging from saturation to stress in 6-year-old Shimizu hakuto’peach.Stem growth,fruit growth,and P_n exhibited gradually decreasing sensitivity to water deficits during fruit developmental stages I,II,and III.Stem diameter growth was significantly inhibited whenψ_(soil)dropped to-8.5,-7.6,and-5.4 k Pa,respectively.Fruit growth rate was low,reaching zero when theψ_(soil)was-9.0 to-23.1,-14.9 to-21.4,and-16.5 to-23.3 k Pa,respectively,and P_ndecreased significantly when theψ_(soil)reached-24.2,-22.7,and-20.4 kPa,respectively.In addition,more photoassimilates were allocated to fruit under moderateψ_(soil)conditions (-10.1 to-17.0 k Pa) than under otherψ_(soil)values.Our results revealed threeψ_(soil)thresholds,-10.0,-15.0,and-15.0 kPa,suitable for triggering irrigation during stages I,II,and III,respectively.These thresholds can be helpful for controlling excessive tree vigor,maintaining rapid fruit growth and leaf photosynthesis,and promoting the allocation of more photoassimilates to fruit.
文摘This research study explored the efficacy of leaf litter compost as a sustainable soil amendment with the objective of promoting soil health and mitigating the accumulation of potentially toxic elements. The investigation encompassed the impact of various organic compost amendments, including leaf compost, cow dung manure, kitchen waste compost, municipal organic waste compost, and vermicompost. The study employed Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to evaluate soil nutrient levels and concentrations of Potentially Toxic Elements (PTEs) such as arsenic, chromium, cadmium, mercury, lead, nickel, and lithium. The fertilization and bioremediation potential of these compost amendments are quantified using an indexing method. Results indicated a substantial increase in overall nutrient levels (carbon, nitrogen, phosphorus, potassium, and sulfur) in soils treated with leaf compost and other organic composts. Fertility indices (FI) are notably higher in compost-amended soils (ranging from 2.667 to 3.938) compared to those amended with chemical fertilizers (ranging from 2.250 to 2.813) across all soil samples. Furthermore, the mean concentrations of PTEs were significantly lower in soils treated with leaf compost and other organic compost amendments compared to those treated with chemical fertilizers amendments. The assessment through the indexing method revealed a high clean index (CI) for leaf compost amendment (ranging from 3.407 to 3.58), whereas the chemical fertilizer amendment exhibits a relatively lower CI (ranging from 2.78 to 3.20). Consequently, leaf compost and other organic composts exhibit the potential to enhance sustainable productivity, promoting soil health and environmental safety by improving nutrient levels and remediating potentially toxic elements in the soil.
基金supported by the National Research Foundation of Korea(NRF)grant funded by the Ministry of Science and ICT(No.2022M3J1A1085371)by the DGIST R&D programs of the Ministry of Science and ICT(23-ET-08 and 23-CoE-ET-01)supported by the Basic Science Research Program through the National Research Foundation of Korea(NRF)funded by the Ministry of Education(NRF-2018R1A6A1A03025340).
文摘Cu2ZnSn(S,Se)4(CZTSSe)solar cells have resource distribution and economic advantages.The main cause of their low efficiency is carrier loss resulting from recombination of photo-generated electron and hole.To overcome this,it is important to understand their electron-hole behavior characteristics.To determine the carrier separation characteristics,we measured the surface potential and the local current in terms of the absorber depth.The elemental variation in the intragrains(IGs)and at the grain boundaries(GBs)caused a band edge shift and bandgap(Eg)change.At the absorber surface and subsurface,an upward Ec and Ev band bending structure was observed at the GBs,and the carrier separation was improved.At the absorber center,both upward Ec and Ev and downward Ec-upward Ev band bending structures were observed at the GBs,and the carrier separation was degraded.To improve the carrier separation and suppress carrier recombination,an upward Ec and Ev band bending structure at the GBs is desirable.
