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
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 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
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
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
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
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
In 2013,the World Health Organization defined perivascular epithelioid cell tumor(PEComa)as“a mesenchymal tumor which shows a local association with vessel walls and usually expresses melanocyte and smooth muscle mar...In 2013,the World Health Organization defined perivascular epithelioid cell tumor(PEComa)as“a mesenchymal tumor which shows a local association with vessel walls and usually expresses melanocyte and smooth muscle markers.”This generic definition seems to better fit the PEComa family,which includes angiomyolipoma,clear cell sugar tumor of the lung,lymphangioleiomyomatosis,and a group of histologically and immunophenotypically similar tumors that include primary extrapulmonary sugar tumor and clear cell myomelanocytic tumor.Clear cell tumors with this immunophenotypic pattern have also had their malignant variants described.When localizing to the liver,preoperative radiological diagnosis has proven to be very difficult,and most patients have been diagnosed with hepatocellular carcinoma,focal nodular hyperplasia,hemangioma,or hepatic adenoma based on imaging findings.Examples of a malignant variant of the liver have been described.Finally,reports of malignant variants of these lesions have increased in recent years.Therefore,we support the use of the Folpe criteria,which in 2005 established the criteria for categorizing a PEComa as benign,malignant,or of uncertain malignant potential.Although they are not considered ideal,they currently seem to be the best approach and could be used for the categorization of liver tumors.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
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
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
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 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
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
Transient receptor potential(TRP)channels are strongly associated with colon cancer development and progression.This study leveraged a multivariate Cox regression model on publicly available datasets to construct a TR...Transient receptor potential(TRP)channels are strongly associated with colon cancer development and progression.This study leveraged a multivariate Cox regression model on publicly available datasets to construct a TRP channels-associated gene signature,with further validation of signature in real world samples from our hospital treated patient samples.Kaplan-Meier(K-M)survival analysis and receiver operating characteristic(ROC)curves were employed to evaluate this gene signature’s predictive accuracy and robustness in both training and testing cohorts,respectively.Additionally,the study utilized the CIBERSORT algorithm and single-sample gene set enrichment analysis to explore the signature’s immune infiltration landscape and underlying functional implications.The support vector machine algorithm was applied to evaluate the signature’s potential in predicting chemotherapy outcomes.The findings unveiled a novel three TRP channels-related gene signature(MCOLN1,TRPM5,and TRPV4)in colon adenocarcinoma(COAD).The ROC and K-M survival curves in the training dataset(AUC=0.761;p=1.58e-05)and testing dataset(AUC=0.699;p=0.004)showed the signature’s robust predictive capability for the overall survival of COAD patients.Analysis of the immune infiltration landscape associated with the signature revealed higher immune infiltration,especially an increased presence of M2 macrophages,in high-risk group patients compared to their low-risk counterparts.High-risk score patients also exhibited potential responsiveness to immune checkpoint inhibitor therapy,evident through increased CD86 and PD-1 expression profiles.Moreover,the TRPM5 gene within the signature was highly expressed in the chemoresistance group(p=0.00095)and associated with poor prognosis(p=0.036)in COAD patients,highlighting its role as a hub gene of chemoresistance.Ultimately,this signature emerged as an independent prognosis factor for COAD patients(p=6.48e-06)and expression of model gene are validated by public data and real-world patients.Overall,this bioinformatics study provides valuable insights into the prognostic implications and potential chemotherapy resistance mechanisms associated with TRPs-related genes in colon cancer.展开更多
