The structure of metallic glasses has been a long-standing mystery. Owing to the disordered nature of atomic structures in metallic glasses, it is a great challenge to find a simple structural description, such as per...The structure of metallic glasses has been a long-standing mystery. Owing to the disordered nature of atomic structures in metallic glasses, it is a great challenge to find a simple structural description, such as periodicity for crystals, for establishing the structure–property relationship in amorphous materials. In this paper, we briefly review the recent developments of the five-fold local symmetry in metallic liquids and glasses and the understanding of the structure–property relationship based on this parameter. Experimental evidence demonstrates that five-fold local symmetry is found to be general in metallic liquids and glasses. Comprehensive molecular dynamics simulations show that the temperature evolution of five-fold local symmetry reflects the structural evolution in glass transition in cooling process, and the structure–property relationship such as relaxation dynamics, dynamic crossover phenomena, glass transition, and mechanical deformation in metallic liquids and glasses can be well understood base on the simple and general structure parameter of five-fold local symmetry.展开更多
Many phases appear in BaLn 2Mn 2O 7 family (Ln=rare earth) belonging to one of the Ruddlesden-Popper type compounds, depending upon the experimental conditions such as heating conditions when prepared and compositi...Many phases appear in BaLn 2Mn 2O 7 family (Ln=rare earth) belonging to one of the Ruddlesden-Popper type compounds, depending upon the experimental conditions such as heating conditions when prepared and composition. Some of these phases were characterized by powder X-ray diffraction method using Rietveld analysis. These phases have only a little difference in crystal structure which has fundamentally K 2NiF 4 type structure, although the X-ray diffraction patterns are clearly different: a little deformation or tilting of the oxygen octahedron surrounding a central manganese ion composing the main frame of this structure induce these different diffraction patterns. Phase behavior of these compounds, mainly the detailed relation between various phases in BaTb 2Mn 2O 7, was refined including the data of high temperature X-ray diffractometry.展开更多
Silica has three major varieties of crystalline. Quartz is the main andabundant ingredient in the crust of our earth. While other varieties are formedby the heating of quartz. Silica quartz is a rich chemical structur...Silica has three major varieties of crystalline. Quartz is the main andabundant ingredient in the crust of our earth. While other varieties are formedby the heating of quartz. Silica quartz is a rich chemical structure containingenormous properties. Any chemical network or structure can be transformedinto a graph, where atoms become vertices and the bonds are converted toedges, between vertices. This makes a complex network easy to visualize towork on it. There are many concepts to work on chemical structures in termsof graph theory but the resolvability parameters of a graph are quite advanceand applicable topic. Resolvability parameters of a graph is a way to getting agraph into unique form, like each vertex or edge has a unique identification bymeans of some selected vertices, which depends on the distance of vertices andits pattern in a particular graph. We have dealt some resolvability parametersof SiO2 quartz. We computed the resolving set for quartz structure and itsvariants, wherein we proved that all the variants of resolvability parameters ofquartz structures are constant and do not depend on the order of the graph.展开更多
We selected relative travel-time residuals from teleseismic waveform data using the waveform correction method and imaged the P wave velocity structure beneath Northeast China. In combination with other geophysical da...We selected relative travel-time residuals from teleseismic waveform data using the waveform correction method and imaged the P wave velocity structure beneath Northeast China. In combination with other geophysical data, we discussed the relation between the shallow and deep structures of the area. The results show that there is a primary high-velocity zone with some high- and low-ve- locity distribution characters beneath the Songliao basin. The low-velocity anomalies may extend down to the upper mantle, and may be the result of material upwelling. The low-velocity anomaly beneath the southern part of the Songliao basin is connected to those beneath the Chang- baishan and A'ershan volcanic areas. It may be an upwelling channel from the mantle beneath the Songliao basin and adjacent area. This finding indicates the Songliao basin was a result of asthenospheric upwelling caused by subduction of the Pacific plate under the Eurasian plate.展开更多
