We have calculated the electronic Structures of O-doped and N-doped r-TiAl using the firstprinciples discrete variational method (DVM) with the aim to understand the solution hardening effects of oxygen and nitrogen i...We have calculated the electronic Structures of O-doped and N-doped r-TiAl using the firstprinciples discrete variational method (DVM) with the aim to understand the solution hardening effects of oxygen and nitrogen in r-TiAl. Our combination analysis on the electronic density, density of states (DOS) and the local environment total bond orders (LTBO) will show that, X atom (X is O or N) can strongly bind with its six surrounding atoms via electronic hybridizations of Ti-3d/X-2p and Al-3p/X-2p. As a sequence, there forms a "hard" cohesive region around the impurity atom. A pinning model based on the calculations is proposed to explain the hardening effects. The consistent results are obtained between the present calculation and formal test experiments.展开更多
The mechanism of interaction relation between the rare-earth element Ce and elements Pb and Bi in Ag-based filler metal has been studied. The results show that the compounds CePb and CeBi with high melting point can b...The mechanism of interaction relation between the rare-earth element Ce and elements Pb and Bi in Ag-based filler metal has been studied. The results show that the compounds CePb and CeBi with high melting point can be easily produced between these three elements in the filler metal, which greatly limited the formation of the isolated phase Pb or Bi and also eliminated the bad effect of impurity elements Pb and Bi on the spreading property of Ag-based filler metal. The metallurgical and quantum-mechanical bond formation analysis show that a strong chemical affinity was existed between the rare-earth element Ce and impurity elements Pb and Bi, which was proved by the XRD analysis results.展开更多
An inductively coupled plasma mass spectrometry(ICP-MS) method was developed for the determination of Na, Mg, Al,K, Ca, Ti, Cr, Co, Ni, Cu, Ga, As, Mo, Ag, Cd and Pb in MnZn ferrites. The sample was digested by HNO3+H...An inductively coupled plasma mass spectrometry(ICP-MS) method was developed for the determination of Na, Mg, Al,K, Ca, Ti, Cr, Co, Ni, Cu, Ga, As, Mo, Ag, Cd and Pb in MnZn ferrites. The sample was digested by HNO3+HCl with microwave digestion followed by dilution with ultrapure water, then the above 16 impurity elements in the solution were analyzed directly by ICP-MS. The impurity elements were introduced by the helium gas or hydrogen gas into the octopole reaction system(ORS) to eliminate the polyatomic interferences caused by the high salty matrixes. The matrix effect was minimized through matrix matching,and Be, Y and Rh were used as internal standard elements. The working parameters of the instrument were optimized. The results show that the method has good precision and high accuracy. The detection limits for the investigated elements are in the range of0.9-37.5 ng/L, the relative standard deviation of each element is within 1.1%-4.8%, and the recovery of each element is 90%-108%.展开更多
Grain boundaries(GBs)have critical influences on the stability and properties of various materials.In this study,first-principles calculations were performed to determine the effects of four metallic impurities(Ni,Al,...Grain boundaries(GBs)have critical influences on the stability and properties of various materials.In this study,first-principles calculations were performed to determine the effects of four metallic impurities(Ni,Al,Bi,and Pb)and three nonmetallic impurities(H,O,and N)on the GBs of silicon carbide(SiC),using the ∑5(210)GBs as models.The GB energy and segregation energy(SE)were calculated to identify the effects of impurities on the GB stability.Electronic interactions considerably influenced the bonding effects of SiC.The formation of weak bonds resulted in the corrosion and embrittlement of GBs.The co-segregation of Bi,Pb,and O was also investigated in detail.展开更多
The organic matter(OM)enrichment mechanisms and depositional environment characteristics of lacustrine source rocks in the western Bozhong Sag,Bohai Bay Basin in Northeast China remain controversial.To address these i...The organic matter(OM)enrichment mechanisms and depositional environment characteristics of lacustrine source rocks in the western Bozhong Sag,Bohai Bay Basin in Northeast China remain controversial.To address these issues,based on Rock-Eval pyrolysis,kerogen macerals,H/C and O/C ratios,GC-MS,major and trace elements,the Dongying Formation Member(Mbr)3(E_(3)d_(3)),the Shahejie Formation mbrs 1 and 2(E_(2)s_(1+2)),and the Shahejie Mbr 3(E_(2)s_(3))source rocks in the western Bozhong Sag were studied.The above methods were used to reveal their geochemical properties,OM origins and depositional environments,all of which indicate that E_(2)s_(1+2)and E_(2)s_(3)are excellent source rocks,and that E_(3)d_(3)is of the second good quality.E_(3)d_(3)source rocks were formed under a warm and humid climate,mainly belong to fluvial/delta facies,the E_(3)d_(3)sediments formed under weakly oxidizing and freshwater conditions.Comparatively,the depositional environments of E_(2)s_(1+2)source rocks were arid and cold climate,representing saline or freshwater lacustrine facies,and the sediments of E_(2)s_(1+2)belong to anoxic or suboxic settings with large evaporation and salinity.During the period of E_(2)s_(3),the climate became warm and humid,indicating the freshwater lacustrine facies,and E_(2)s_(3)was characterized by freshwater and abundant algae.Moreover,compared with other intervals,the OM origin of E_(3)d_(3)source rocks has noticeable terrestrial input.The OM origin of the E_(2)s_(1+2)and E_(2)s_(3)are mainly plankton and bacteria.Tectonic subsidence and climate change have affected the changes of the depositional environment in the western Bozhong Sag,thus controlling the distribution of the source rocks,the geochemical characteristics in the three intervals of lacustrine source rocks have distinct differences.Overall,these factors are effective to evaluate the paleoenvironmental characteristics of source rocks by biomarkers,major and trace elements.The established models may have positive implications for research of lacustrine source rocks in offshore areas with few drillings.展开更多
