The low-cost Fe-Cu,Fe-Ni,and Cu-based high-entropy alloys exhibit a widespread utilization prospect.However,these potential applications have been limited by their low strength.In this study,a novel Fe_(31)Cu_(31)Ni_(...The low-cost Fe-Cu,Fe-Ni,and Cu-based high-entropy alloys exhibit a widespread utilization prospect.However,these potential applications have been limited by their low strength.In this study,a novel Fe_(31)Cu_(31)Ni_(28)Al_(4)Ti_(3)Co_(3) immiscible high-entropy alloy(HEA)was developed.After vacuum arc melting and copper mold suction casting,this HEA exhibits a unique phase separation microstructure,which consists of striped Cu-rich regions and Fe-rich region.Further magnification of the striped Cu-rich region reveals that it is composed of a Cu-rich dot-like phase and a Fe-rich region.The aging alloy is further strengthened by a L1_(2)-Ni_(3)(AlTi)nanoprecipitates,achieving excellent yield strength(1185 MPa)and uniform ductility(~8.8%).The differential distribution of the L1_(2) nanoprecipitate in the striped Cu-rich region and the external Fe-rich region increased the strength difference between these two regions,which increased the strain gradient and thus improved hetero-deformation induced(HDI)hardening.This work provides a new route to improve the HDI hardening of Fe-Cu alloys.展开更多
The growth of intermetallic compounds at the interface between solid Al and Fe and the effects of intermetallic compound layers on the interfacial bonding of clad materials were investigated. The results showed that t...The growth of intermetallic compounds at the interface between solid Al and Fe and the effects of intermetallic compound layers on the interfacial bonding of clad materials were investigated. The results showed that the interface between the solid Fe and Al formed by heat-treatment consisted of Fe2Al5 and FeAl3 intermetallic compound layers, which deteriorated the interfacial bonding strength. Fractures occurred in the intermetallic compound layer during the shear testing. The location of the fracture depended on the defects of microcracks or voids in the intermetallic compound layers. The microcracks in the intermetallic compound layer were caused by the mismatch of thermal expansion coefficients of materials during cooling, and the voids were consistent with the Kirkendall effect. The work will lay an important foundation for welding and joining of aluminum and steel, especially for fabrication of Al-Fe clad materials.展开更多
La0.7Ce0.3Ni3.75Mn0.35Al0.15Cu0.75-xFex (x=0-0.20) hydrogen storage alloys were synthesized by induction melting and subsequent annealing treatment, and phase structure and electrochemical characteristics were inves...La0.7Ce0.3Ni3.75Mn0.35Al0.15Cu0.75-xFex (x=0-0.20) hydrogen storage alloys were synthesized by induction melting and subsequent annealing treatment, and phase structure and electrochemical characteristics were investigated. All alloys consist of a single LaNi5 phase with CaCu5 structure, and the lattice constant a and the cell volume (V) of the LaNi5 phase increase with increasing x value. The maximum discharge capacity gradually decreases from 319.0 mA?h/g (x=0) to 291.9 mA?h/g (x=0.20) with the increase in x value. The high-rate dischargeability at the discharge current density of 1200 mA/g decreases monotonically from 53.1% (x=0) to 44.2% (x=0.20). The cycling stability increases with increasing x from 0 to 0.20, which is mainly ascribed to the improvement of the pulverization resistance.展开更多
The mesoscopic failure mechanism and the macro-mechanical characteristics of soil-rock mixture(S-RM) under external load are largely controlled by S-RM's meso-structural features. The objective of this work is to ...The mesoscopic failure mechanism and the macro-mechanical characteristics of soil-rock mixture(S-RM) under external load are largely controlled by S-RM's meso-structural features. The objective of this work is to improve the three-dimensional technology for the generation of the random meso-structural models of S-RM, for randomly generating irregular rock blocks in S-RM with different shapes, sizes, and distributions according to the characteristics of the rock blocks' size distribution. Based on the new improved technology, a software system named as R-SRM3 D for generation and visualization of S-RM is developed. Using R-SRM3 D, a three-dimensional meso-structural model of S-RM is generated and used to study the meso-mechanical behavior through a series of true-triaxial numerical tests. From the numerical tests, the following conclusions are obtained. The meso-stress field of S-RM is influenced by the distribution of the internal rock blocks, and the macro-mechanical characteristics of S-RM are anisotropic in 3D; the intermediate principal stress and the soil-rock interface properties have significant influence on the macro strength of S-RM.展开更多
