The Martian core mainly contains iron,nickel and some light elements.However,controversies remain about the structure and chemical composition of the Martian core due to a lack of samples and marsquake data.Recently,t...The Martian core mainly contains iron,nickel and some light elements.However,controversies remain about the structure and chemical composition of the Martian core due to a lack of samples and marsquake data.Recently,the InSight lander collected long-term marsquake data,which improved the Martian interior structure model.B ased on the preliminary analysis of marsquake data,Mars has a molten liquid core with a radius of around 1700 km.As the Martian core has a smaller density and lower temperature than pure iron at corresponding pressure and temperature conditions,some light elements are introduced to reduce the density and liquidus temperature.With various methods for seismic analysis,in-situ high-pressure and high-temperature experiments,and first-principal calculations,the Martian core composition and evolution models have been updated in the past few years.Here,we review those studies on the light elements in the Martian core from four aspects including(1)high-temperature and high-pressure experiments,(2)marsquake data,(3)mineral physics model with molecular dynamics simulations and(4)cosmochemistry investigation.We discussed the effect of different light elements on the Martian core s density,sound velocity and liquidus temperature.Moreover,the review examines the varieties,abundances and forms of light elements in the Martian core.展开更多
Amorphous forms of C will first be compared and contrasted with amorphous Si, the differences in chemical bonding being emphasized in relation to atomic structure. After a brief discussion of ordered layers of graphit...Amorphous forms of C will first be compared and contrasted with amorphous Si, the differences in chemical bonding being emphasized in relation to atomic structure. After a brief discussion of ordered layers of graphite and of BN, some attention will be focused on BN cages and polymers and on C nanotubes. Finally properties of Na metal clusters will be discussed, including fission of such charged clusters展开更多
The effects of light elements on the elastic properties of disordered binary hcp-Fe alloys were investigated at high pressures using plane-wave density functional theory combined with the Monte Carlo special quasi-ran...The effects of light elements on the elastic properties of disordered binary hcp-Fe alloys were investigated at high pressures using plane-wave density functional theory combined with the Monte Carlo special quasi-random structure method.We found that the increase in the O content in hcp-Fe had a more pronounced effect on the sound velocity than Si,S,and C.The longitudinal wave velocity was decreased by∼6%with 2%O content,which was a much greater decrease than the values of 0.6%and 2%induced by the same content of Si and S,respectively,under high pressures.Compared with the other three light elements,the longitudinal wave velocity of the Fe-C alloy exhibited the most gradual decreasing with increasing C content.In addition,the effects of different O and S contents on the anisotropy of hcp-Fe alloys strongly depended on the variation in pressure,whereas the pressure only slightly affected the anisotropy of Fe-Si alloy systems.展开更多
At present, the use of rare earth elements（REEs） has become an inevitable necessity in many modern industries. In general, liquid extraction is the best commercial method for extracting REEs due to its ability to co...At present, the use of rare earth elements（REEs） has become an inevitable necessity in many modern industries. In general, liquid extraction is the best commercial method for extracting REEs due to its ability to control high volumes of liquids with electrical load. With the aim of improving a separation technology that would be superior to the existing extraction systems, the extraction behaviors of La（Ⅲ）,Pr（Ⅲ）, and Nd（Ⅲ） from an HCI medium with Cyanex 272 in the presence of the complexing agent lactic acid（HLac） and auxiliary agents citric acid（H3 Cit）, acetic acid（HAc）, and Titriplex Ⅲ have been reported.The effect of pH and lactic acid concentration has been examined. The use of lactic acid as a complexing agent leading to a high extraction of REEs with Cyanex 272 at pH = 5 was compared with systems without lactic acid. The results show that the use of acetic acid along with lactic acid leads to an increase in the extraction percentage of LREEs. While use of citric acid and Titriplex Ⅲ reduces the extraction percentage of LREEs. Finally, the presence of Titriplex Ⅲ together with lactic acid could lead to an increase in the separation factor of Pr and Nd.展开更多
The total content of light rare earth elements( LREEs) in the soil of navel orange orchards of Gannan area is greater than that of heavy rare earth elements( HREEs). Appropriate content of LREE can not only promote th...The total content of light rare earth elements( LREEs) in the soil of navel orange orchards of Gannan area is greater than that of heavy rare earth elements( HREEs). Appropriate content of LREE can not only promote the growth of navel oranges,and it is also conducive to human health. On the basis of exploring the correlations between the content of LREE in the soil of navel orange orchards of Gannan area and the contents of LREE in navel orange leaves and fruit,the influence mechanism of LREEs on the quality of navel oranges was revealed. In this study,with two Newhall navel orange orchards with different soil LREEs background levels in Xinfeng County as the research object,the changes in the content of LREE( lanthanum,La; cerium,Ce; praseodymium,Pr; neodymium,Nd) in leaves and fruit of navel orange at different growth stages were analyzed using Inductively Coupled Plasma-Mass Spectrometry( ICP-MS),and the correlations between the content of LREE in the soil,navel orange leaves and navel orange fruit were studied. The results showed that the contents of the four kinds of LREEs in the soil ranked as Ce > La > Nd > Pr,and there were significant differences among them( P < 0. 