A molecular dynamics simulation study has been performed for the microstructure evolution in a liquid metal Ni system during crystallization process at two cooling rates by adopting the embedded atom method （EAM） mo...A molecular dynamics simulation study has been performed for the microstructure evolution in a liquid metal Ni system during crystallization process at two cooling rates by adopting the embedded atom method （EAM） model potential. The bond-type index method of Honeycutt-Andersen （HA） and a new cluster-type index method （CTIM-2） have been used to detect and analyse the microstructures in this system. It is demonstrated that the cooling rate plays a critical role in the microstructure evolution： below the crystallization temperature Tc, the effects of cooling rate are very remarkable and can be fully displayed. At different cooling rates of 2.0 × 10^13 K·s^-1 and 1.0 × 10^12 K·s^-1, two different kinds of crystal structures are obtained in the system. The first one is the coexistence of the hcp （expressed by （12 0 0 0 6 6） in CTIM-2） and the fcc （12 0 0 0 12 0） basic clusters consisting of 1421 and 1422 bond-types, and the hcp basic cluster becomes the dominant one with decreasing temperature, the second one is mainly the fcc （12 0 0 0 12 0） basic clusters consisting of 1421 bond-type, and their crystallization temperatures Tc would be 1073 and 1173 K, respectively.展开更多
The microstructure of as-cast Zr60Al15Ni25 bulk metallic glass was investigated by high-resolution transmission electron microscopy. It is found that there exist numerous short-range order regions （SRORs） in the met...The microstructure of as-cast Zr60Al15Ni25 bulk metallic glass was investigated by high-resolution transmission electron microscopy. It is found that there exist numerous short-range order regions （SRORs） in the metallic glass though it is identified to be amorphous by X-ray diffraction method. Furthermore, the amorphous degree shows a close correlation with the microstructure of corresponding mother ingot. The crystallization kinetics was investigated by differential scanning calorimetry under isochronal and isothermal conditions. The results show that the crystallization is triggered by the growth of the pre-existing SRORs and the growth is three-dimension diffusion-controlled. The amorphous degree of Zr60Al15Ni25 bulk metallic glass considerably influences its crystallization kinetics, namely, the more homogeneous distribution of atoms results in a more sluggish nucleation behavior.展开更多
The non-noble metal modified sulfated zirconia was found easy to deactivate.Herein,highly active and highly stable non-noble core-shell Ni-S_(2)O_(8)^(2−)/Al_(2)O_(3)@ZrO_(2) catalysts(Ni-SA@Z-x,x=Al content in wt%)ha...The non-noble metal modified sulfated zirconia was found easy to deactivate.Herein,highly active and highly stable non-noble core-shell Ni-S_(2)O_(8)^(2−)/Al_(2)O_(3)@ZrO_(2) catalysts(Ni-SA@Z-x,x=Al content in wt%)have been successfully prepared and investigated for n-pentane isomerization.The results showed that the core-shell Ni-SA@Z-30 provided a sustained high isopentane yield(63.1%)with little or no deactivation within 5000 min at a mild reaction pressure of 2.0 MPa,which can be attributed to the following factors:(i)carbon deposition was greatly suppressed by the large pore size and huge pore volume;(ii)the loss of sulfur entities was suppressed because the small and highly dispersed tetragonal ZrO_(2) particles can bond with the S species strongly;(iii)strong Brønsted acidity can be maintained well after the isomerization.The pore structures and acid nature of the core-shell Ni-SA@Z-x are entirely different from those of the normal structure Ni-S_(2)O_(8)^(2−)/ZrO_(2)-Al_(2)O_(3),even though the Al content and the compositions of the individual components are the same.The Al_(2)O_(3)cores endow the catalysts with high internal surface area and high mechanical strength.Meanwhile,the ZrO_(2) shell,which consists of more and smaller tetragonal ZrO_(2) particles because of the large surface area of the Al_(2)O_(3)core,promotes the formation of more stable sulfur species and stronger binding sites.展开更多
The effects of Ce, Ti, Nb and C on the microstructures and mechanical properties of Ni Fe weld metal and the mechanism of their strengthening are discussed. Ce has the effect on graphite morphology and weld metal wit...The effects of Ce, Ti, Nb and C on the microstructures and mechanical properties of Ni Fe weld metal and the mechanism of their strengthening are discussed. Ce has the effect on graphite morphology and weld metal with spheroidal graphite has higher mechanical properties. The proper contents of Ti and Nb obviously increase the tensile strength of Ni Fe weld metal, which is mainly attributed to the austenite grain refining and second phase (TiC and NbC) strengthening. The excess C in weld metal results in increasing the quantity of carbide and graphite precipitating along the austenite grain boundary and decreasing the mechanical properties of Ni Fe weld metal.展开更多