文摘The aim of this review was to evaluate the therapeutic potential of exosomes, extracellular vesicles secreted by cells. They have emerged as potential therapeutic transporters for several diseases. This review provides an overview of exosomes’ therapeutic potential in cancer therapy and autoimmune conditions such as Coeliac Disease. The therapeutic effect is that the phospholipid-binding protein ANXA1 improves its anti-inflammatory properties. The review also analyzes the intricate processes of exosome production and composition ability to transport biomolecules such as proteins, microRNAs, and lipids, which promote intercellular communication and alter recipient cell behavior. Exosomes, linked to neurological disorders, cardiovascular disease, and cancer, present the means of targeted drug administration due to their innate specificity. Through genetic engineering and chemical modifications, exosomes can be tailored for specific purposes, demonstrating their versatility in targeted therapy. With ongoing research uncovering their therapeutic potential, exosomes present a promising frontier in novel medical treatments across various health conditions.
基金funded by the National Natural Science Foundation of China(grants No.30960264,31160475 and 42071258)Open Research Fund of TPESER(grant No.TPESER202208)+2 种基金Special Fund for Basic Scientific Research of Central Colleges,Chang’an University,China(grant No.300102353501)Natural Science Foundation of Gansu Province,China(grant No.22JR5RA857)Higher Education Novel Foundation of Gansu Province,China(grant No.2021B-130)。
文摘Potential natural vegetation(PNV)is a valuable reference for ecosystem renovation and has garnered increasing attention worldwide.However,there is limited knowledge on the spatio-temporal distributions,transitional processes,and underlying mechanisms of global natural vegetation,particularly in the case of ongoing climate warming.In this study,we visualize the spatio-temporal pattern and inter-transition procedure of global PNV,analyse the shifting distances and directions of global PNV under the influence of climatic disturbance,and explore the mechanisms of global PNV in response to temperature and precipitation fluctuations.To achieve this,we utilize meteorological data,mainly temperature and precipitation,from six phases:the Last Inter-Glacial(LIG),the Last Glacial Maximum(LGM),the Mid Holocene(MH),the Present Day(PD),2030(20212040)and 2090(2081–2100),and employ a widely-accepted comprehensive and sequential classification sy–stem(CSCS)for global PNV classification.We find that the spatial patterns of five PNV groups(forest,shrubland,savanna,grassland and tundra)generally align with their respective ecotopes,although their distributions have shifted due to fluctuating temperature and precipitation.Notably,we observe an unexpected transition between tundra and savanna despite their geographical distance.The shifts in distance and direction of five PNV groups are mainly driven by temperature and precipitation,although there is heterogeneity among these shifts for each group.Indeed,the heterogeneity observed among different global PNV groups suggests that they may possess varying capacities to adjust to and withstand the impacts of changing climate.The spatio-temporal distributions,mutual transitions and shift tendencies of global PNV and its underlying mechanism in face of changing climate,as revealed in this study,can significantly contribute to the development of strategies for mitigating warming and promoting re-vegetation in degraded regions worldwide.
基金supported by the National Natural Science Foundation of China(Nos:51503038 and 51873037).
文摘The exploitation of high performance redox-active substances is critically important for the development of non-aqueous redoxflow batteries.Herein,three tetrathiofulvalene(TTF)derivatives with different substitution groups,namely TTF diethyl ester(TTFDE),TTF tetramethyl ester(TTFTM),and TTF tetraethyl ester(TTFTE),are prepared and their energy storage properties are evaluated.It has been found that the redox potential and solubility of these TTF derivatives in conventional carbonate electrolytes increases with the number of ester groups.The battery with a catholyte of 0.2 mol L^(-1) of TTFTE delivers a specific capacity of more than 10 Ah L^(-1) at the current density of 0.5 C with two discharge voltage platforms locating at as high as 3.85 and 3.60 V vs.Li/Liþ.Its capacity retention can be improved from 2.34 Ah L^(-1) to 3.60 Ah L^(-1) after 100 cycles by the use of an anion exchange membrane to block the crossover of TTF species.The excellent cycling stability of the TIF esters is supported by their well-delocalized electrons,as revealed by the density function theory calculations.Therefore,the introduction of more and larger electron-withdrawing groups is a promising strategy to simultaneously increase the redox-potential and solubility of redox-active ma-terials for non-aqueous redoxflow batteries.
