The adsorption of low-coverage of F and Cl adatoms on the Mg（0001） surface was investigated using first-principles calculations based on the density functional theory（DFT）.The stability of the（2×2） structur...The adsorption of low-coverage of F and Cl adatoms on the Mg（0001） surface was investigated using first-principles calculations based on the density functional theory（DFT）.The stability of the（2×2） structures formed by halogen atoms adsorbed at different sites was determined.The difference between the adsorption of F and Cl on Mg（0001） surface was also discussed.The calculation results show that hollow sites are the energetically most favorable at the low-coverage.It can be concluded from the Mulliken charges and density of states that electrons transfer from the substrate Mg atoms to the adatoms,which leads to the formation of adsorbate bond and further causes the stronger interaction between Mg atom and adatom.The interaction between Cl and Mg atoms is weaker than the interaction between F and Mg.展开更多
Primitive mantle normalized Platinum group elements (PGE) concentration patterns for the Zhengziyanwo intrusion and Dashibao Formation basalts are of positive slope, similar to most of the world class magmatic Ni Cu P...Primitive mantle normalized Platinum group elements (PGE) concentration patterns for the Zhengziyanwo intrusion and Dashibao Formation basalts are of positive slope, similar to most of the world class magmatic Ni Cu PGE sulfide deposits. Characters of this intrusion and its related ores and Dashibao Formation basalts are their negative Pt anomaly and high concentration of Rh relative to Pt and Pd, facts being interpreted to be the results of crystallization and fractionation of Pt alloys and spinel phase free crystallization history for the magma, respectively. PGE parameters of the Dashibao Formation basalts are consistent with the general trend of those found for the Zhengziyanwo intrusion, and this might infer a genetic link between them.展开更多
[Objective] This study aimed to conduct correspondence cluster analysis of the trace elements in Chinese wolfberry from Qinghai and Ningxia regions, and to investigate the relationship among the quality of the wolfber...[Objective] This study aimed to conduct correspondence cluster analysis of the trace elements in Chinese wolfberry from Qinghai and Ningxia regions, and to investigate the relationship among the quality of the wolfberry samples, the composition of trace elements and the sample sources. [Method] The determined contents of trace elements and ratios of zinc to copper （Zn/Cu） of wolfberry from 11 different producing areas of Qinghai and Ningxia regions were adopted to construct the raw measurement data matrix, to analyze the distribution characteristics of the trace ele- ments in wolfberry from Qinghai and Ningxia by using the corresponding cluster analysis method. [Result] The quality of wolfberry samples in 7hongning County, Zhongwei City, Pingluo County, Shizuishan City, Heicheng Town of Ningxia Hui Au-tonomous Region and Hehuang Valley, Golmud City of Qinghai Province is mainly related to the contents of Zn and Mn; Zn/Cu greatly affects the quality of Chinese wolfberry in Dulan County of Qinghai Province; Fe has great effect on the quality of Chinese wolfberry in Yinchuan City of Ningxia Hui Autonomous Region; Cu greatly affects the quality of Chinese wolfberry in Nuomuhong Village of Qinghai Province and a wolfberry research institute in Ningxia. [Conclusion] The relationship between the quality of wolfberry from different producing areas and the trace elements was investigated, which provides theoretical and practical basis for the cultivation, har- vesting, processing, and further development and utilization of Chinese wolfberry resources from different producing areas.展开更多
We predict two novel group 14 element alloys Si_(2)Ge and SiGe_(2) in P6_(2)22 phase in this work through first-principles calculations.The structures,stability,elastic anisotropy,electronic and thermodynamic properti...We predict two novel group 14 element alloys Si_(2)Ge and SiGe_(2) in P6_(2)22 phase in this work through first-principles calculations.The structures,stability,elastic anisotropy,electronic and thermodynamic properties of these two proposed alloys are investigated systematically.The proposed P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2) have a hexagonal symmetry structure,and the phonon dispersion spectra and elastic constants indicate that these two alloys are dynamically and mechanically stable at ambient pressure.The elastic anisotropy properties of P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2) are examined elaborately by illustrating the surface constructions of Young’s modulus,the contour surfaces of shear modulus,and the directional dependence of Poisson’s ratio;the differences with their corresponding group 14 element allotropes P6_(2)22-Si_(3) and P6_(2)22-Ge_(3) are also discussed and compared.Moreover,the Debye temperature and sound velocities are analyzed to study the thermodynamic properties of the proposed P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2).展开更多
The sources of large and unique platinum-metal placers were the zonal alkali-ultrabasic massifs be- coming active in the Cretaceous time that gravitated to the periphery of the areal of the North-Asian Superplume （NA...The sources of large and unique platinum-metal placers were the zonal alkali-ultrabasic massifs be- coming active in the Cretaceous time that gravitated to the periphery of the areal of the North-Asian Superplume （NAS） influence. Origin of the conditions favorable for the formation of the placer platinum presence in the re- gion is governed by the plume ore-generating magmatism of several generations （ in Proterozoie and Phanerozo- ic）. Ultramafite-mafite magmatism was responsible for the origin of the stratified zonal massifs subjected in the Late Paleozoic and Mesozoic to the action of granitogene derivations of the NAS. The latter provided the devel- opment of the ore-forming magmagene-fluid-metasomatic processes and favorable conditions for the platinum group elements concentration.展开更多
基金Project (51201079) supported by the National Natural Science Foundation of ChinaProject (2012Z099) supported by the Scientific Research Fund of Department of Education of Yunnan Province,ChinaProject (KKSY201251033) supported by the Scientific Research Foundation for Introduced Talents of KMUST,China
文摘The adsorption of low-coverage of F and Cl adatoms on the Mg（0001） surface was investigated using first-principles calculations based on the density functional theory（DFT）.The stability of the（2×2） structures formed by halogen atoms adsorbed at different sites was determined.The difference between the adsorption of F and Cl on Mg（0001） surface was also discussed.The calculation results show that hollow sites are the energetically most favorable at the low-coverage.It can be concluded from the Mulliken charges and density of states that electrons transfer from the substrate Mg atoms to the adatoms,which leads to the formation of adsorbate bond and further causes the stronger interaction between Mg atom and adatom.The interaction between Cl and Mg atoms is weaker than the interaction between F and Mg.