01). Navel orange leaves and fruit have selective and heterogenic absorption for LREEs. At different growth stages,La showed the highest accumulation amount in the leaves and fruit of navel orange; and the content of LREE in the leaves of navel orange increased first and then decreased,while that in the fruit of navel orange showed continuous decrease. During the migration of LREEs from soil to leaves to fruit,the content of LREE decreased rapidly as the migration distance increased. The accumulation amount of LREE in navel orange was positively correlated with the content of LREE in the soil. The correlation between the content of LREE in the leaves and fruit of navel orange was greatest. Among the four kinds of LREEs,the correlation of La was greatest,followed by Ce,indicating that the accumulation amount of LREE in the navel orange body was affected by the element types.展开更多
Noble metals have been widely used as heterogeneous catalysts because they exhibit high activity and selectivity for many reactions of both academic and industrial interest.The introduction of light atomic species(e.g...Noble metals have been widely used as heterogeneous catalysts because they exhibit high activity and selectivity for many reactions of both academic and industrial interest.The introduction of light atomic species(e.g.,H,B,C,and N)into noble metal lattices plays an important role in optimizing catalytic performance by modulating structural and electronic properties.In this review,we present a general overview of the recent advances in the modification of noble metals with light alloying elements for various catalytic reactions,particularly for energy‐related applications.We summarize the types,location,concentration,and ordering degree of light atoms as major factors in the performance of noble metal‐based catalysts,with emphasis on how they can be rationally controlled to promote activity and selectivity.We then summarize the synthetic strategies developed to incorporate light elements and highlight the theoretical and experimental methods for understanding the alloying effects.We further focus on the wide usage of noble metal‐based catalysts modified with different light alloying atoms and attempt to correlate the structural features with their catalytic performances.Finally,we discuss current challenges and future perspectives regarding the development of highly efficient noble metal‐based catalysts modified with light elements.展开更多
Hydrogen partitioning between liquid iron alloys and silicate melts governs its distribution and cycling in Earth’s deep interior.Existing models based on simplified Fe-H systems predict strong hydrogen sequestration...Hydrogen partitioning between liquid iron alloys and silicate melts governs its distribution and cycling in Earth’s deep interior.Existing models based on simplified Fe-H systems predict strong hydrogen sequestration into the core.However,these models do not account for the modulating effects of major light elements such as oxygen and silicon in the core during Earth’s primordial differentiation.In this study,we use first-principles molecular dynamics simulations,augmented by machine learning techniques,to quantify hydrogen chemical potentials in quaternary Fe-O-Si-H systems under early core-mantle boundary conditions(135 GPa,5000 K).Our results demonstrate that the presence of 5.2 wt%oxygen and 4.8 wt%silicon reduces the siderophile affinity of hydrogen by 35%,decreasing its alloy-silicate partition coefficient from 18.2(in the case of Fe-H)to 11.8(in the case of Fe-O-Si-H).These findings suggest that previous estimates of the core hydrogen content derived from binary system models require downward revision.Our study underscores the critical role of multicomponent interactions in core formation models and provides first-principles-derived constraints to reconcile Earth’s present-day hydrogen reservoirs with its accretionary history.展开更多
The analytical technique PIXE experiment for measuring light and heavy elements concentration inside different samples of soil and residual water collected in the region of Safi-El Jadida, where an industrial complex ...The analytical technique PIXE experiment for measuring light and heavy elements concentration inside different samples of soil and residual water collected in the region of Safi-El Jadida, where an industrial complex resided, was performed. The same method was used to investigate the presence of elements ranging from silicon to lead in different soils samples and seaweed collected upstream from the site of Safi-El Jadida industrial zone, inside lands and downstream of it, in the entrance of the Casablanca region. This study allows us to highlight the influence of activities of this industrial zone on the neighbouring areas the site.展开更多