基金the University grant Commission, Kathmandu Nepal for partial financial assistance (Sand T 23-2076/77)
文摘Regeneration status of tree species along elevation gradient in temperate hill forest was not understood greatly.Present research examined the tree diversity and its regeneration patterns along an elevation gradient in temperate hill forest,central Nepal.Data were collected from 300 sample plots within vertical elevation bands of 10,ranging from 1365 to 2450 m asl.A random sampling method was used for data collection in three seasons,winter,pre-monsoon and post monsoon seasons.Diameter at breast height(DBH)was used to broadly categorize the plant individual into trees,saplings and seedlings.The tree species richness ranged from 12 to 25 with density of 350 to 1200 individuals per hectare.Species richness of tree and sapling showed statistically significant unimodal pattern,which peaked at mid-elevation.Elevation showed a strong and positive linear correlation with the seedling density(Deviance=0.99,p<0.001)and a significant hump-shaped relationship with sapling density(Deviance=0.95,p<0.001).Similarly,elevations showed a statistically significant negative hump-shaped relationship with all trees,saplings and seedling stages(Deviances=0.89,0.87 and 0.57).The highest values of the Shannon-Wiener index and the lowest value of the Simpson index were found at mid-elevation for all growth forms.Nearly 92%of tree species were found at regenerating stage;49%in a good renewal regeneration status,32%in fair renewal regeneration,and 11%at a poor regenerating condition.Nevertheless,4%of tree species were reported as non-regenerating stages and 4%were newly introduced species.Hence,the regeneration status of the study area was considered fairly well since sapling(78.5%)>seedling(10.6%)≤mature(10.9%).Among tested environmental variables,elevation and annual mean rainfall were the most influential factors in the regeneration of tree species.
文摘The bamboo industry in Central Luzon holds significant promise for economic development and environmental sustainability. This study aims to analyze the internal and external factors influencing the bamboo industry in the region through SWOT and PESTLE analyses. Based on a focus group discussion involving key industry players, the study explores the industry’s strengths, weaknesses, opportunities, and threats, as well as political, economic, social, technological, legal, and environmental factors. Findings reveal the importance of comprehensive strategies that address political stability, economic growth, consumer awareness, technological advancement, legal compliance, and environmental sustainability. Recommendations include capacity-building for production and marketing, the establishment of bamboo treatment facilities, and advocacy for supportive policies. By addressing these factors, the bamboo industry in Central Luzon can realize its potential for socio-economic development and environmental stewardship.
基金This research is supported by the Joint Fund of the National Natural Science Foundation of China(grant number U19B6003-02)the Cooperation Program of PetroChina Liaohe Oilfield Company(grant Number HX20180604)the AAPG Foundation Grants-in-Aid Program(grant number 22269437).This study has benefited considerably from PetroChina Liaohe Oilfield Company for data support.We also thank the editor and the anonymous reviewers for their professional suggestions and comments.