The well-developed coal electricity generation and coal chemical industries have led to huge carbon dioxide(CO_(2))emissions in the northeastern Ordos Basin.The geological storage of CO_(2) in saline aquifers is an ef...The well-developed coal electricity generation and coal chemical industries have led to huge carbon dioxide(CO_(2))emissions in the northeastern Ordos Basin.The geological storage of CO_(2) in saline aquifers is an effective backup way to achieve carbon neutrality.In this case,the potential of saline aquifers for CO_(2) storage serves as a critical basis for subsequent geological storage project.This study calculated the technical control capacities of CO_(2) of the saline aquifers in the fifth member of the Shiqianfeng Formation(the Qian-5 member)based on the statistical analysis of the logging and the drilling and core data from more than 200 wells in the northeastern Ordos Basin,as well as the sedimentary facies,formation lithology,and saline aquifer development patterns of the Qian-5 member.The results show that(1)the reservoirs of saline aquifers in the Qian-5 member,which comprise distributary channel sand bodies of deltaic plains,feature low porosities and permeabilities;(2)The study area hosts three NNE-directed saline aquifer zones,where saline aquifers generally have a single-layer thickness of 3‒8 m and a cumulative thickness of 8‒24 m;(3)The saline aquifers of the Qian-5 member have a total technical control capacity of CO_(2) of 119.25×10^(6) t.With the largest scale and the highest technical control capacity(accounting for 61%of the total technical control capacity),the Jinjie-Yulin saline aquifer zone is an important prospect area for the geological storage of CO_(2) in the saline aquifers of the Qian-5 member in the study area.展开更多
The microscopic global nucleon–nucleus optical model potential(OMP)proposed by Whitehead,Lim,and Holt,the WLH potential(Whitehead et al.,Phys Rev Lett 127:182502,2021),which was constructed in the framework of many-b...The microscopic global nucleon–nucleus optical model potential(OMP)proposed by Whitehead,Lim,and Holt,the WLH potential(Whitehead et al.,Phys Rev Lett 127:182502,2021),which was constructed in the framework of many-body per-turbation theory with state-of-the-art nuclear interactions from chiral effective field theory(EFT),was tested with(p,d)transfer reactions calculated using adiabatic wave approximation.The target nuclei included both stable and unstable nuclei,and the incident energies reached 200 MeV.The results were compared with experimental data and predictions using the phenomenological global optical potential of Koning and Delaroche,the KD02 potential.Overall,we found that the micro-scopic WLH potential described the(p,d)reaction angular distributions similarly to the phenomenological KD02 potential;however,the former was slightly better than the latter for radioactive targets.On average,the obtained spectroscopic factors(SFs)using both microscopic and phenomenological potentials were similar when the incident energies were below approxi-mately 120 MeV.However,their difference tended to increase at higher incident energies,which was particularly apparent for the doubly magic target nucleus 40Ca.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
The study titled“Transient receptor potential-related risk model predicts prognosis of hepatocellular carcinoma patients”is a significant contribution to hepatocellular carcinoma(HCC)research,highlighting the role o...The study titled“Transient receptor potential-related risk model predicts prognosis of hepatocellular carcinoma patients”is a significant contribution to hepatocellular carcinoma(HCC)research,highlighting the role of transient receptor potential(TRP)family genes in the disease’s progression and prognosis.Utilizing data from The Cancer Genome Atlas database,it establishes a new risk assessment model,emphasizing the interaction of TRP genes with tumor proliferation pathways,key metabolic reactions like retinol metabolism,and the tumor immune microenvironment.Notably,the overexpression of the TRPC1 gene in HCC correlates with poorer patient survival outcomes,suggesting its potential as a prognostic biomarker and a target for personalized therapy,particularly in strategies combining immunotherapy and anti-TRP agents.展开更多
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 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.
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.
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.
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.
文摘In 2013,the World Health Organization defined perivascular epithelioid cell tumor(PEComa)as“a mesenchymal tumor which shows a local association with vessel walls and usually expresses melanocyte and smooth muscle markers.”This generic definition seems to better fit the PEComa family,which includes angiomyolipoma,clear cell sugar tumor of the lung,lymphangioleiomyomatosis,and a group of histologically and immunophenotypically similar tumors that include primary extrapulmonary sugar tumor and clear cell myomelanocytic tumor.Clear cell tumors with this immunophenotypic pattern have also had their malignant variants described.When localizing to the liver,preoperative radiological diagnosis has proven to be very difficult,and most patients have been diagnosed with hepatocellular carcinoma,focal nodular hyperplasia,hemangioma,or hepatic adenoma based on imaging findings.Examples of a malignant variant of the liver have been described.Finally,reports of malignant variants of these lesions have increased in recent years.Therefore,we support the use of the Folpe criteria,which in 2005 established the criteria for categorizing a PEComa as benign,malignant,or of uncertain malignant potential.Although they are not considered ideal,they currently seem to be the best approach and could be used for the categorization of liver tumors.
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.
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.
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.
基金the Ethics Committee of University Magdeburg(Ethical code:33/0119.03.2001).