To explain the stabilization mechanism of the carbon-ion-implanted GaN under the diamond growth environment,the luminescence characteristics and structure evolution correlative with sites' carbon atoms located for hi...To explain the stabilization mechanism of the carbon-ion-implanted GaN under the diamond growth environment,the luminescence characteristics and structure evolution correlative with sites' carbon atoms located for highfluence carbon-ion-implanted Ga N are discussed. GaN is implanted with carbon ion using fluence of 2×10^(17) cm^(-2) and energy of 45 keV. Then the implanted samples are annealed at 800℃ for 20 min and 1 h under the N_2 atmosphere. The luminescence characteristics of carbon-ion-implanted GaN are evaluated by photoluminescence spectrum at wavelength 325 nm. The lattice damage of Ga N is characterized by Raman spectrum and the corresponding vacancy-defect evolution before and after annealing is measured by slow positron annihilation. The results show that most of the carbon atoms will be located at the interstitial sites after carbon ion implantation due to the weak mobility. As the implanted samples are annealed, strong yellow luminescence is emitted and the vacancies for Ga(V_(Ga)) are reduced resulting from the migration of interstitial carbon(C_i) and formation of complexes(CGaand/or C_(Ga)-C_i) between them. As the annealing time is prolonged, the carbon ions accommodated by the vacancies are saturated, vacancy clusters with carbon atoms appear and the concentration of C_(Ga) diminishes, which will have an adverse effect on the diamond film nucleation and growth.展开更多
From a point of magmatic view,the rupturing Gondwana Supercontinent is registered on the South American shelf in continental flood basalts,mafic dyke swarms,basins rift and,to a lesser extent,by intrusions alkaline.Am...From a point of magmatic view,the rupturing Gondwana Supercontinent is registered on the South American shelf in continental flood basalts,mafic dyke swarms,basins rift and,to a lesser extent,by intrusions alkaline.Among those展开更多
The paper is focused on different kinds of gravity results obtained in Shults Cape Observatory for 2010 -2015. Gravity observation is interpreted together with GPS observation data which was obtained from 2012 to 2015...The paper is focused on different kinds of gravity results obtained in Shults Cape Observatory for 2010 -2015. Gravity observation is interpreted together with GPS observation data which was obtained from 2012 to 2015 at the same station, The station is situated on Gamov peninsular (42.58° N, 131.15° E, Russia) at the coast of Japan Sea, This region constitutes the eastern boundary of Eurasia. This major continental tectonic feature is associated with a seismic activity, high heat flow and anomalous thickness of earth's crust. The goal of the observation was the investigation of gravity variation with time and seismicity situation monitoring. Gravity observation was developed at special basement by absolute gravimeter (GABL type) and by spring gravimeter (SCINREX CG-5and gPhone type). Tidal models were tested by results of observation with spring gravimeters. Reduction task was solved, as the experimental data received from different points of Shults Cape Observatory was used. Applied reduction coefficient is 203.3 12Gal m l, and agrees with theoretical calculation. Next goal was studying structure of earth's crust by means of gravity models. Gravity anomaly varied from 30 mGal to 46 mGal, which also depend on difference reference system, Experimental results were used for testing of the structure of continental boundary, which also depends on the sea bottom flexion. Thickness of elastic layer was estimated from 12 km to 18 km by using different models.展开更多
Before his multi-stop visit to Mexico,Argentina,Peru,Colombia and Jamaica in Latin America and the Caribbean(LAC)early February 2018,then U.S.Secretary of State Rex Tillerson released many signals for Latin America.Es...Before his multi-stop visit to Mexico,Argentina,Peru,Colombia and Jamaica in Latin America and the Caribbean(LAC)early February 2018,then U.S.Secretary of State Rex Tillerson released many signals for Latin America.Especially in his remarks at the University of Texas at Austin,he portrayed the presence of China and Russia in LAC as a"new展开更多
In this article we explored the crystal structure of a few pearls and shellfish's shell of fresh water and sea water, and found that pearls and nacreous layer (perhaps and prismatic layer) of shells are all the sa...In this article we explored the crystal structure of a few pearls and shellfish's shell of fresh water and sea water, and found that pearls and nacreous layer (perhaps and prismatic layer) of shells are all the same: CaCO3, orthorhombic system, aragonite structure and the value of lattice spacings are almost identical. This shows that the pearls of fresh water and sea water are all the same in nature.展开更多
The human pregnane X receptor(hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiat...The human pregnane X receptor(hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards h PXR. Heuristic method(HM)-Best Subset Modeling(BSM) and HM-Polynomial Neural Networks(PNN) were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain(AD) of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved(for HM-BSM, r^2=0.881, q^2_(LOO)=0.797, q^2_(EXT)=0.674; for HM-PNN, r^2=0.882, q^2_(LOO)=0.856, q^2_(EXT)=0.655). The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to h PXR.展开更多