The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic...The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic electrons.The simulations use an extended fluid code(ExFC)based on a four-field gyro-Landau-fluid(GLF)model.The multispecies form of the normalized GLF equations is presented,which guarantees the self-consistent evolution of both bulk ions and impurities.With parametric profiles of the cyclone base case,well-benchmarked ExFC is employed to perform simulations focusing on different impurity density profiles.For a fixed temperature profile,it is found that the turbulent heat diffusivity of bulk ions in a quasi-steady state is usually lower than that without impurities,which is contrary to the linear and quasilinear predictions.The evolutions of the temperature gradient and heat diffusivity exhibit a fast relaxation process,indicating that the destabilization of the outwardly peaked impurity profile is a transient state response.Furthermore,the impurity effects from different profiles can obviously influence the nonlinear critical temperature gradient,which is likely to be dominated by linear effects.These results suggest that the improvement in plasma confinement could be attributed to the impurities,most likely through adjusting both heat diffusivity and the critical temperature gradient.展开更多
The boundary element method(BEM)is a popular method for solving acoustic wave propagation problems,especially those in exterior domains,owing to its ease in handling radiation conditions at infinity.However,BEM models...The boundary element method(BEM)is a popular method for solving acoustic wave propagation problems,especially those in exterior domains,owing to its ease in handling radiation conditions at infinity.However,BEM models must meet the requirement of 6–10 elements per wavelength,using the conventional constant,linear,or quadratic elements.Therefore,a large storage size of memory and long solution time are often needed in solving higher-frequency problems.In this work,we propose two new types of enriched elements based on conventional constant boundary elements to improve the computational efficiency of the 2D acoustic BEM.The first one uses a plane wave expansion,which can be used to model scattering problems.The second one uses a special plane wave expansion,which can be used tomodel radiation problems.Five examples are investigated to showthe advantages of the enriched elements.Compared with the conventional constant elements,the new enriched elements can deliver results with the same accuracy and in less computational time.This improvement in the computational efficiency is more evident at higher frequencies(with the nondimensional wave numbers exceeding 100).The paper concludes with the potential of our proposed enriched elements and plans for their further improvement.展开更多
Element superconductors with the single atoms provide clean and fundamental platforms for studying superconductivity.Although elements with d electrons are usually not favored by conventional BCS,the record supercondu...Element superconductors with the single atoms provide clean and fundamental platforms for studying superconductivity.Although elements with d electrons are usually not favored by conventional BCS,the record superconducting critical temperature(T_(c))in element scandium(S_(c))has further ignited the intensive attention on transition metals.The element molybdenum(M_o)with a half-full d-orbital is studied in our work,which fills the gap in the study of Mo under high pressure and investigates the pressure dependence of superconductivity.In this work,we exhibit a robust superconductivity of Mo in the pressure range of 5 GPa to 160 GPa via high-pressure electrical transport measurements,the T_(c) varies at a rate of0.013 K/GPa to 8.56 K at 160 GPa.Moreover,the superconductivity is evidenced by the T_(c) shifting to lower temperature under applied magnetic fields,and the upper critical magnetic fields are extrapolated by the WHH equation and GL equation;the results indicate that the maximum upper critical magnetic field is estimated to be 8.24 T at 137 GPa.We further investigate the superconducting mechanism of Mo,the theoretical calculations indicate that the superconductivity can be attributed to the strong coupling between the electrons from the partially filled d band and the phonons from the frequency zone of 200-400 cm^(-1).展开更多
The accurate and efficient analysis of anisotropic heat conduction problems in complex composites is crucial for structural design and performance evaluation. Traditional numerical methods, such as the finite element ...The accurate and efficient analysis of anisotropic heat conduction problems in complex composites is crucial for structural design and performance evaluation. Traditional numerical methods, such as the finite element method(FEM), often face a trade-off between calculation accuracy and efficiency. In this paper, we propose a quasi-smooth manifold element(QSME) method to address this challenge, and provide the accurate and efficient analysis of two-dimensional(2D) anisotropic heat conduction problems in composites with complex geometry. The QSME approach achieves high calculation precision by a high-order local approximation that ensures the first-order derivative continuity.The results demonstrate that the QSME method is robust and stable, offering both high accuracy and efficiency in the heat conduction analysis. With the same degrees of freedom(DOFs), the QSME method can achieve at least an order of magnitude higher calculation accuracy than the traditional FEM. Additionally, under the same level of calculation error, the QSME method requires 10 times fewer DOFs than the traditional FEM. The versatility of the proposed QSME method extends beyond anisotropic heat conduction problems in complex composites. The proposed QSME method can also be applied to other problems, including fluid flows, mechanical analyses, and other multi-field coupled problems, providing accurate and efficient numerical simulations.展开更多
The Nigerian oil sands represent the largest oil sand deposit in Africa, yet there is little published information on the distribution and potential health and ecological risks of trace elements in the oil resource. I...The Nigerian oil sands represent the largest oil sand deposit in Africa, yet there is little published information on the distribution and potential health and ecological risks of trace elements in the oil resource. In the present study, we investigated the distribution pattern of 18trace elements(including biophile and chalcophile elements) as well as the estimated risks associated with exposure to these elements. The results of the study indicated that Fe was the most abundant element, with a mean concentration of 22,131 mg/kg while Br had the lowest mean concentration of 48 mg/kg. The high occurrence of Fe and Ti suggested a possible occurrence of ilmenite(Fe TiO_(3)) in the oil sands. Source apportionment using positive matrix factorization showed that the possible sources of detected elements in the oil sands were geogenic, metal production, and crustal. The contamination factor, geo-accumulation index, modified degree of contamination, pollution load index, and Nemerow pollution index indicated that the oil sands are heavily polluted by the elements. Health risk assessment showed that children were relatively more susceptible to the potentially toxic elements in the oil sands principally via ingestion exposure route(HQ > 1E-04). Cancer risks from inhalation are unlikely due to CR < 1E-06 but ingestion and dermal contact pose severe risks(CR > 1E-04). The high concentrations of the elements pose serious threats due to the potential for atmospheric transport, bioaccessibility, and bioavailability.展开更多