文摘Transient receptor potential(TRP)channels are strongly associated with colon cancer development and progression.This study leveraged a multivariate Cox regression model on publicly available datasets to construct a TRP channels-associated gene signature,with further validation of signature in real world samples from our hospital treated patient samples.Kaplan-Meier(K-M)survival analysis and receiver operating characteristic(ROC)curves were employed to evaluate this gene signature’s predictive accuracy and robustness in both training and testing cohorts,respectively.Additionally,the study utilized the CIBERSORT algorithm and single-sample gene set enrichment analysis to explore the signature’s immune infiltration landscape and underlying functional implications.The support vector machine algorithm was applied to evaluate the signature’s potential in predicting chemotherapy outcomes.The findings unveiled a novel three TRP channels-related gene signature(MCOLN1,TRPM5,and TRPV4)in colon adenocarcinoma(COAD).The ROC and K-M survival curves in the training dataset(AUC=0.761;p=1.58e-05)and testing dataset(AUC=0.699;p=0.004)showed the signature’s robust predictive capability for the overall survival of COAD patients.Analysis of the immune infiltration landscape associated with the signature revealed higher immune infiltration,especially an increased presence of M2 macrophages,in high-risk group patients compared to their low-risk counterparts.High-risk score patients also exhibited potential responsiveness to immune checkpoint inhibitor therapy,evident through increased CD86 and PD-1 expression profiles.Moreover,the TRPM5 gene within the signature was highly expressed in the chemoresistance group(p=0.00095)and associated with poor prognosis(p=0.036)in COAD patients,highlighting its role as a hub gene of chemoresistance.Ultimately,this signature emerged as an independent prognosis factor for COAD patients(p=6.48e-06)and expression of model gene are validated by public data and real-world patients.Overall,this bioinformatics study provides valuable insights into the prognostic implications and potential chemotherapy resistance mechanisms associated with TRPs-related genes in colon cancer.
基金funded by the Top 10 key scientific and technological projects of CHN Energy in 2021 entitled Research and Demonstration of Technology for Carbon Dioxide Capture and Energy Recycling Utilization(GJNYKJ[2021]No.128,No.:GJNY-21-51)the Carbon Neutrality College(Yulin)Northwest University project entitled Design and research of large-scale CCUS cluster construction in Yulin area,Shaanxi Province(YL2022-38-01).
文摘The well-developed coal electricity generation and coal chemical industries have led to huge carbon dioxide(CO_(2))emissions in the northeastern Ordos Basin.The geological storage of CO_(2) in saline aquifers is an effective backup way to achieve carbon neutrality.In this case,the potential of saline aquifers for CO_(2) storage serves as a critical basis for subsequent geological storage project.This study calculated the technical control capacities of CO_(2) of the saline aquifers in the fifth member of the Shiqianfeng Formation(the Qian-5 member)based on the statistical analysis of the logging and the drilling and core data from more than 200 wells in the northeastern Ordos Basin,as well as the sedimentary facies,formation lithology,and saline aquifer development patterns of the Qian-5 member.The results show that(1)the reservoirs of saline aquifers in the Qian-5 member,which comprise distributary channel sand bodies of deltaic plains,feature low porosities and permeabilities;(2)The study area hosts three NNE-directed saline aquifer zones,where saline aquifers generally have a single-layer thickness of 3‒8 m and a cumulative thickness of 8‒24 m;(3)The saline aquifers of the Qian-5 member have a total technical control capacity of CO_(2) of 119.25×10^(6) t.With the largest scale and the highest technical control capacity(accounting for 61%of the total technical control capacity),the Jinjie-Yulin saline aquifer zone is an important prospect area for the geological storage of CO_(2) in the saline aquifers of the Qian-5 member in the study area.
基金Supported by National Natural Science Foundation of China(Nos.U2067205 and 12205098)National Key Laboratory of Computational Physics(HX02021-35).
文摘The microscopic global nucleon–nucleus optical model potential(OMP)proposed by Whitehead,Lim,and Holt,the WLH potential(Whitehead et al.,Phys Rev Lett 127:182502,2021),which was constructed in the framework of many-body per-turbation theory with state-of-the-art nuclear interactions from chiral effective field theory(EFT),was tested with(p,d)transfer reactions calculated using adiabatic wave approximation.The target nuclei included both stable and unstable nuclei,and the incident energies reached 200 MeV.The results were compared with experimental data and predictions using the phenomenological global optical potential of Koning and Delaroche,the KD02 potential.Overall,we found that the micro-scopic WLH potential described the(p,d)reaction angular distributions similarly to the phenomenological KD02 potential;however,the former was slightly better than the latter for radioactive targets.On average,the obtained spectroscopic factors(SFs)using both microscopic and phenomenological potentials were similar when the incident energies were below approxi-mately 120 MeV.However,their difference tended to increase at higher incident energies,which was particularly apparent for the doubly magic target nucleus 40Ca.
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.
文摘The study titled“Transient receptor potential-related risk model predicts prognosis of hepatocellular carcinoma patients”is a significant contribution to hepatocellular carcinoma(HCC)research,highlighting the role of transient receptor potential(TRP)family genes in the disease’s progression and prognosis.Utilizing data from The Cancer Genome Atlas database,it establishes a new risk assessment model,emphasizing the interaction of TRP genes with tumor proliferation pathways,key metabolic reactions like retinol metabolism,and the tumor immune microenvironment.Notably,the overexpression of the TRPC1 gene in HCC correlates with poorer patient survival outcomes,suggesting its potential as a prognostic biomarker and a target for personalized therapy,particularly in strategies combining immunotherapy and anti-TRP agents.