基金supported by the National Natural Science Foundation of China(Grant Nos.51271195 and 51271197)the National Basic Research Program of China(Grant No.2015CB856800)+1 种基金the Fundamental Research Funds for the Central Universities,Chinathe Research Funds of Renmin University of China(Grnat No.16XNLQ01)
文摘The structure of metallic glasses has been a long-standing mystery. Owing to the disordered nature of atomic structures in metallic glasses, it is a great challenge to find a simple structural description, such as periodicity for crystals, for establishing the structure–property relationship in amorphous materials. In this paper, we briefly review the recent developments of the five-fold local symmetry in metallic liquids and glasses and the understanding of the structure–property relationship based on this parameter. Experimental evidence demonstrates that five-fold local symmetry is found to be general in metallic liquids and glasses. Comprehensive molecular dynamics simulations show that the temperature evolution of five-fold local symmetry reflects the structural evolution in glass transition in cooling process, and the structure–property relationship such as relaxation dynamics, dynamic crossover phenomena, glass transition, and mechanical deformation in metallic liquids and glasses can be well understood base on the simple and general structure parameter of five-fold local symmetry.
文摘Many phases appear in BaLn 2Mn 2O 7 family (Ln=rare earth) belonging to one of the Ruddlesden-Popper type compounds, depending upon the experimental conditions such as heating conditions when prepared and composition. Some of these phases were characterized by powder X-ray diffraction method using Rietveld analysis. These phases have only a little difference in crystal structure which has fundamentally K 2NiF 4 type structure, although the X-ray diffraction patterns are clearly different: a little deformation or tilting of the oxygen octahedron surrounding a central manganese ion composing the main frame of this structure induce these different diffraction patterns. Phase behavior of these compounds, mainly the detailed relation between various phases in BaTb 2Mn 2O 7, was refined including the data of high temperature X-ray diffractometry.
基金This research is supported by the University program of Advanced Research(UPAR)and UAEU-AUA grants of United Arab Emirates University(UAEU)via Grant No.G00003271 and Grant No.G00003461.
文摘Silica has three major varieties of crystalline. Quartz is the main andabundant ingredient in the crust of our earth. While other varieties are formedby the heating of quartz. Silica quartz is a rich chemical structure containingenormous properties. Any chemical network or structure can be transformedinto a graph, where atoms become vertices and the bonds are converted toedges, between vertices. This makes a complex network easy to visualize towork on it. There are many concepts to work on chemical structures in termsof graph theory but the resolvability parameters of a graph are quite advanceand applicable topic. Resolvability parameters of a graph is a way to getting agraph into unique form, like each vertex or edge has a unique identification bymeans of some selected vertices, which depends on the distance of vertices andits pattern in a particular graph. We have dealt some resolvability parametersof SiO2 quartz. We computed the resolving set for quartz structure and itsvariants, wherein we proved that all the variants of resolvability parameters ofquartz structures are constant and do not depend on the order of the graph.
基金supported by the National Natural Science Foundation of China (Grant No.41274088)International Science and Technology Cooperation Program of China(ISCTP)(Grant No.2011DFB20210)the Earthquake Science and Technology Spark Plan Project of Hebei province,China(Grant NO.DZ20150420030)
文摘We selected relative travel-time residuals from teleseismic waveform data using the waveform correction method and imaged the P wave velocity structure beneath Northeast China. In combination with other geophysical data, we discussed the relation between the shallow and deep structures of the area. The results show that there is a primary high-velocity zone with some high- and low-ve- locity distribution characters beneath the Songliao basin. The low-velocity anomalies may extend down to the upper mantle, and may be the result of material upwelling. The low-velocity anomaly beneath the southern part of the Songliao basin is connected to those beneath the Chang- baishan and A'ershan volcanic areas. It may be an upwelling channel from the mantle beneath the Songliao basin and adjacent area. This finding indicates the Songliao basin was a result of asthenospheric upwelling caused by subduction of the Pacific plate under the Eurasian plate.
