A molecular dynamics simulation study was performed to investigate the formation and evolution mechanisms of nano-clusters during the rapid solidification of liquid CaToMg30 alloy. The cluster-type index method (CTIM...A molecular dynamics simulation study was performed to investigate the formation and evolution mechanisms of nano-clusters during the rapid solidification of liquid CaToMg30 alloy. The cluster-type index method (CTIM) was adopted to describe microstructure evolutions of nano-clusters during solidification. Results indicate that amorphous structure is mainly formed with three bond-types of 1551, 1541 and 1431 at the cooling rate of 5~1011 K/S, and glass transition temperature Tg is about 530 K; the icosahedron cluster of (12 0 12 0) plays a key role in formation of amorphous structure, and smaller Mg atoms are much more probable to be central atoms of icosahedron clusters; and nano-clusters are mainly formed by combining medium-size clusters. Interestingly, it was also found that formation and evolution processes of the nano-cluster display a three-stage feature which is analogous to crystallization process of amorphous alloy.展开更多
The rapid solidification processes of liquid Cu56Zr44 alloys at different cooling rates (γ) were simulated by a molecular dynamics (MD) method. In order to assess the influence of cooling rate on the clustering t...The rapid solidification processes of liquid Cu56Zr44 alloys at different cooling rates (γ) were simulated by a molecular dynamics (MD) method. In order to assess the influence of cooling rate on the clustering tendency and degree towards icosahedrons, a ten-indices' cluster-type index method was suggested to characterize the local atomic structures in the super-cooled liquid and the rapidly solidified solid. And their clustering and ordering degrees as well as the packing density of ieosahedral clusters were also evaluated by an icosahedral clustering degree (fI), the chemical order parameter (ηαβ) and densification coefficients (D0, DI and DIS), respectively. Results show that the main local atomic configurations in Cu56Zr44 alloy system are Z12 clusters centered by Cu, and most of which are (12 0 12 0 0 0 0 0 0 0) standard icosahedra and (12 0 8 0 0 0 2 2 0 0) as well as (12 2 8 2 0 0 0 0 0 0) defective icosahedra. Below glass transition temperature (Tg), these icosahedral clusters will be coalesced to various icosahedral medium-range orders (IMROs) by IS linkages, namely, icosahedral bond, and their number N, size n, order parameter ηαβ as well as spatial distributions vary with y. As the cooling rate exceeds the critical value (γc) at which a glassy transition can take place, a lower cooling rate, e.g., γ1=10^1K/ns, is demonstrated to be favorable to uplift the number of icosahedra and enlarge the size of IMROs compared with the higher cooling rates, e.g., γ5=10^5 K/ns, and their packing density and clustering degree towards icosahedra in the rapidly solidified solid can also benefit from the slow cooling process.展开更多
By now there are a few reports describing a case of pulmonary inflammatory pseudotumor,presenting multiple nodules in bilateral lungs and a pseudotumor caused by fungus infection is also a very rare disease.Here we re...By now there are a few reports describing a case of pulmonary inflammatory pseudotumor,presenting multiple nodules in bilateral lungs and a pseudotumor caused by fungus infection is also a very rare disease.Here we report a rare case of pulmonary inflammatory pseudotumor with confirmed cause by Cryptococcus infection presenting multiple nodules in bilateral lungs.展开更多