Regulatory sequences and transposable elements(TEs)account for a large proportion of the genomic sequences of species;however,their roles in gene transcription,especially tissue-specific expression,remain largely unkn...Regulatory sequences and transposable elements(TEs)account for a large proportion of the genomic sequences of species;however,their roles in gene transcription,especially tissue-specific expression,remain largely unknown.Pigs serve as an excellent animal model for studying genomic sequence biology due to the extensive diversity among their wild and domesticated populations.Here,we conducted an integrated analysis using H3K27ac ChIP-seq,H3K4me3 ChIP-seq,and RNA-seq data from 10 different tissues of seven fetuses and eight closely related adult pigs.We aimed to annotate the regulatory elements and TEs to elucidate their associations with histone modifications and mRNA expression across different tissues and developmental stages.Based on correlation analysis between mRNA expression and H3K27ac and H3K4me3 peak activity,results indicated that H3K27ac exhibited stronger associations with gene expression than H3K4me3.Furthermore,1.45%of TEs overlapped with either the H3K27ac or H3K4me3 peaks,with the majority displaying tissue-specific activity.Notably,a TE subfamily(LTR4C_SS),containing binding motifs for SIX1 and SIX4,showed specific enrichment in the H3K27ac peaks of the adult and fetal ovaries.RNA-seq analysis also revealed widespread expression of TEs in the exons or promoters of genes,including 4688 TE-containing transcripts with distinct development stage-specific and tissue-specific expression.Of note,1967 TE-containing transcripts were enriched in the testes.We identified a long terminal repeat(LTR),MLT1F1,acting as a testis-specific alternative promoter in SRPK2(a cell cycle-related protein kinase)in our pig dataset.This element was also conserved in humans and mice,suggesting either an ancient integration of TEs in genes specifically expressed in the testes or parallel evolutionary patterns.Collectively,our findings demonstrate that TEs are deeply embedded in the genome and exhibit important tissue-specific biological functions,particularly in the reproductive organs.展开更多
This study was focused to assess major and trace elements in bauxitic duricrusts from Ngaoundal and its surroundings in order to establish their mining interest. To this end, fieldworks, mineralogical and geochemical ...This study was focused to assess major and trace elements in bauxitic duricrusts from Ngaoundal and its surroundings in order to establish their mining interest. To this end, fieldworks, mineralogical and geochemical analyses were carried out. Four facies of duricrust were identified and characterized from the summit to the top of the slope of the Ngaoundal mountain: scoriaceous, pisolitic, nodular and massive. Mineralogical and geochemical analyses performed on 16 samples, revealed a significant concentration of Al<sub>2</sub>O<sub>3</sub> mainly in the scoriaceous facies (over 45% in grade), moderate in Fe<sub>2</sub>O<sub>3</sub> (averaging 23.69%) and SiO<sub>2</sub> (averaging 21.7%). Trace elements were generally low, excluding Cr (421 ppm on average), Zr (327 ppm on average and V (213 ppm on average). In addition, the limited quantities of alkalis (Na<sub>2</sub>O, K<sub>2</sub>O) and alkaline earths metals (MgO, CaO) coupled with the very high values of Chemical Index of Alteration (CIA) and Mineralogical Index of Alteration (MIA), (more than 99%) attest to the intense weathering of the studied materials. Allitization and monosiallitization constituted the crystallochemical phenomena that have led to the development of bauxitic minerals. More than 90% of gibbsite in scoriaceous facies, 52.21% - 76.01% of kaolinite in pisolitic facies and more than 40% of hematite in nodular facies were quantified. The relationships between the constitutive components indicated their interdependency during the bauxitization phenomenon. The mineralogical and geochemical properties highlighted the mining interest of the studied duricrusts to be valorized.展开更多
Understanding metal accumulation at organ level in roots, leaves and seeds in O. glaberrima (OG) is crucial for improving physiological and metabolic aspects in growing Asian and African rice in salted areas. The micr...Understanding metal accumulation at organ level in roots, leaves and seeds in O. glaberrima (OG) is crucial for improving physiological and metabolic aspects in growing Asian and African rice in salted areas. The micro-analytical imaging techniques are required to reveal its accumulation and distribution within plant tissues. PIXE studies have been performed to determine different elements in rice plants. The existing microbeam analytical technique at the iThemba LABS will be applied for the 2D image mapping of fresh rice tissues to perform a concentration of low atomic mass elements (such as Al, Si, P, S, Cl, Ca, Ti, Mn, Fe, Cu, Br, Zn and K) with detection limits of typically 1-10 μg/g. Comparison of the distribution of the elements between leaves, root and seed samples using uptake and distribution of elements in particular environmental conditions with potential amount of salt in water have been performed. We are also expecting to indicate metal exclusion as salt tolerance strategies from leaves, root, and seed compartments using matrix correlation between samples and between elements on rice species.展开更多
The variation of the principal stress of formations with the working and geo-mechanical conditions can trigger wellbore instabilities and adversely affect the well completion.A finite element model,based on the theory...The variation of the principal stress of formations with the working and geo-mechanical conditions can trigger wellbore instabilities and adversely affect the well completion.A finite element model,based on the theory of poro-elasticity and the Mohr-Coulomb rock damage criterion,is used here to analyze such a risk.The changes in wellbore stability before and after reservoir acidification are simulated for different pressure differences.The results indicate that the risk of wellbore instability grows with an increase in the production-pressure difference regardless of whether acidification is completed or not;the same is true for the instability area.After acidizing,the changes in the main geomechanical parameters(i.e.,elastic modulus,Poisson’s ratio,and rock strength)cause the maximum wellbore instability coefficient to increase.展开更多