The concentrations of Fe, Mn, Al, Zn, Pb, Ni, Cr, and As were measured in soils and leaves from 21 plant species growing on hills near the Beijing Steel Factory(BSF) and 17 plant species in the Beijing Botanical Garde...The concentrations of Fe, Mn, Al, Zn, Pb, Ni, Cr, and As were measured in soils and leaves from 21 plant species growing on hills near the Beijing Steel Factory(BSF) and 17 plant species in the Beijing Botanical Garden(BBG). The results showed that soils from BSF were Zn contaminated according to the threshold of natural background of China. There was a metal contamination of the soils by Ni, and Cr in BSF comparing with those in BBG. The comparison between concentrations of metals in leaves from both sites indicated that, in general, accumulation of metals in the leaves of the same species was significantly different between the two sites. Even within the same locality each species accumulation of metals was significantly variable. The study aimed to screen landscape plants for the capacity to clean-up toxic metals in soils, and developed an overall metal accumulation index(MAI) for leaves and then categorized the MAI that can be applied broadly in the selection of species in polluted areas. To do this, the spectrum of MAI values were divided into four classes: strongly accumulated(SA or grade I), moderately accumulated(MA or grade II), intermediately accumulated(IA or grade III), and weakly accumulated(WA or grade IV). The results showed that elemental association between Fe, Al, Ni, and As was generally highly correlated with each other in the sampling sites. This may suggest their common biochemical characteristics. Generally, those species containing strong and moderate accumulation in both sites are considered including Vitex negundo, Broussonetia papyrifera, Ulmus pumila, and Rubia cordifolia. At BSF and other industrial sites with a similar ecosystem, strong and moderate accumulation species include Sophora japonica, Ampelopsis aconitifolia var. glabra, Platycladus orientalis, Wikstroemia chamaedaphne, Cleistogenes squarrosa, Grewia biloba, and in BBG, in addition Setaria viridis, Cotinus coggygria, Lespedeza floribunda, Rhamnus parvifolia, Lespedeza tomentosa.展开更多
基金Project supported by the National Natural Science Foundation of China （Grant Nos 50271026 and 50571037）.
文摘A molecular dynamics simulation study has been performed for the microstructure evolution in a liquid metal Ni system during crystallization process at two cooling rates by adopting the embedded atom method （EAM） model potential. The bond-type index method of Honeycutt-Andersen （HA） and a new cluster-type index method （CTIM-2） have been used to detect and analyse the microstructures in this system. It is demonstrated that the cooling rate plays a critical role in the microstructure evolution： below the crystallization temperature Tc, the effects of cooling rate are very remarkable and can be fully displayed. At different cooling rates of 2.0 × 10^13 K·s^-1 and 1.0 × 10^12 K·s^-1, two different kinds of crystal structures are obtained in the system. The first one is the coexistence of the hcp （expressed by （12 0 0 0 6 6） in CTIM-2） and the fcc （12 0 0 0 12 0） basic clusters consisting of 1421 and 1422 bond-types, and the hcp basic cluster becomes the dominant one with decreasing temperature, the second one is mainly the fcc （12 0 0 0 12 0） basic clusters consisting of 1421 bond-type, and their crystallization temperatures Tc would be 1073 and 1173 K, respectively.
基金Project (50804032) supported by the National Natural Science Foundation of ChinaProject (2008011046) supported by the Natural Science Foundation of Shanxi Province, ChinaProject (20080321036) supported by the Key Technologies R & D Program of Shanxi Province, China
文摘The microstructure of as-cast Zr60Al15Ni25 bulk metallic glass was investigated by high-resolution transmission electron microscopy. It is found that there exist numerous short-range order regions （SRORs） in the metallic glass though it is identified to be amorphous by X-ray diffraction method. Furthermore, the amorphous degree shows a close correlation with the microstructure of corresponding mother ingot. The crystallization kinetics was investigated by differential scanning calorimetry under isochronal and isothermal conditions. The results show that the crystallization is triggered by the growth of the pre-existing SRORs and the growth is three-dimension diffusion-controlled. The amorphous degree of Zr60Al15Ni25 bulk metallic glass considerably influences its crystallization kinetics, namely, the more homogeneous distribution of atoms results in a more sluggish nucleation behavior.