The reservoir of the Xing'anling Group in the Beier depression of the Hailar basin is loosely cemented with many tuffaceous grains.This causes argillization and collapse of the grain framework of the reservoir san...The reservoir of the Xing'anling Group in the Beier depression of the Hailar basin is loosely cemented with many tuffaceous grains.This causes argillization and collapse of the grain framework of the reservoir sandstones.A detailed study on the characteristics of rocks and minerals was carried out through polarized microscope,X-ray diffraction,X-ray fluorescence,SEM and energy spectrum analysis.The results indicate that the reason for argillization is the abundant pyroclastic,and especially tuffaceous,grains in the reservoir.The alkaline component is relatively high in some strata.These are easily altered to montmorillonite in diagenesis.Na+montmorillonite swells strongly when exposed to water.This is the fundamental reason for the reservoir's argillization and plugging.展开更多
Magnetic seeding agglomeration(MSA),i.e.,adding magnetic seeds and a low intensity pre-magnetization for fine agglomeration,was applied to the flotation of coal,pyrite and hematite ore slimes.Size analysis and flotati...Magnetic seeding agglomeration(MSA),i.e.,adding magnetic seeds and a low intensity pre-magnetization for fine agglomeration,was applied to the flotation of coal,pyrite and hematite ore slimes.Size analysis and flotation tests highlight that the MSA improved flotation recovery and kinetics of pyrite ore while causing some loss in selectivity,and in the presences of the polyacrylamide for coal and starch for hematite the agglomeration flotation was further strengthened due to the synergetic effect between the flocculants and magnetic seeds.Magnetism analyses and calculation confirmed the adsorption of magnetic seeds onto minerals,resulting in a decreased threshold magnetic field intensity for the MSA to happen.Then atomic force microscope(AFM)study found that there exists a long range force between magnetic seeds and minerals,which facilitates the adsorption of magnetic seeds on minerals.FTIR shows both the polyacrylamide and starch adsorbed onto minerals and magnetic seeds,thus acting as the bridging media between minerals and magnetic seeds,intensifying the agglomeration in flotation.Surface characterization of the MSA was understood by SEM imaging,and models of the MSA were proposed.展开更多
Apatite-lanthanum silicate has attracted considerable interest in recent years due to its high oxide ion conductivity.In this paper,V-doped samples La10-xVx(SiO4) 6O3+x(0≤x≤1.5) were prepared by sol-gel method and t...Apatite-lanthanum silicate has attracted considerable interest in recent years due to its high oxide ion conductivity.In this paper,V-doped samples La10-xVx(SiO4) 6O3+x(0≤x≤1.5) were prepared by sol-gel method and the influences of V-dopant content on calcining temperature and conductivity were reported.The samples were characterized by thermal analysis(TG-DSC) ,X-ray diffraction(XRD) and scanning electron micrograph(SEM) . The apatite was obtained at 800°C,a relatively low temperature in comparison to 1500°C with the conventional solid-state method.The ceramic pellets sintered at 1200°C for 5 h showed a higher relative density than La9.33Si6O26 pellets sintered at 1400°C for 20 h.The conductivities of samples were measured by electrochemical impedance spectroscopy.The conductivity was improved with the increase of V-dopant content on La site.展开更多
The phase transition of tungsten(W)under high pressures was investigated with molecular dynamics simulation.The structure was characterized in terms of the pair distribution function and the largest standard cluster a...The phase transition of tungsten(W)under high pressures was investigated with molecular dynamics simulation.The structure was characterized in terms of the pair distribution function and the largest standard cluster analysis(LSCA).It is found that under 40−100 GPa at a cooling rate of 0.1 K/ps a pure W melt first crystallizes into the body-centred cubic(BCC)crystal,and then transfers into the hexagonal close-packed(HCP)crystal through a series of BCC−HCP coexisting states.The dynamic factors may induce intermediate stages during the liquid−solid transition and the criss-cross grain boundaries cause lots of indistinguishable intermediate states,making the first-order BCC−HCP transition appear to be continuous.Furthermore,LSCA is shown to be a parameter-free method that can effectively analyze both ordered and disordered structures.Therefore,LSCA can detect more details about the evolution of the structure in such structure transition processes with rich intermediate structures.展开更多