The size effects of microstructure of lattice materials on structural analysis and minimum weight design are studied with extented multiscale finite element method（EMsFEM） in the paper. With the same volume of base ...The size effects of microstructure of lattice materials on structural analysis and minimum weight design are studied with extented multiscale finite element method（EMsFEM） in the paper. With the same volume of base material and configuration, the structural displacement and maximum axial stress of micro-rod of lattice structures with different sizes of microstructure are analyzed and compared.It is pointed out that different from the traditional mathematical homogenization method, EMsFEM is suitable for analyzing the structures which is constituted with lattice materials and composed of quantities of finite-sized micro-rods.The minimum weight design of structures composed of lattice material is studied with downscaling calculation of EMsFEM under stress constraints of micro-rods. The optimal design results show that the weight of the structure increases with the decrease of the size of basic sub-unit cells. The paper presents a new approach for analysis and optimization of lattice materials in complex engineering constructions.展开更多
Light element compounds under high pressure display intriguing properties and applications,owing to their diverse bonding patterns and crystalline structures.However,the system of ternary Be-C-O compounds under high p...Light element compounds under high pressure display intriguing properties and applications,owing to their diverse bonding patterns and crystalline structures.However,the system of ternary Be-C-O compounds under high pressure,as the lightest representative of the IIA-IVA-VIA family,remains largely unexplored.Using a machine-learning-accelerated crystal structure search and first-principles calculations,Be-C-O phase diagrams are investigated at pressures ranging from 0 to 100 GPa.Four ternary compounds are proposed to be stable at corresponding pressures:BeCO_(3),Be_(2)CO_(4),Be_(2)C_(4)O_(3),and BeC_(4)O_(2).Analyses of electronic structure and chemical bonding further reveal how the structural diversity of these compounds is induced.Remarkably,Be_(2)C_(4)O_(3) and BeC_(4)O_(2) are recoverable to ambient conditions and possess both high energy density and high hardness.The volumetric energy densities of Be_(2)C_(4)O_(3) and BeC_(4)O_(2) could approach 9.03 and 7.94 kJ/cm^(3),respectively.The Vickers hardnesses of Be_(2)C_(4)O_(3) and BeC_(4)O_(2) are found to be close to 39.58 and 51.57 GPa,respectively.These findings demonstrate the structural and functional diversity of Be-C-O compounds under high pressure,providing guidance for further exploration of the IIA-IVA-VIA compounds.展开更多
基金financially supported by the National Natural Science Foundation of China(grant no.42120104005)Guizhou Provincial 2021 Science and Technology Subsidies(grant no.GZ2021SIG)+1 种基金Guizhou Provincial Science and Technology Projects(grant nos.ZK[2024]087GCC[2023]060)。
文摘The Martian core mainly contains iron,nickel and some light elements.However,controversies remain about the structure and chemical composition of the Martian core due to a lack of samples and marsquake data.Recently,the InSight lander collected long-term marsquake data,which improved the Martian interior structure model.B ased on the preliminary analysis of marsquake data,Mars has a molten liquid core with a radius of around 1700 km.As the Martian core has a smaller density and lower temperature than pure iron at corresponding pressure and temperature conditions,some light elements are introduced to reduce the density and liquidus temperature.With various methods for seismic analysis,in-situ high-pressure and high-temperature experiments,and first-principal calculations,the Martian core composition and evolution models have been updated in the past few years.Here,we review those studies on the light elements in the Martian core from four aspects including(1)high-temperature and high-pressure experiments,(2)marsquake data,(3)mineral physics model with molecular dynamics simulations and(4)cosmochemistry investigation.We discussed the effect of different light elements on the Martian core s density,sound velocity and liquidus temperature.Moreover,the review examines the varieties,abundances and forms of light elements in the Martian core.
文摘Amorphous forms of C will first be compared and contrasted with amorphous Si, the differences in chemical bonding being emphasized in relation to atomic structure. After a brief discussion of ordered layers of graphite and of BN, some attention will be focused on BN cages and polymers and on C nanotubes. Finally properties of Na metal clusters will be discussed, including fission of such charged clusters
基金supported by the Natural Science Foundation of Sichuan Province(2022NSFSC1826,2022NSFSC1243).
文摘The effects of light elements on the elastic properties of disordered binary hcp-Fe alloys were investigated at high pressures using plane-wave density functional theory combined with the Monte Carlo special quasi-random structure method.We found that the increase in the O content in hcp-Fe had a more pronounced effect on the sound velocity than Si,S,and C.The longitudinal wave velocity was decreased by∼6%with 2%O content,which was a much greater decrease than the values of 0.6%and 2%induced by the same content of Si and S,respectively,under high pressures.Compared with the other three light elements,the longitudinal wave velocity of the Fe-C alloy exhibited the most gradual decreasing with increasing C content.In addition,the effects of different O and S contents on the anisotropy of hcp-Fe alloys strongly depended on the variation in pressure,whereas the pressure only slightly affected the anisotropy of Fe-Si alloy systems.