基金Supported by the National Natural Science Foundation of China under Grant No 51402013the National Key Research and Development Program of China under Grant No 2016YFE0133200the European Union’s Horizon 2020 Research and Innovation Staff Exchange Scheme under Grant No 734578
文摘To explain the stabilization mechanism of the carbon-ion-implanted GaN under the diamond growth environment,the luminescence characteristics and structure evolution correlative with sites' carbon atoms located for highfluence carbon-ion-implanted Ga N are discussed. GaN is implanted with carbon ion using fluence of 2×10^(17) cm^(-2) and energy of 45 keV. Then the implanted samples are annealed at 800℃ for 20 min and 1 h under the N_2 atmosphere. The luminescence characteristics of carbon-ion-implanted GaN are evaluated by photoluminescence spectrum at wavelength 325 nm. The lattice damage of Ga N is characterized by Raman spectrum and the corresponding vacancy-defect evolution before and after annealing is measured by slow positron annihilation. The results show that most of the carbon atoms will be located at the interstitial sites after carbon ion implantation due to the weak mobility. As the implanted samples are annealed, strong yellow luminescence is emitted and the vacancies for Ga(V_(Ga)) are reduced resulting from the migration of interstitial carbon(C_i) and formation of complexes(CGaand/or C_(Ga)-C_i) between them. As the annealing time is prolonged, the carbon ions accommodated by the vacancies are saturated, vacancy clusters with carbon atoms appear and the concentration of C_(Ga) diminishes, which will have an adverse effect on the diamond film nucleation and growth.
文摘From a point of magmatic view,the rupturing Gondwana Supercontinent is registered on the South American shelf in continental flood basalts,mafic dyke swarms,basins rift and,to a lesser extent,by intrusions alkaline.Among those
文摘The paper is focused on different kinds of gravity results obtained in Shults Cape Observatory for 2010 -2015. Gravity observation is interpreted together with GPS observation data which was obtained from 2012 to 2015 at the same station, The station is situated on Gamov peninsular (42.58° N, 131.15° E, Russia) at the coast of Japan Sea, This region constitutes the eastern boundary of Eurasia. This major continental tectonic feature is associated with a seismic activity, high heat flow and anomalous thickness of earth's crust. The goal of the observation was the investigation of gravity variation with time and seismicity situation monitoring. Gravity observation was developed at special basement by absolute gravimeter (GABL type) and by spring gravimeter (SCINREX CG-5and gPhone type). Tidal models were tested by results of observation with spring gravimeters. Reduction task was solved, as the experimental data received from different points of Shults Cape Observatory was used. Applied reduction coefficient is 203.3 12Gal m l, and agrees with theoretical calculation. Next goal was studying structure of earth's crust by means of gravity models. Gravity anomaly varied from 30 mGal to 46 mGal, which also depend on difference reference system, Experimental results were used for testing of the structure of continental boundary, which also depends on the sea bottom flexion. Thickness of elastic layer was estimated from 12 km to 18 km by using different models.
文摘Before his multi-stop visit to Mexico,Argentina,Peru,Colombia and Jamaica in Latin America and the Caribbean(LAC)early February 2018,then U.S.Secretary of State Rex Tillerson released many signals for Latin America.Especially in his remarks at the University of Texas at Austin,he portrayed the presence of China and Russia in LAC as a"new
基金The project supported by National Natural Science Foundation of China(NSFC)
文摘In this article we explored the crystal structure of a few pearls and shellfish's shell of fresh water and sea water, and found that pearls and nacreous layer (perhaps and prismatic layer) of shells are all the same: CaCO3, orthorhombic system, aragonite structure and the value of lattice spacings are almost identical. This shows that the pearls of fresh water and sea water are all the same in nature.
基金supported by grants from the Natural Science Research Project of Institution of Higher Education of Jiangsu Province(No.11KJB180006)National Natural Science Foundation of China(No.21277074 and No.81302458)
文摘The human pregnane X receptor(hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards h PXR. Heuristic method(HM)-Best Subset Modeling(BSM) and HM-Polynomial Neural Networks(PNN) were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain(AD) of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved(for HM-BSM, r^2=0.881, q^2_(LOO)=0.797, q^2_(EXT)=0.674; for HM-PNN, r^2=0.882, q^2_(LOO)=0.856, q^2_(EXT)=0.655). The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to h PXR.