Bifunctional molecules containing macrocyclic polyamine [12]aneN3 and carbazol units, 1-4, have been efficiently synthe sized and fully characterized. Through gel electrophoresis, atomic force microscopy, and dynamic ...Bifunctional molecules containing macrocyclic polyamine [12]aneN3 and carbazol units, 1-4, have been efficiently synthe sized and fully characterized. Through gel electrophoresis, atomic force microscopy, and dynamic light scattering experiments, compounds 3 and 4b bearing both [12]aneN3 and carbazol moieties showed effective DNA condensation ability at the concen- tration of 80 jaM. Investigations from EB displacement fluorescence spectra, viscosity titration, and ionic strength effects re vealed that the effective DNA condensation comes from the appropriate combination of carbazol and [12]aneN3 units in the bifunctional molecules, and the DNA condensation process is reversible. The incorporation of triazole units in the molecules clearly reduced the cytotoxicity.展开更多
Conductive and adhesive hydrogels are promising materials for designing bioelectronics.To satisfy the high conductivity of bioelectronic devices,metal nanomaterials have been used to fabricate composite hydrogels.Howe...Conductive and adhesive hydrogels are promising materials for designing bioelectronics.To satisfy the high conductivity of bioelectronic devices,metal nanomaterials have been used to fabricate composite hydrogels.However,the fabrication of a conductive-nanomaterial-incorporated hydrogel with high performance is a great challenge because of the easy aggregation nature of conductive nanomaterials making processing difficult.Here,we report a kind of adhesive aero-hydrogel hybrid conductor(AAHC)with stretchable,adhesive and anti-bacteria properties by in situ formation of a hydrogel network in the aerogel-silver nanowires(AgNWs)assembly.The AgNWs with good conductivity are wellintegrated on the inner-surface of shape-memory chitosan aerogel,which created a conductive framework to allow hydrogel back-filling.Reinforcement by the aerogel-silver makes the hybrid hydrogel tough and stretchable.Functional groups from the hydrogel allow strong adhesion to wet tissues through molecular stitches.The inherent bacteria-killing ability of silver ions endows the conductive hydrogel with excellent anti-bacteria performance.The proposed facile strategy of aerogel-assisted assembly of metal nanomaterials with hydrogel opens a new route to incorporate functional nanoscale building blocks into hydrogels.展开更多
基金Project(50831003) supported by the National Natural Science Foundation of ChinaProject(20114BAB215026) supported by Jiangxi Provincial Natural Science Foundation,ChinaProject(ZD201002) supported by Fund for Basic Scientific Research of Gannan Medical University,China
文摘A molecular dynamics simulation study was performed to investigate the formation and evolution mechanisms of nano-clusters during the rapid solidification of liquid CaToMg30 alloy. The cluster-type index method (CTIM) was adopted to describe microstructure evolutions of nano-clusters during solidification. Results indicate that amorphous structure is mainly formed with three bond-types of 1551, 1541 and 1431 at the cooling rate of 5~1011 K/S, and glass transition temperature Tg is about 530 K; the icosahedron cluster of (12 0 12 0) plays a key role in formation of amorphous structure, and smaller Mg atoms are much more probable to be central atoms of icosahedron clusters; and nano-clusters are mainly formed by combining medium-size clusters. Interestingly, it was also found that formation and evolution processes of the nano-cluster display a three-stage feature which is analogous to crystallization process of amorphous alloy.