基金Project supported by Anguran Lead and Zinc Company(55/G/93)
文摘At present, the use of rare earth elements（REEs） has become an inevitable necessity in many modern industries. In general, liquid extraction is the best commercial method for extracting REEs due to its ability to control high volumes of liquids with electrical load. With the aim of improving a separation technology that would be superior to the existing extraction systems, the extraction behaviors of La（Ⅲ）,Pr（Ⅲ）, and Nd（Ⅲ） from an HCI medium with Cyanex 272 in the presence of the complexing agent lactic acid（HLac） and auxiliary agents citric acid（H3 Cit）, acetic acid（HAc）, and Titriplex Ⅲ have been reported.The effect of pH and lactic acid concentration has been examined. The use of lactic acid as a complexing agent leading to a high extraction of REEs with Cyanex 272 at pH = 5 was compared with systems without lactic acid. The results show that the use of acetic acid along with lactic acid leads to an increase in the extraction percentage of LREEs. While use of citric acid and Titriplex Ⅲ reduces the extraction percentage of LREEs. Finally, the presence of Titriplex Ⅲ together with lactic acid could lead to an increase in the separation factor of Pr and Nd.
基金Supported by National Natural Science Foundation of China(31760551)Jiangxi Natural Science Foundation(20152ACB21002)Collaborative Innovation Special Funds of Jiangxi Academy of Sciences(2013-XTPH1-05)
文摘The total content of light rare earth elements( LREEs) in the soil of navel orange orchards of Gannan area is greater than that of heavy rare earth elements( HREEs). Appropriate content of LREE can not only promote the growth of navel oranges,and it is also conducive to human health. On the basis of exploring the correlations between the content of LREE in the soil of navel orange orchards of Gannan area and the contents of LREE in navel orange leaves and fruit,the influence mechanism of LREEs on the quality of navel oranges was revealed. In this study,with two Newhall navel orange orchards with different soil LREEs background levels in Xinfeng County as the research object,the changes in the content of LREE( lanthanum,La; cerium,Ce; praseodymium,Pr; neodymium,Nd) in leaves and fruit of navel orange at different growth stages were analyzed using Inductively Coupled Plasma-Mass Spectrometry( ICP-MS),and the correlations between the content of LREE in the soil,navel orange leaves and navel orange fruit were studied. The results showed that the contents of the four kinds of LREEs in the soil ranked as Ce > La > Nd > Pr,and there were significant differences among them( P < 0. 01). Navel orange leaves and fruit have selective and heterogenic absorption for LREEs. At different growth stages,La showed the highest accumulation amount in the leaves and fruit of navel orange; and the content of LREE in the leaves of navel orange increased first and then decreased,while that in the fruit of navel orange showed continuous decrease. During the migration of LREEs from soil to leaves to fruit,the content of LREE decreased rapidly as the migration distance increased. The accumulation amount of LREE in navel orange was positively correlated with the content of LREE in the soil. The correlation between the content of LREE in the leaves and fruit of navel orange was greatest. Among the four kinds of LREEs,the correlation of La was greatest,followed by Ce,indicating that the accumulation amount of LREE in the navel orange body was affected by the element types.
文摘Noble metals have been widely used as heterogeneous catalysts because they exhibit high activity and selectivity for many reactions of both academic and industrial interest.The introduction of light atomic species(e.g.,H,B,C,and N)into noble metal lattices plays an important role in optimizing catalytic performance by modulating structural and electronic properties.In this review,we present a general overview of the recent advances in the modification of noble metals with light alloying elements for various catalytic reactions,particularly for energy‐related applications.We summarize the types,location,concentration,and ordering degree of light atoms as major factors in the performance of noble metal‐based catalysts,with emphasis on how they can be rationally controlled to promote activity and selectivity.We then summarize the synthetic strategies developed to incorporate light elements and highlight the theoretical and experimental methods for understanding the alloying effects.We further focus on the wide usage of noble metal‐based catalysts modified with different light alloying atoms and attempt to correlate the structural features with their catalytic performances.Finally,we discuss current challenges and future perspectives regarding the development of highly efficient noble metal‐based catalysts modified with light elements.