We introduce a continuous weight attack strategy and numerically investigate the effect of continuous weight attack strategy on the Barabasi-Albert (BA) scale-free network and the Erdos-Rdnyi (ER) random network. ...We introduce a continuous weight attack strategy and numerically investigate the effect of continuous weight attack strategy on the Barabasi-Albert (BA) scale-free network and the Erdos-Rdnyi (ER) random network. We use a weight coefficient ω to define the attack intensity. The weight coefficient ω increases continuously from 1 to infinity, where 1 represents no attack and infinity represents complete destructive attack. Our results show that the continuous weight attack on two selected nodes with small ω (ω≈ 3) could achieve the same damage of complete elimination of a single selected node on both BA and ER networks. It is found that the continuous weight attack on a single selected edge with small ω (ω≈ 2) can reach the same effect of complete elimination of a single edge on BA network, but on ER network the damage of the continuous weight attack on a single edge is c/ose to but always smaller than that of complete elimination of edge even if ω is very large.展开更多
The structural and thermodynamic properties of TiAI intermetallics under high pressure have been investigated by ab initio plane-wave pseudopotential density functional theory method. It is found that the ratio of lat...The structural and thermodynamic properties of TiAI intermetallics under high pressure have been investigated by ab initio plane-wave pseudopotential density functional theory method. It is found that the ratio of lattice parameter c to a keeps almost constant with a value of 1.02 under the pressure from 0 to 20 GPa, which agrees well with the experimental results. With the pressure increasing from 20 to 45 GPa the values of c/a decrease almost linearly from 1.02 to 0.99. These calculated results indicate under low pressure the variation rate for a-axis is almost the same to that for c-axis, but under higher pressure the variation for a-axis is smaller than along e-axis. Through the quasi-harmonic Debye model, the equation of state (EOS) of TiAI intermetallies, as well as the thermal expansion and heat capacity at various pressures and temperatures are also studied.展开更多
Catalysts for oxygen and hydrogen evolution reactions (OER/HER) are at the heart of renewable green energy sources such as water splitting. Although incredible efforts have been made to develop efficient catalysts f...Catalysts for oxygen and hydrogen evolution reactions (OER/HER) are at the heart of renewable green energy sources such as water splitting. Although incredible efforts have been made to develop efficient catalysts for OER and HER, great challenges still remain in the development of bifunctional catalysts. Here, we report a novel hybrid of Co3O4 embedded in tubular nanostructures of graphitic carbon nitride (GCN) and synthesized through a facile, large-scale chemical method at low temperature. Strong synergistic effects between Co3O4 and GCN resulted in excellent performance as a bifunctional catalyst for OER and HER. The high surface area, unique tubular nanostructure, and composition of the hybrid made all redox sites easily available for catalysis and provided faster ionic and electronic conduction. The Co3O4@GCN tubular nanostructured (TNS) hybrid exhibited the lowest overpotential (0.12 V) and excellent current density (147 mA/cm^2) in OER, better than benchmarks IrO2 and RuO2, and with superior durability in alkaline media. Furthermore, the Co3O4@GCN TNS hybrid demonstrated excellent performance in HER, with a much lower onset and overpotential, and a stable current density. It is expected that the Co3O4@GCN TNS hybrid developed in this study will be an attractive alternative to noble metals catalysts in large scale water splitting and fuel cells.展开更多
Anti-HIV screening with the MT-4/MTT assay on a focused library of structurally diverse natural products has led to the discovery of a group of steroids with potent activities, which include four new ergostane-type st...Anti-HIV screening with the MT-4/MTT assay on a focused library of structurally diverse natural products has led to the discovery of a group of steroids with potent activities, which include four new ergostane-type steroids, named amotsterols A-D (1-4), together with two known analogs. Among them, the most potent amotsterol D (4) exhibited anti-HIV activity against wild- type and some clinically relevant multidrug resistant HIV-I strains. Subsequent studies on its target identification through a proteomic approach found that compound 4 might target PKM2, a rate limiting enzyme ofglycolysis, in host cells to restrict HIV replication. The docking model of compound 4 to PKM2 showed that the two hydroxyl groups of 4 form hydrogen bonds with the two parallel Y390 in each subunit of PKM2 separately, and the ring C of 4 is sandwiched between the two parallel aromatic rings ofF26. The identified hit compound may have the potential to be further developed as a novel anti-HIVagent. These results demonstrated that an integrated approach, which combines new chemical structures and phenotypic screening with a proteomic approach, could not only identify novel HIV-1 inhibitors, but also elucidate the unknown targets of compound interactions in antiviral drug discovery.展开更多