基金Project(51071065)supported by the National Natural Science Foundation of ChinaProject(20100161110001)supported by the Specialized Research Fund for the Doctoral Program of Higher Education of China
文摘The rapid solidification processes of liquid Cu56Zr44 alloys at different cooling rates (γ) were simulated by a molecular dynamics (MD) method. In order to assess the influence of cooling rate on the clustering tendency and degree towards icosahedrons, a ten-indices' cluster-type index method was suggested to characterize the local atomic structures in the super-cooled liquid and the rapidly solidified solid. And their clustering and ordering degrees as well as the packing density of ieosahedral clusters were also evaluated by an icosahedral clustering degree (fI), the chemical order parameter (ηαβ) and densification coefficients (D0, DI and DIS), respectively. Results show that the main local atomic configurations in Cu56Zr44 alloy system are Z12 clusters centered by Cu, and most of which are (12 0 12 0 0 0 0 0 0 0) standard icosahedra and (12 0 8 0 0 0 2 2 0 0) as well as (12 2 8 2 0 0 0 0 0 0) defective icosahedra. Below glass transition temperature (Tg), these icosahedral clusters will be coalesced to various icosahedral medium-range orders (IMROs) by IS linkages, namely, icosahedral bond, and their number N, size n, order parameter ηαβ as well as spatial distributions vary with y. As the cooling rate exceeds the critical value (γc) at which a glassy transition can take place, a lower cooling rate, e.g., γ1=10^1K/ns, is demonstrated to be favorable to uplift the number of icosahedra and enlarge the size of IMROs compared with the higher cooling rates, e.g., γ5=10^5 K/ns, and their packing density and clustering degree towards icosahedra in the rapidly solidified solid can also benefit from the slow cooling process.
文摘By now there are a few reports describing a case of pulmonary inflammatory pseudotumor,presenting multiple nodules in bilateral lungs and a pseudotumor caused by fungus infection is also a very rare disease.Here we report a rare case of pulmonary inflammatory pseudotumor with confirmed cause by Cryptococcus infection presenting multiple nodules in bilateral lungs.
文摘The reservoir of the Xing'anling Group in the Beier depression of the Hailar basin is loosely cemented with many tuffaceous grains.This causes argillization and collapse of the grain framework of the reservoir sandstones.A detailed study on the characteristics of rocks and minerals was carried out through polarized microscope,X-ray diffraction,X-ray fluorescence,SEM and energy spectrum analysis.The results indicate that the reason for argillization is the abundant pyroclastic,and especially tuffaceous,grains in the reservoir.The alkaline component is relatively high in some strata.These are easily altered to montmorillonite in diagenesis.Na+montmorillonite swells strongly when exposed to water.This is the fundamental reason for the reservoir's argillization and plugging.
基金Project(51274256)supported by the National Natural Science Foundation of China
文摘Magnetic seeding agglomeration(MSA),i.e.,adding magnetic seeds and a low intensity pre-magnetization for fine agglomeration,was applied to the flotation of coal,pyrite and hematite ore slimes.Size analysis and flotation tests highlight that the MSA improved flotation recovery and kinetics of pyrite ore while causing some loss in selectivity,and in the presences of the polyacrylamide for coal and starch for hematite the agglomeration flotation was further strengthened due to the synergetic effect between the flocculants and magnetic seeds.Magnetism analyses and calculation confirmed the adsorption of magnetic seeds onto minerals,resulting in a decreased threshold magnetic field intensity for the MSA to happen.Then atomic force microscope(AFM)study found that there exists a long range force between magnetic seeds and minerals,which facilitates the adsorption of magnetic seeds on minerals.FTIR shows both the polyacrylamide and starch adsorbed onto minerals and magnetic seeds,thus acting as the bridging media between minerals and magnetic seeds,intensifying the agglomeration in flotation.Surface characterization of the MSA was understood by SEM imaging,and models of the MSA were proposed.
基金Supported by the Joint Funds of NSFC-Guangdong of China(U0834004)the Natural Science Foundation of Guangdong Province(06025657)
文摘Apatite-lanthanum silicate has attracted considerable interest in recent years due to its high oxide ion conductivity.In this paper,V-doped samples La10-xVx(SiO4) 6O3+x(0≤x≤1.5) were prepared by sol-gel method and the influences of V-dopant content on calcining temperature and conductivity were reported.The samples were characterized by thermal analysis(TG-DSC) ,X-ray diffraction(XRD) and scanning electron micrograph(SEM) . The apatite was obtained at 800°C,a relatively low temperature in comparison to 1500°C with the conventional solid-state method.The ceramic pellets sintered at 1200°C for 5 h showed a higher relative density than La9.33Si6O26 pellets sintered at 1400°C for 20 h.The conductivities of samples were measured by electrochemical impedance spectroscopy.The conductivity was improved with the increase of V-dopant content on La site.