Primary toppling usually occurs in layered rock slopes with large anti-dip angles.In this paper,the block toppling evolution was explored using a large-scale centrifuge system.Each block column in the layered model sl...Primary toppling usually occurs in layered rock slopes with large anti-dip angles.In this paper,the block toppling evolution was explored using a large-scale centrifuge system.Each block column in the layered model slope was made of cement mortar.Some artificial cracks perpendicular to the block column were prefabricated.Strain gages,displacement gages,and high-speed camera measurements were employed to monitor the deformation and failure processes of the model slope.The centrifuge test results show that the block toppling evolution can be divided into seven stages,i.e.layer compression,formation of major tensile crack,reverse bending of the block column,closure of major tensile crack,strong bending of the block column,formation of failure zone,and complete failure.Block toppling is characterized by sudden large deformation and occurs in stages.The wedge-shaped cracks in the model incline towards the slope.Experimental observations show that block toppling is mainly caused by bending failure rather than by shear failure.The tensile strength also plays a key factor in the evolution of block toppling.The simulation results from discrete element method(DEM)is in line with the testing results.Tensile stress exists at the backside of rock column during toppling deformation.Stress concentration results in the fragmented rock column and its degree is the most significant at the slope toe.展开更多
A new approach for flexoelectricmaterial shape optimization is proposed in this study.In this work,a proxymodel based on artificial neural network(ANN)is used to solve the parameter optimization and shape optimization...A new approach for flexoelectricmaterial shape optimization is proposed in this study.In this work,a proxymodel based on artificial neural network(ANN)is used to solve the parameter optimization and shape optimization problems.To improve the fitting ability of the neural network,we use the idea of pre-training to determine the structure of the neural network and combine different optimizers for training.The isogeometric analysis-finite element method(IGA-FEM)is used to discretize the flexural theoretical formulas and obtain samples,which helps ANN to build a proxy model from the model shape to the target value.The effectiveness of the proposed method is verified through two numerical examples of parameter optimization and one numerical example of shape optimization.展开更多
Aiming to analyze the damage mechanism of UTAO from the perspective of meso-mechanical mechanism using discrete element method(DEM),we conducted study of diseases problems of UTAO in several provinces in China,and fou...Aiming to analyze the damage mechanism of UTAO from the perspective of meso-mechanical mechanism using discrete element method(DEM),we conducted study of diseases problems of UTAO in several provinces in China,and found that aggregate spalling was one of the main disease types of UTAO.A discrete element model of UTAO pavement structure was constructed to explore the meso-mechanical mechanism of UTAO damage under the influence of layer thickness,gradation,and bonding modulus.The experimental results show that,as the thickness of UTAO decreasing,the maximum value and the mean value of the contact force between all aggregate particles gradually increase,which leads to aggregates more prone to spalling.Compared with OGFC-5 UTAO,AC-5 UTAO presents smaller maximum and average values of all contact forces,and the loading pressure in AC-5 UTAO is fully diffused in the lateral direction.In addition,the increment of pavement modulus strengthens the overall force of aggregate particles inside UTAO,resulting in aggregate particles peeling off more easily.The increase of bonding modulus changes the position where the maximum value of the tangential force appears,whereas has no effect on the normal force.展开更多
The mechanical properties of interfacial transition zones(ITZs)have traditionally been simplified by reducing the stiffness of cement in previous simulation methods.A novel approach based on the discrete element metho...The mechanical properties of interfacial transition zones(ITZs)have traditionally been simplified by reducing the stiffness of cement in previous simulation methods.A novel approach based on the discrete element method(DEM)has been developed for modeling concrete.This new approach efficiently simulates the meso-structure of ITZs,accurately capturing their heterogeneous properties.Validation against established uniaxial compression experiments confirms the precision of thismodel.The proposedmodel canmodel the process of damage evolution containing cracks initiation,propagation and penetration.Under increasing loads,cracks within ITZs progressively accumulate,culminating in macroscopic fractures that traverse themortarmatrix,forming the complex,serpentine path of cracks.This study reveals four distinct displacement patterns:tensile compliant,tensile opposite,mixed tensile-shear,and shear opposite patterns,each indicative of different stages in concrete’s damage evolution.The widening angle of these patterns delineates the progression of cracks,with the tensile compliant pattern signaling the initial crack appearance and the shear opposite pattern indicating the concrete model’s ultimate failure.展开更多
基金National Pandeng Research Project of China under the giant nUmberof 95-Yu-41 and the National Natural Science FOundationof
文摘We have calculated the electronic Structures of O-doped and N-doped r-TiAl using the firstprinciples discrete variational method (DVM) with the aim to understand the solution hardening effects of oxygen and nitrogen in r-TiAl. Our combination analysis on the electronic density, density of states (DOS) and the local environment total bond orders (LTBO) will show that, X atom (X is O or N) can strongly bind with its six surrounding atoms via electronic hybridizations of Ti-3d/X-2p and Al-3p/X-2p. As a sequence, there forms a "hard" cohesive region around the impurity atom. A pinning model based on the calculations is proposed to explain the hardening effects. The consistent results are obtained between the present calculation and formal test experiments.