基金Projects(52001083,52171111,U2141207)supported by the National Natural Science Foundation of ChinaProject(LH2020E060)supported by the Natural Science Foundation of Heilongjiang,China。
文摘The low-cost Fe-Cu,Fe-Ni,and Cu-based high-entropy alloys exhibit a widespread utilization prospect.However,these potential applications have been limited by their low strength.In this study,a novel Fe_(31)Cu_(31)Ni_(28)Al_(4)Ti_(3)Co_(3) immiscible high-entropy alloy(HEA)was developed.After vacuum arc melting and copper mold suction casting,this HEA exhibits a unique phase separation microstructure,which consists of striped Cu-rich regions and Fe-rich region.Further magnification of the striped Cu-rich region reveals that it is composed of a Cu-rich dot-like phase and a Fe-rich region.The aging alloy is further strengthened by a L1_(2)-Ni_(3)(AlTi)nanoprecipitates,achieving excellent yield strength(1185 MPa)and uniform ductility(~8.8%).The differential distribution of the L1_(2) nanoprecipitate in the striped Cu-rich region and the external Fe-rich region increased the strength difference between these two regions,which increased the strain gradient and thus improved hetero-deformation induced(HDI)hardening.This work provides a new route to improve the HDI hardening of Fe-Cu alloys.
基金Project(2011DFR50630)sponsored by the International S&T Cooperation of China
文摘The growth of intermetallic compounds at the interface between solid Al and Fe and the effects of intermetallic compound layers on the interfacial bonding of clad materials were investigated. The results showed that the interface between the solid Fe and Al formed by heat-treatment consisted of Fe2Al5 and FeAl3 intermetallic compound layers, which deteriorated the interfacial bonding strength. Fractures occurred in the intermetallic compound layer during the shear testing. The location of the fracture depended on the defects of microcracks or voids in the intermetallic compound layers. The microcracks in the intermetallic compound layer were caused by the mismatch of thermal expansion coefficients of materials during cooling, and the voids were consistent with the Kirkendall effect. The work will lay an important foundation for welding and joining of aluminum and steel, especially for fabrication of Al-Fe clad materials.
基金Project (51001043) supported by the National Natural Science Foundation of ChinaProject (NCET2011) supported by Program for New Century Excellent Talents in University, China+4 种基金Project (201104390) supported by China Postdoctoral Science Special FoundationProject (20100470990) supported by China Postdoctoral Science FoundationProject (2012IRTSTHN007) supported by Program for Innovative Research Team (in Science and Technology) in the University of Henan Province, ChinaProject (2011J1003) supported by Baotou Science and Technology Project, ChinaProject (B2010-13) supported by the Doctoral Foundation of Henan Polytechnic University, China
文摘La0.7Ce0.3Ni3.75Mn0.35Al0.15Cu0.75-xFex (x=0-0.20) hydrogen storage alloys were synthesized by induction melting and subsequent annealing treatment, and phase structure and electrochemical characteristics were investigated. All alloys consist of a single LaNi5 phase with CaCu5 structure, and the lattice constant a and the cell volume (V) of the LaNi5 phase increase with increasing x value. The maximum discharge capacity gradually decreases from 319.0 mA?h/g (x=0) to 291.9 mA?h/g (x=0.20) with the increase in x value. The high-rate dischargeability at the discharge current density of 1200 mA/g decreases monotonically from 53.1% (x=0) to 44.2% (x=0.20). The cycling stability increases with increasing x from 0 to 0.20, which is mainly ascribed to the improvement of the pulverization resistance.
基金Project(51109117)supported by the National Natural Science Foundation of ChinaProject(20111081125)supported by the Independent Research Plan of Tsinghua University,ChinaProject(2013-KY-4)supported by the State Key Laboratory of Hydroscience and Engineering Project,China
文摘The mesoscopic failure mechanism and the macro-mechanical characteristics of soil-rock mixture(S-RM) under external load are largely controlled by S-RM's meso-structural features. The objective of this work is to improve the three-dimensional technology for the generation of the random meso-structural models of S-RM, for randomly generating irregular rock blocks in S-RM with different shapes, sizes, and distributions according to the characteristics of the rock blocks' size distribution. Based on the new improved technology, a software system named as R-SRM3 D for generation and visualization of S-RM is developed. Using R-SRM3 D, a three-dimensional meso-structural model of S-RM is generated and used to study the meso-mechanical behavior through a series of true-triaxial numerical tests. From the numerical tests, the following conclusions are obtained. The meso-stress field of S-RM is influenced by the distribution of the internal rock blocks, and the macro-mechanical characteristics of S-RM are anisotropic in 3D; the intermediate principal stress and the soil-rock interface properties have significant influence on the macro strength of S-RM.