基金Projects(51661005,U1612442)supported by the National Natural Science Foundation of ChinaProject(QKHJC[2017]1025)supported by the Natural Science Foundation of Guizhou Province,ChinaProject(2018JJ3560)supported by the Natural Science Foundation of Hunan Province,China。
文摘The phase transition of tungsten(W)under high pressures was investigated with molecular dynamics simulation.The structure was characterized in terms of the pair distribution function and the largest standard cluster analysis(LSCA).It is found that under 40−100 GPa at a cooling rate of 0.1 K/ps a pure W melt first crystallizes into the body-centred cubic(BCC)crystal,and then transfers into the hexagonal close-packed(HCP)crystal through a series of BCC−HCP coexisting states.The dynamic factors may induce intermediate stages during the liquid−solid transition and the criss-cross grain boundaries cause lots of indistinguishable intermediate states,making the first-order BCC−HCP transition appear to be continuous.Furthermore,LSCA is shown to be a parameter-free method that can effectively analyze both ordered and disordered structures.Therefore,LSCA can detect more details about the evolution of the structure in such structure transition processes with rich intermediate structures.
基金supported by the Program for New Century Excellent Talents in Universities(NCET-08-0054)the National Natural Science Foundation of China(20972019)
文摘Bifunctional molecules containing macrocyclic polyamine [12]aneN3 and carbazol units, 1-4, have been efficiently synthe sized and fully characterized. Through gel electrophoresis, atomic force microscopy, and dynamic light scattering experiments, compounds 3 and 4b bearing both [12]aneN3 and carbazol moieties showed effective DNA condensation ability at the concen- tration of 80 jaM. Investigations from EB displacement fluorescence spectra, viscosity titration, and ionic strength effects re vealed that the effective DNA condensation comes from the appropriate combination of carbazol and [12]aneN3 units in the bifunctional molecules, and the DNA condensation process is reversible. The incorporation of triazole units in the molecules clearly reduced the cytotoxicity.
基金the National Natural Science Foundation of China(51732011,51702310,21431006,and 21761132008)the Foundation for Innovative Research Groups of the National Natural Science Foundation of China(21521001)+2 种基金the Key Research Program of Frontier Sciences,CAS(QYZDJ-SSW-SLH036)the Users with Excellence and Scientific Research Grant of Hefei Science Center of CAS(2015HSC-UE007)Anhui Provincial Natural Science Foundation(1808085ME115)。
文摘Conductive and adhesive hydrogels are promising materials for designing bioelectronics.To satisfy the high conductivity of bioelectronic devices,metal nanomaterials have been used to fabricate composite hydrogels.However,the fabrication of a conductive-nanomaterial-incorporated hydrogel with high performance is a great challenge because of the easy aggregation nature of conductive nanomaterials making processing difficult.Here,we report a kind of adhesive aero-hydrogel hybrid conductor(AAHC)with stretchable,adhesive and anti-bacteria properties by in situ formation of a hydrogel network in the aerogel-silver nanowires(AgNWs)assembly.The AgNWs with good conductivity are wellintegrated on the inner-surface of shape-memory chitosan aerogel,which created a conductive framework to allow hydrogel back-filling.Reinforcement by the aerogel-silver makes the hybrid hydrogel tough and stretchable.Functional groups from the hydrogel allow strong adhesion to wet tissues through molecular stitches.The inherent bacteria-killing ability of silver ions endows the conductive hydrogel with excellent anti-bacteria performance.The proposed facile strategy of aerogel-assisted assembly of metal nanomaterials with hydrogel opens a new route to incorporate functional nanoscale building blocks into hydrogels.