文摘The mechanism of interaction relation between the rare-earth element Ce and elements Pb and Bi in Ag-based filler metal has been studied. The results show that the compounds CePb and CeBi with high melting point can be easily produced between these three elements in the filler metal, which greatly limited the formation of the isolated phase Pb or Bi and also eliminated the bad effect of impurity elements Pb and Bi on the spreading property of Ag-based filler metal. The metallurgical and quantum-mechanical bond formation analysis show that a strong chemical affinity was existed between the rare-earth element Ce and impurity elements Pb and Bi, which was proved by the XRD analysis results.
基金Supported bythe financial support of Sino-Romanian GovernmentalInternational Science and Technology Cooperation Projeet( No.37-11)the Scientific and Technological Project of Tackle Key Problemin Science and Technology Branch of Hunan Province ( No.00GKY2020 +4 种基金01GKY2027 03GKY2022)Key Project of Hunan Pro-vincial Educational Branch(No.02A040) Key Project of RegionalUniversityin Chinese Ministry of Education(No.204103)and Fundfor Returned Overseas Scholars ,China University of Geosciences(No.XLX04901)
文摘为杂质元素的决心的一个快速的方法在锰四氧化物的镍，公司，铬， Cu， Cd 和 Pb 例如 Zn，被开发，用感应耦合等离子体原子发射光谱法(1CP-AES ) 。象样品流量和射频事件力量那样的批评仪器的参数彻底地被优化。矩阵的效果也被检验。敏感用在矩阵的存在获得的刻度曲线被调查。为在大杯 cenren 的镍，公司，铬， Cu，和 Cd 的 Theobtained 恢复点 g~(-1) 水平为刻度标准使用的矩阵令人满意、实际上独立。Pb 和 Zn 的 Therecoveries 是不太足够的。方法能被申请在大杯中心的常规分析和质量管理目的点 g ~( 集中的 -1) 水平。
基金Project(21271187)supported by the National Natural Science Foundation of ChinaProject(cstc2013jcyj A10088)supported by the Chongqing Natural Science Foundation,China+1 种基金Projects(2013FJ3093,2013SK3268)supported by the Science and Technology Project of Hunan Province,ChinaProject(KJZH14217)supported by Achievement Transfer Education in Chongqing,China
文摘An inductively coupled plasma mass spectrometry(ICP-MS) method was developed for the determination of Na, Mg, Al,K, Ca, Ti, Cr, Co, Ni, Cu, Ga, As, Mo, Ag, Cd and Pb in MnZn ferrites. The sample was digested by HNO3+HCl with microwave digestion followed by dilution with ultrapure water, then the above 16 impurity elements in the solution were analyzed directly by ICP-MS. The impurity elements were introduced by the helium gas or hydrogen gas into the octopole reaction system(ORS) to eliminate the polyatomic interferences caused by the high salty matrixes. The matrix effect was minimized through matrix matching,and Be, Y and Rh were used as internal standard elements. The working parameters of the instrument were optimized. The results show that the method has good precision and high accuracy. The detection limits for the investigated elements are in the range of0.9-37.5 ng/L, the relative standard deviation of each element is within 1.1%-4.8%, and the recovery of each element is 90%-108%.
基金supported by the National Natural Science Foundation of China(Nos.11832019,11472313,11572355,and 11705264)the Science and Technology Plan Project of Guangdong Province(No.2020A0505020005)+2 种基金the Fundamental Research Funds for the Central Universities(No.19lgpy298)the State Key Laboratory of Powder MetallurgyCentral South University,Changsha,China。
文摘Grain boundaries(GBs)have critical influences on the stability and properties of various materials.In this study,first-principles calculations were performed to determine the effects of four metallic impurities(Ni,Al,Bi,and Pb)and three nonmetallic impurities(H,O,and N)on the GBs of silicon carbide(SiC),using the ∑5(210)GBs as models.The GB energy and segregation energy(SE)were calculated to identify the effects of impurities on the GB stability.Electronic interactions considerably influenced the bonding effects of SiC.The formation of weak bonds resulted in the corrosion and embrittlement of GBs.The co-segregation of Bi,Pb,and O was also investigated in detail.
基金funded by the“Key Scientific Issues and Innovative Technology Research on Oil and Gas Resource Exploration in China Sea Risk Exploration Area”(Grant No.CCL2022RCPS2017XNN)from CNOOC Research Institute,Beijing.
文摘The organic matter(OM)enrichment mechanisms and depositional environment characteristics of lacustrine source rocks in the western Bozhong Sag,Bohai Bay Basin in Northeast China remain controversial.To address these issues,based on Rock-Eval pyrolysis,kerogen macerals,H/C and O/C ratios,GC-MS,major and trace elements,the Dongying Formation Member(Mbr)3(E_(3)d_(3)),the Shahejie Formation mbrs 1 and 2(E_(2)s_(1+2)),and the Shahejie Mbr 3(E_(2)s_(3))source rocks in the western Bozhong Sag were studied.The above methods were used to reveal their geochemical properties,OM origins and depositional environments,all of which indicate that E_(2)s_(1+2)and E_(2)s_(3)are excellent source rocks,and that E_(3)d_(3)is of the second good quality.E_(3)d_(3)source rocks were formed under a warm and humid climate,mainly belong to fluvial/delta facies,the E_(3)d_(3)sediments formed under weakly oxidizing and freshwater conditions.Comparatively,the depositional environments of E_(2)s_(1+2)source rocks were arid and cold climate,representing saline or freshwater lacustrine facies,and the sediments of E_(2)s_(1+2)belong to anoxic or suboxic settings with large evaporation and salinity.During the period of E_(2)s_(3),the climate became warm and humid,indicating the freshwater lacustrine facies,and E_(2)s_(3)was characterized by freshwater and abundant algae.Moreover,compared with other intervals,the OM origin of E_(3)d_(3)source rocks has noticeable terrestrial input.The OM origin of the E_(2)s_(1+2)and E_(2)s_(3)are mainly plankton and bacteria.Tectonic subsidence and climate change have affected the changes of the depositional environment in the western Bozhong Sag,thus controlling the distribution of the source rocks,the geochemical characteristics in the three intervals of lacustrine source rocks have distinct differences.Overall,these factors are effective to evaluate the paleoenvironmental characteristics of source rocks by biomarkers,major and trace elements.The established models may have positive implications for research of lacustrine source rocks in offshore areas with few drillings.