文摘The non-noble metal modified sulfated zirconia was found easy to deactivate.Herein,highly active and highly stable non-noble core-shell Ni-S_(2)O_(8)^(2−)/Al_(2)O_(3)@ZrO_(2) catalysts(Ni-SA@Z-x,x=Al content in wt%)have been successfully prepared and investigated for n-pentane isomerization.The results showed that the core-shell Ni-SA@Z-30 provided a sustained high isopentane yield(63.1%)with little or no deactivation within 5000 min at a mild reaction pressure of 2.0 MPa,which can be attributed to the following factors:(i)carbon deposition was greatly suppressed by the large pore size and huge pore volume;(ii)the loss of sulfur entities was suppressed because the small and highly dispersed tetragonal ZrO_(2) particles can bond with the S species strongly;(iii)strong Brønsted acidity can be maintained well after the isomerization.The pore structures and acid nature of the core-shell Ni-SA@Z-x are entirely different from those of the normal structure Ni-S_(2)O_(8)^(2−)/ZrO_(2)-Al_(2)O_(3),even though the Al content and the compositions of the individual components are the same.The Al_(2)O_(3)cores endow the catalysts with high internal surface area and high mechanical strength.Meanwhile,the ZrO_(2) shell,which consists of more and smaller tetragonal ZrO_(2) particles because of the large surface area of the Al_(2)O_(3)core,promotes the formation of more stable sulfur species and stronger binding sites.
文摘The effects of Ce, Ti, Nb and C on the microstructures and mechanical properties of Ni Fe weld metal and the mechanism of their strengthening are discussed. Ce has the effect on graphite morphology and weld metal with spheroidal graphite has higher mechanical properties. The proper contents of Ti and Nb obviously increase the tensile strength of Ni Fe weld metal, which is mainly attributed to the austenite grain refining and second phase (TiC and NbC) strengthening. The excess C in weld metal results in increasing the quantity of carbide and graphite precipitating along the austenite grain boundary and decreasing the mechanical properties of Ni Fe weld metal.
文摘The concentrations of Fe, Mn, Al, Zn, Pb, Ni, Cr, and As were measured in soils and leaves from 21 plant species growing on hills near the Beijing Steel Factory(BSF) and 17 plant species in the Beijing Botanical Garden(BBG). The results showed that soils from BSF were Zn contaminated according to the threshold of natural background of China. There was a metal contamination of the soils by Ni, and Cr in BSF comparing with those in BBG. The comparison between concentrations of metals in leaves from both sites indicated that, in general, accumulation of metals in the leaves of the same species was significantly different between the two sites. Even within the same locality each species accumulation of metals was significantly variable. The study aimed to screen landscape plants for the capacity to clean-up toxic metals in soils, and developed an overall metal accumulation index(MAI) for leaves and then categorized the MAI that can be applied broadly in the selection of species in polluted areas. To do this, the spectrum of MAI values were divided into four classes: strongly accumulated(SA or grade I), moderately accumulated(MA or grade II), intermediately accumulated(IA or grade III), and weakly accumulated(WA or grade IV). The results showed that elemental association between Fe, Al, Ni, and As was generally highly correlated with each other in the sampling sites. This may suggest their common biochemical characteristics. Generally, those species containing strong and moderate accumulation in both sites are considered including Vitex negundo, Broussonetia papyrifera, Ulmus pumila, and Rubia cordifolia. At BSF and other industrial sites with a similar ecosystem, strong and moderate accumulation species include Sophora japonica, Ampelopsis aconitifolia var. glabra, Platycladus orientalis, Wikstroemia chamaedaphne, Cleistogenes squarrosa, Grewia biloba, and in BBG, in addition Setaria viridis, Cotinus coggygria, Lespedeza floribunda, Rhamnus parvifolia, Lespedeza tomentosa.