基金supported by NSFC(Grant Nos.40072037,40273025)NKBRSF Project(Grant No.G1999043200)
文摘Primitive mantle normalized Platinum group elements (PGE) concentration patterns for the Zhengziyanwo intrusion and Dashibao Formation basalts are of positive slope, similar to most of the world class magmatic Ni Cu PGE sulfide deposits. Characters of this intrusion and its related ores and Dashibao Formation basalts are their negative Pt anomaly and high concentration of Rh relative to Pt and Pd, facts being interpreted to be the results of crystallization and fractionation of Pt alloys and spinel phase free crystallization history for the magma, respectively. PGE parameters of the Dashibao Formation basalts are consistent with the general trend of those found for the Zhengziyanwo intrusion, and this might infer a genetic link between them.
文摘[Objective] This study aimed to conduct correspondence cluster analysis of the trace elements in Chinese wolfberry from Qinghai and Ningxia regions, and to investigate the relationship among the quality of the wolfberry samples, the composition of trace elements and the sample sources. [Method] The determined contents of trace elements and ratios of zinc to copper （Zn/Cu） of wolfberry from 11 different producing areas of Qinghai and Ningxia regions were adopted to construct the raw measurement data matrix, to analyze the distribution characteristics of the trace ele- ments in wolfberry from Qinghai and Ningxia by using the corresponding cluster analysis method. [Result] The quality of wolfberry samples in 7hongning County, Zhongwei City, Pingluo County, Shizuishan City, Heicheng Town of Ningxia Hui Au-tonomous Region and Hehuang Valley, Golmud City of Qinghai Province is mainly related to the contents of Zn and Mn; Zn/Cu greatly affects the quality of Chinese wolfberry in Dulan County of Qinghai Province; Fe has great effect on the quality of Chinese wolfberry in Yinchuan City of Ningxia Hui Autonomous Region; Cu greatly affects the quality of Chinese wolfberry in Nuomuhong Village of Qinghai Province and a wolfberry research institute in Ningxia. [Conclusion] The relationship between the quality of wolfberry from different producing areas and the trace elements was investigated, which provides theoretical and practical basis for the cultivation, har- vesting, processing, and further development and utilization of Chinese wolfberry resources from different producing areas.
基金supported by the National Natural Science Foundation of China(No.61804120)the Scientific Research Program of Shaanxi Provincial Education Department(19JK0471)the Science and Technology Foundation for Youths of Xi’an University of Architecture and Technology(QN1625)。
文摘We predict two novel group 14 element alloys Si_(2)Ge and SiGe_(2) in P6_(2)22 phase in this work through first-principles calculations.The structures,stability,elastic anisotropy,electronic and thermodynamic properties of these two proposed alloys are investigated systematically.The proposed P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2) have a hexagonal symmetry structure,and the phonon dispersion spectra and elastic constants indicate that these two alloys are dynamically and mechanically stable at ambient pressure.The elastic anisotropy properties of P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2) are examined elaborately by illustrating the surface constructions of Young’s modulus,the contour surfaces of shear modulus,and the directional dependence of Poisson’s ratio;the differences with their corresponding group 14 element allotropes P6_(2)22-Si_(3) and P6_(2)22-Ge_(3) are also discussed and compared.Moreover,the Debye temperature and sound velocities are analyzed to study the thermodynamic properties of the proposed P6_(2)22-Si_(2)Ge and P6_(2)22-SiGe_(2).
文摘The sources of large and unique platinum-metal placers were the zonal alkali-ultrabasic massifs be- coming active in the Cretaceous time that gravitated to the periphery of the areal of the North-Asian Superplume （NAS） influence. Origin of the conditions favorable for the formation of the placer platinum presence in the re- gion is governed by the plume ore-generating magmatism of several generations （ in Proterozoie and Phanerozo- ic）. Ultramafite-mafite magmatism was responsible for the origin of the stratified zonal massifs subjected in the Late Paleozoic and Mesozoic to the action of granitogene derivations of the NAS. The latter provided the devel- opment of the ore-forming magmagene-fluid-metasomatic processes and favorable conditions for the platinum group elements concentration.