基金supported by National Natural Science Foundation of China(Nos.U1967206 and 12275071)National Key R&D Program of China(No.2017YFE0301201)。
文摘The effects of impurities on ion temperature gradient(ITG)driven turbulence transport in tokamak core plasmas are investigated numerically via global simulations of microturbulence with carbon impurities and adiabatic electrons.The simulations use an extended fluid code(ExFC)based on a four-field gyro-Landau-fluid(GLF)model.The multispecies form of the normalized GLF equations is presented,which guarantees the self-consistent evolution of both bulk ions and impurities.With parametric profiles of the cyclone base case,well-benchmarked ExFC is employed to perform simulations focusing on different impurity density profiles.For a fixed temperature profile,it is found that the turbulent heat diffusivity of bulk ions in a quasi-steady state is usually lower than that without impurities,which is contrary to the linear and quasilinear predictions.The evolutions of the temperature gradient and heat diffusivity exhibit a fast relaxation process,indicating that the destabilization of the outwardly peaked impurity profile is a transient state response.Furthermore,the impurity effects from different profiles can obviously influence the nonlinear critical temperature gradient,which is likely to be dominated by linear effects.These results suggest that the improvement in plasma confinement could be attributed to the impurities,most likely through adjusting both heat diffusivity and the critical temperature gradient.
基金the National Natural Science Foundation of China(https://www.nsfc.gov.cn/,Project No.11972179)the Natural Science Foundation of Guangdong Province(http://gdstc.gd.gov.cn/,No.2020A1515010685)the Department of Education of Guangdong Province(http://edu.gd.gov.cn/,No.2020ZDZX2008).
文摘The boundary element method(BEM)is a popular method for solving acoustic wave propagation problems,especially those in exterior domains,owing to its ease in handling radiation conditions at infinity.However,BEM models must meet the requirement of 6–10 elements per wavelength,using the conventional constant,linear,or quadratic elements.Therefore,a large storage size of memory and long solution time are often needed in solving higher-frequency problems.In this work,we propose two new types of enriched elements based on conventional constant boundary elements to improve the computational efficiency of the 2D acoustic BEM.The first one uses a plane wave expansion,which can be used to model scattering problems.The second one uses a special plane wave expansion,which can be used tomodel radiation problems.Five examples are investigated to showthe advantages of the enriched elements.Compared with the conventional constant elements,the new enriched elements can deliver results with the same accuracy and in less computational time.This improvement in the computational efficiency is more evident at higher frequencies(with the nondimensional wave numbers exceeding 100).The paper concludes with the potential of our proposed enriched elements and plans for their further improvement.
基金Project supported by the National Key R&D Program of China (Grant No.2022YFA1405500)the National Natural Science Foundation of China (Grant Nos.52372257 and 52072188)+1 种基金the Program for Changjiang Scholars and Innovative Research Team in University (Grant No.IRT-15R23)the Zhejiang Provincial Science and Technology Innovation Team (Grant No.2021R01004)。
文摘Element superconductors with the single atoms provide clean and fundamental platforms for studying superconductivity.Although elements with d electrons are usually not favored by conventional BCS,the record superconducting critical temperature(T_(c))in element scandium(S_(c))has further ignited the intensive attention on transition metals.The element molybdenum(M_o)with a half-full d-orbital is studied in our work,which fills the gap in the study of Mo under high pressure and investigates the pressure dependence of superconductivity.In this work,we exhibit a robust superconductivity of Mo in the pressure range of 5 GPa to 160 GPa via high-pressure electrical transport measurements,the T_(c) varies at a rate of0.013 K/GPa to 8.56 K at 160 GPa.Moreover,the superconductivity is evidenced by the T_(c) shifting to lower temperature under applied magnetic fields,and the upper critical magnetic fields are extrapolated by the WHH equation and GL equation;the results indicate that the maximum upper critical magnetic field is estimated to be 8.24 T at 137 GPa.We further investigate the superconducting mechanism of Mo,the theoretical calculations indicate that the superconductivity can be attributed to the strong coupling between the electrons from the partially filled d band and the phonons from the frequency zone of 200-400 cm^(-1).