基金supported by the National Key R&D Program of China(Grant No.2022YFF0503203)National Natural Science Foundation of China(NSFC)projects(Grant Nos.42441826 and 42173041)+1 种基金the Key Research Program of the Institute of Geology and Geophysics,Chinese Academy of Sciences(Grant No.IGGCAS-202204)the computational facilities of the Computer Simulation Laboratory at IGGCAS and the Beijing Super Cloud Computing Center(BSCC).
文摘Hydrogen partitioning between liquid iron alloys and silicate melts governs its distribution and cycling in Earth’s deep interior.Existing models based on simplified Fe-H systems predict strong hydrogen sequestration into the core.However,these models do not account for the modulating effects of major light elements such as oxygen and silicon in the core during Earth’s primordial differentiation.In this study,we use first-principles molecular dynamics simulations,augmented by machine learning techniques,to quantify hydrogen chemical potentials in quaternary Fe-O-Si-H systems under early core-mantle boundary conditions(135 GPa,5000 K).Our results demonstrate that the presence of 5.2 wt%oxygen and 4.8 wt%silicon reduces the siderophile affinity of hydrogen by 35%,decreasing its alloy-silicate partition coefficient from 18.2(in the case of Fe-H)to 11.8(in the case of Fe-O-Si-H).These findings suggest that previous estimates of the core hydrogen content derived from binary system models require downward revision.Our study underscores the critical role of multicomponent interactions in core formation models and provides first-principles-derived constraints to reconcile Earth’s present-day hydrogen reservoirs with its accretionary history.
文摘The analytical technique PIXE experiment for measuring light and heavy elements concentration inside different samples of soil and residual water collected in the region of Safi-El Jadida, where an industrial complex resided, was performed. The same method was used to investigate the presence of elements ranging from silicon to lead in different soils samples and seaweed collected upstream from the site of Safi-El Jadida industrial zone, inside lands and downstream of it, in the entrance of the Casablanca region. This study allows us to highlight the influence of activities of this industrial zone on the neighbouring areas the site.
基金supported by the National Natural Science Foundation of China(11372060,10902018,91216201,and 11326005)the National Basic Research Program of China(2011CB610304)the Major National Science and Technology Project(2011ZX02403-002)
文摘The size effects of microstructure of lattice materials on structural analysis and minimum weight design are studied with extented multiscale finite element method（EMsFEM） in the paper. With the same volume of base material and configuration, the structural displacement and maximum axial stress of micro-rod of lattice structures with different sizes of microstructure are analyzed and compared.It is pointed out that different from the traditional mathematical homogenization method, EMsFEM is suitable for analyzing the structures which is constituted with lattice materials and composed of quantities of finite-sized micro-rods.The minimum weight design of structures composed of lattice material is studied with downscaling calculation of EMsFEM under stress constraints of micro-rods. The optimal design results show that the weight of the structure increases with the decrease of the size of basic sub-unit cells. The paper presents a new approach for analysis and optimization of lattice materials in complex engineering constructions.
基金supported by the National Key R&D Program of China(Grant Nos.2018YFA0703404 and 2017YFA0403704)the National Natural Science Foundation of China(Grant Nos.11774121 and 91745203)the Program for Changjiang Scholars and Innovative Research Team in University(Grant No.IRT_15R23).
文摘Light element compounds under high pressure display intriguing properties and applications,owing to their diverse bonding patterns and crystalline structures.However,the system of ternary Be-C-O compounds under high pressure,as the lightest representative of the IIA-IVA-VIA family,remains largely unexplored.Using a machine-learning-accelerated crystal structure search and first-principles calculations,Be-C-O phase diagrams are investigated at pressures ranging from 0 to 100 GPa.Four ternary compounds are proposed to be stable at corresponding pressures:BeCO_(3),Be_(2)CO_(4),Be_(2)C_(4)O_(3),and BeC_(4)O_(2).Analyses of electronic structure and chemical bonding further reveal how the structural diversity of these compounds is induced.Remarkably,Be_(2)C_(4)O_(3) and BeC_(4)O_(2) are recoverable to ambient conditions and possess both high energy density and high hardness.The volumetric energy densities of Be_(2)C_(4)O_(3) and BeC_(4)O_(2) could approach 9.03 and 7.94 kJ/cm^(3),respectively.The Vickers hardnesses of Be_(2)C_(4)O_(3) and BeC_(4)O_(2) are found to be close to 39.58 and 51.57 GPa,respectively.These findings demonstrate the structural and functional diversity of Be-C-O compounds under high pressure,providing guidance for further exploration of the IIA-IVA-VIA compounds.