文摘Kerogen types exert a decisive effect on the onset and capacity of hydrocarbon generation of source rocks.Lacustrine source rocks in the Liaohe Western Depression are characterized by thick deposition,high total organic carbon(TOC)content,various kerogen types,and a wide range of thermal maturity.Consequently,their hydrocarbon generation potential and resource estimation can be misinterpreted.In this study,geochemical tests,numerical analysis,hydrocarbon generation kinetics,and basin modeling were integrated to investigate the differential effects of kerogen types on the hydrocarbon generation potential of lacustrine source rocks.Optimized hydrocarbon generation and expulsion(HGE)models of different kerogen types were established quantitatively upon abundant Rock-Eval/TOC/vitrinite reflectance(R_(o))datasets.Three sets of good-excellent source rocks deposited in the fourth(Es4),third(Es3),and first(Es1)members of Paleogene Shahejie Formation,are predominantly types I-II_(1),II_(1)-II_(2),and II-III,respectively.The activation energy of types I-II_(2)kerogen is concentrated(180-230 kcal/mol),whereas that of type III kerogen is widely distributed(150-280 kcal/mol).The original hydrocarbon generation potentials of types I,II_(1),II_(2),and III kerogens are 790,510,270,and 85 mg/g TOC,respectively.The Ro values of the hydrocarbon generation threshold for type I-III source rocks gradually increase from 0.42%to 0.74%,and Ro values of the hydrocarbon expulsion threshold increase from 0.49%to 0.87%.Types I and II_(1)source rocks are characterized by earlier hydrocarbon generation,more rapid hydrocarbon expulsion,and narrower hydrocarbon generation windows than types II_(2)and III source rocks.The kerogen types also affect the HGE history and resource potential.Three types(conventional,tight,and shale oil/gas)and three levels(realistic,expected,and prospective)of hydrocarbon resources of different members in the Liaohe Western Depression are evaluated.Findings suggest that the Es3 member has considerable conventional and unconventional hydrocarbon resources.This study can quantitatively characterize the hydrocarbon generation potential of source rocks with different kerogen types,and facilitate a quick and accurate assessment of hydrocarbon resources,providing strategies for future oil and gas exploration.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.52002318 and 22103061)。
文摘Potential energy surfaces(PESs), vibrational frequencies, and infrared spectra are calculated for NF_(3)^(+) using ab initio calculations, based on UCCSD(T)/cc-p VTZ combined with vibrational configuration interaction(VCI). Based on an iterative algorithm, the surfaces(SURF) program adds automatic points to the lattice representation of the potential function, the one-dimensional and two-dimensional PESs are calculated after reaching a convergence threshold, finally the smooth image of the potential energy surface is fitted. The PESs accurately account for the interaction between the different modes, with the mode q_(6) symmetrical stretching vibrations having the greatest effect on the potential energy change of the whole system throughout the potential energy surface shift. The anharmonic frequencies are obtained when the VCI matrix is diagonalized. Fundamental frequencies, overtones, and combination bands of NF_(3)^(+) are calculated, which generate the degenerate phenomenon between their frequencies. Finally, the calculated anharmonic frequency is used to plot the infrared spectra.Modal antisymmetric stretching ν_(5) and symmetric stretching ν_(6) exhibit a phenomenon of large-intensity borrowing. This study can provide data to support the characterization in the laboratory.
基金This work was supported by the National Natural Science Foundation of China(Nos.12005047 and U1832105).
文摘The optical potential ambiguity is a long-standing problem in the analysis of elastic scattering data.For a specific collid-ing system,ambiguous potential families can lead to different behaviors in the nearside and farside scattering components.By contrast,the envelope method can decompose the experimental data into two components with negative and positive deflection angles,respectively.Hence,a question arises as to whether the comparison between the calculated nearside(or farside)component and the derived positive-deflection-angle(or negative-deflection-angle)component can help analyze the potential ambiguity problem.In this study,we conducted a trial application of the envelope method to the potential ambiguity problem.The envelope method was improved by including uncertainties in the experimental data.The colliding systems of 16O+28Si at 215.2 MeV and 12C+12C at 1016 MeV were considered in the analyses.For each colliding system,the angular distribution experimental data were described nearly equally well by two potential sets,one of which is“surface transpar-ent”and the other is refractive.The calculated angular distributions were decomposed into nearside and farside scattering components.Using the improved envelope method,the experimental data were decomposed into the positive-deflection-angle and negative-deflection-angle components,which were then compared with the calculated nearside and farside components.The capability of the envelope method to analyze the potential ambiguities was also discussed.