基金Project supported by the National Natural Science Foundation of China (Nos. 12102043, 12072375U2241240)the Natural Science Foundation of Hunan Province of China (Nos. 2023JJ40698 and 2021JJ40710)。
文摘The accurate and efficient analysis of anisotropic heat conduction problems in complex composites is crucial for structural design and performance evaluation. Traditional numerical methods, such as the finite element method(FEM), often face a trade-off between calculation accuracy and efficiency. In this paper, we propose a quasi-smooth manifold element(QSME) method to address this challenge, and provide the accurate and efficient analysis of two-dimensional(2D) anisotropic heat conduction problems in composites with complex geometry. The QSME approach achieves high calculation precision by a high-order local approximation that ensures the first-order derivative continuity.The results demonstrate that the QSME method is robust and stable, offering both high accuracy and efficiency in the heat conduction analysis. With the same degrees of freedom(DOFs), the QSME method can achieve at least an order of magnitude higher calculation accuracy than the traditional FEM. Additionally, under the same level of calculation error, the QSME method requires 10 times fewer DOFs than the traditional FEM. The versatility of the proposed QSME method extends beyond anisotropic heat conduction problems in complex composites. The proposed QSME method can also be applied to other problems, including fluid flows, mechanical analyses, and other multi-field coupled problems, providing accurate and efficient numerical simulations.
文摘The Nigerian oil sands represent the largest oil sand deposit in Africa, yet there is little published information on the distribution and potential health and ecological risks of trace elements in the oil resource. In the present study, we investigated the distribution pattern of 18trace elements(including biophile and chalcophile elements) as well as the estimated risks associated with exposure to these elements. The results of the study indicated that Fe was the most abundant element, with a mean concentration of 22,131 mg/kg while Br had the lowest mean concentration of 48 mg/kg. The high occurrence of Fe and Ti suggested a possible occurrence of ilmenite(Fe TiO_(3)) in the oil sands. Source apportionment using positive matrix factorization showed that the possible sources of detected elements in the oil sands were geogenic, metal production, and crustal. The contamination factor, geo-accumulation index, modified degree of contamination, pollution load index, and Nemerow pollution index indicated that the oil sands are heavily polluted by the elements. Health risk assessment showed that children were relatively more susceptible to the potentially toxic elements in the oil sands principally via ingestion exposure route(HQ > 1E-04). Cancer risks from inhalation are unlikely due to CR < 1E-06 but ingestion and dermal contact pose severe risks(CR > 1E-04). The high concentrations of the elements pose serious threats due to the potential for atmospheric transport, bioaccessibility, and bioavailability.
基金supported by the National Natural Science Foundation of China(32160781)。
文摘Regulatory sequences and transposable elements(TEs)account for a large proportion of the genomic sequences of species;however,their roles in gene transcription,especially tissue-specific expression,remain largely unknown.Pigs serve as an excellent animal model for studying genomic sequence biology due to the extensive diversity among their wild and domesticated populations.Here,we conducted an integrated analysis using H3K27ac ChIP-seq,H3K4me3 ChIP-seq,and RNA-seq data from 10 different tissues of seven fetuses and eight closely related adult pigs.We aimed to annotate the regulatory elements and TEs to elucidate their associations with histone modifications and mRNA expression across different tissues and developmental stages.Based on correlation analysis between mRNA expression and H3K27ac and H3K4me3 peak activity,results indicated that H3K27ac exhibited stronger associations with gene expression than H3K4me3.Furthermore,1.45%of TEs overlapped with either the H3K27ac or H3K4me3 peaks,with the majority displaying tissue-specific activity.Notably,a TE subfamily(LTR4C_SS),containing binding motifs for SIX1 and SIX4,showed specific enrichment in the H3K27ac peaks of the adult and fetal ovaries.RNA-seq analysis also revealed widespread expression of TEs in the exons or promoters of genes,including 4688 TE-containing transcripts with distinct development stage-specific and tissue-specific expression.Of note,1967 TE-containing transcripts were enriched in the testes.We identified a long terminal repeat(LTR),MLT1F1,acting as a testis-specific alternative promoter in SRPK2(a cell cycle-related protein kinase)in our pig dataset.This element was also conserved in humans and mice,suggesting either an ancient integration of TEs in genes specifically expressed in the testes or parallel evolutionary patterns.Collectively,our findings demonstrate that TEs are deeply embedded in the genome and exhibit important tissue-specific biological functions,particularly in the reproductive organs.
文摘This study was focused to assess major and trace elements in bauxitic duricrusts from Ngaoundal and its surroundings in order to establish their mining interest. To this end, fieldworks, mineralogical and geochemical analyses were carried out. Four facies of duricrust were identified and characterized from the summit to the top of the slope of the Ngaoundal mountain: scoriaceous, pisolitic, nodular and massive. Mineralogical and geochemical analyses performed on 16 samples, revealed a significant concentration of Al<sub>2</sub>O<sub>3</sub> mainly in the scoriaceous facies (over 45% in grade), moderate in Fe<sub>2</sub>O<sub>3</sub> (averaging 23.69%) and SiO<sub>2</sub> (averaging 21.7%). Trace elements were generally low, excluding Cr (421 ppm on average), Zr (327 ppm on average and V (213 ppm on average). In addition, the limited quantities of alkalis (Na<sub>2</sub>O, K<sub>2</sub>O) and alkaline earths metals (MgO, CaO) coupled with the very high values of Chemical Index of Alteration (CIA) and Mineralogical Index of Alteration (MIA), (more than 99%) attest to the intense weathering of the studied materials. Allitization and monosiallitization constituted the crystallochemical phenomena that have led to the development of bauxitic minerals. More than 90% of gibbsite in scoriaceous facies, 52.21% - 76.01% of kaolinite in pisolitic facies and more than 40% of hematite in nodular facies were quantified. The relationships between the constitutive components indicated their interdependency during the bauxitization phenomenon. The mineralogical and geochemical properties highlighted the mining interest of the studied duricrusts to be valorized.
文摘Understanding metal accumulation at organ level in roots, leaves and seeds in O. glaberrima (OG) is crucial for improving physiological and metabolic aspects in growing Asian and African rice in salted areas. The micro-analytical imaging techniques are required to reveal its accumulation and distribution within plant tissues. PIXE studies have been performed to determine different elements in rice plants. The existing microbeam analytical technique at the iThemba LABS will be applied for the 2D image mapping of fresh rice tissues to perform a concentration of low atomic mass elements (such as Al, Si, P, S, Cl, Ca, Ti, Mn, Fe, Cu, Br, Zn and K) with detection limits of typically 1-10 μg/g. Comparison of the distribution of the elements between leaves, root and seed samples using uptake and distribution of elements in particular environmental conditions with potential amount of salt in water have been performed. We are also expecting to indicate metal exclusion as salt tolerance strategies from leaves, root, and seed compartments using matrix correlation between samples and between elements on rice species.
基金This work is financially sponsored by Tarim Oilfield“Study on Adaptability Evaluation and Parameter Optimization of Completion Technology in Bozi Block,Tarim Oilfield”(Item Number:201021113436).
文摘The variation of the principal stress of formations with the working and geo-mechanical conditions can trigger wellbore instabilities and adversely affect the well completion.A finite element model,based on the theory of poro-elasticity and the Mohr-Coulomb rock damage criterion,is used here to analyze such a risk.The changes in wellbore stability before and after reservoir acidification are simulated for different pressure differences.The results indicate that the risk of wellbore instability grows with an increase in the production-pressure difference regardless of whether acidification is completed or not;the same is true for the instability area.After acidizing,the changes in the main geomechanical parameters(i.e.,elastic modulus,Poisson’s ratio,and rock strength)cause the maximum wellbore instability coefficient to increase.
基金The authors wish to thank National Key R&D Program of China(Grant No.2022YFC308100)the National Nature Science Foundation of China(Grant Nos.42107172 and 42072303)for financial support.
文摘Primary toppling usually occurs in layered rock slopes with large anti-dip angles.In this paper,the block toppling evolution was explored using a large-scale centrifuge system.Each block column in the layered model slope was made of cement mortar.Some artificial cracks perpendicular to the block column were prefabricated.Strain gages,displacement gages,and high-speed camera measurements were employed to monitor the deformation and failure processes of the model slope.The centrifuge test results show that the block toppling evolution can be divided into seven stages,i.e.layer compression,formation of major tensile crack,reverse bending of the block column,closure of major tensile crack,strong bending of the block column,formation of failure zone,and complete failure.Block toppling is characterized by sudden large deformation and occurs in stages.The wedge-shaped cracks in the model incline towards the slope.Experimental observations show that block toppling is mainly caused by bending failure rather than by shear failure.The tensile strength also plays a key factor in the evolution of block toppling.The simulation results from discrete element method(DEM)is in line with the testing results.Tensile stress exists at the backside of rock column during toppling deformation.Stress concentration results in the fragmented rock column and its degree is the most significant at the slope toe.
基金supported by a Major Research Project in Higher Education Institutions in Henan Province,with Project Number 23A560015.
文摘A new approach for flexoelectricmaterial shape optimization is proposed in this study.In this work,a proxymodel based on artificial neural network(ANN)is used to solve the parameter optimization and shape optimization problems.To improve the fitting ability of the neural network,we use the idea of pre-training to determine the structure of the neural network and combine different optimizers for training.The isogeometric analysis-finite element method(IGA-FEM)is used to discretize the flexural theoretical formulas and obtain samples,which helps ANN to build a proxy model from the model shape to the target value.The effectiveness of the proposed method is verified through two numerical examples of parameter optimization and one numerical example of shape optimization.
文摘Aiming to analyze the damage mechanism of UTAO from the perspective of meso-mechanical mechanism using discrete element method(DEM),we conducted study of diseases problems of UTAO in several provinces in China,and found that aggregate spalling was one of the main disease types of UTAO.A discrete element model of UTAO pavement structure was constructed to explore the meso-mechanical mechanism of UTAO damage under the influence of layer thickness,gradation,and bonding modulus.The experimental results show that,as the thickness of UTAO decreasing,the maximum value and the mean value of the contact force between all aggregate particles gradually increase,which leads to aggregates more prone to spalling.Compared with OGFC-5 UTAO,AC-5 UTAO presents smaller maximum and average values of all contact forces,and the loading pressure in AC-5 UTAO is fully diffused in the lateral direction.In addition,the increment of pavement modulus strengthens the overall force of aggregate particles inside UTAO,resulting in aggregate particles peeling off more easily.The increase of bonding modulus changes the position where the maximum value of the tangential force appears,whereas has no effect on the normal force.
基金funded by the Research Project Supported by Shanxi Scholarship Council of China(2022-067)the Opening Project of State Key Laboratory of Explosion Science and Technology(Beijing Institute of Technology)(KFJJ22-14M).
文摘The mechanical properties of interfacial transition zones(ITZs)have traditionally been simplified by reducing the stiffness of cement in previous simulation methods.A novel approach based on the discrete element method(DEM)has been developed for modeling concrete.This new approach efficiently simulates the meso-structure of ITZs,accurately capturing their heterogeneous properties.Validation against established uniaxial compression experiments confirms the precision of thismodel.The proposedmodel canmodel the process of damage evolution containing cracks initiation,propagation and penetration.Under increasing loads,cracks within ITZs progressively accumulate,culminating in macroscopic fractures that traverse themortarmatrix,forming the complex,serpentine path of cracks.This study reveals four distinct displacement patterns:tensile compliant,tensile opposite,mixed tensile-shear,and shear opposite patterns,each indicative of different stages in concrete’s damage evolution.The widening angle of these patterns delineates the progression of cracks,with the tensile compliant pattern signaling the initial crack appearance and the shear opposite pattern indicating the concrete model’s ultimate failure.