基金supported by National Natural Science Foundation of China under Grant Nos.10675048 and 10604017
文摘We introduce a continuous weight attack strategy and numerically investigate the effect of continuous weight attack strategy on the Barabasi-Albert (BA) scale-free network and the Erdos-Rdnyi (ER) random network. We use a weight coefficient ω to define the attack intensity. The weight coefficient ω increases continuously from 1 to infinity, where 1 represents no attack and infinity represents complete destructive attack. Our results show that the continuous weight attack on two selected nodes with small ω (ω≈ 3) could achieve the same damage of complete elimination of a single selected node on both BA and ER networks. It is found that the continuous weight attack on a single selected edge with small ω (ω≈ 2) can reach the same effect of complete elimination of a single edge on BA network, but on ER network the damage of the continuous weight attack on a single edge is c/ose to but always smaller than that of complete elimination of edge even if ω is very large.
基金Support from Ph. D. Program Foundation (B2009-59)the National Science Foundations of China under Grant No. 50802024+1 种基金Henan Educational Committee under Grant No. 2011A140007Young Key Teacher by Henan Polytechnic University
文摘The structural and thermodynamic properties of TiAI intermetallics under high pressure have been investigated by ab initio plane-wave pseudopotential density functional theory method. It is found that the ratio of lattice parameter c to a keeps almost constant with a value of 1.02 under the pressure from 0 to 20 GPa, which agrees well with the experimental results. With the pressure increasing from 20 to 45 GPa the values of c/a decrease almost linearly from 1.02 to 0.99. These calculated results indicate under low pressure the variation rate for a-axis is almost the same to that for c-axis, but under higher pressure the variation for a-axis is smaller than along e-axis. Through the quasi-harmonic Debye model, the equation of state (EOS) of TiAI intermetallies, as well as the thermal expansion and heat capacity at various pressures and temperatures are also studied.
基金Acknowledgements Work at Beijing Institute of Technology was supported by the National Natural Science Foundation of China (Nos. 23171023 and 50972017) and Doctoral Program of the Ministry of Education of China (No. 20101101110026) Work at Peking University was supported by the NSFC-RGC Joint Research Scheme (No. 51361165201), the National Natural Science Foundation of China (Nos. 51125001 and 51172005), Beijing Natural Science Foundation (No. 2122022) and Doctoral Program of the Ministry of Education of China (No. 20120001110078). Deanship of Scientific Research at King Saud University through Prolific Research Group Project (No. PRG-1436-25).
文摘Catalysts for oxygen and hydrogen evolution reactions (OER/HER) are at the heart of renewable green energy sources such as water splitting. Although incredible efforts have been made to develop efficient catalysts for OER and HER, great challenges still remain in the development of bifunctional catalysts. Here, we report a novel hybrid of Co3O4 embedded in tubular nanostructures of graphitic carbon nitride (GCN) and synthesized through a facile, large-scale chemical method at low temperature. Strong synergistic effects between Co3O4 and GCN resulted in excellent performance as a bifunctional catalyst for OER and HER. The high surface area, unique tubular nanostructure, and composition of the hybrid made all redox sites easily available for catalysis and provided faster ionic and electronic conduction. The Co3O4@GCN tubular nanostructured (TNS) hybrid exhibited the lowest overpotential (0.12 V) and excellent current density (147 mA/cm^2) in OER, better than benchmarks IrO2 and RuO2, and with superior durability in alkaline media. Furthermore, the Co3O4@GCN TNS hybrid demonstrated excellent performance in HER, with a much lower onset and overpotential, and a stable current density. It is expected that the Co3O4@GCN TNS hybrid developed in this study will be an attractive alternative to noble metals catalysts in large scale water splitting and fuel cells.
基金supported by the National Natural Science Foundation of China (21532007, U1302222)the "Personalized Medicines-Molecular Signature-based Drug Discovery and Development"+1 种基金Strategic Priority Research Program of the Chinese Academy of Sciences (XDA12020321)the Canadian Institutes for Health Research (CIHR)
文摘Anti-HIV screening with the MT-4/MTT assay on a focused library of structurally diverse natural products has led to the discovery of a group of steroids with potent activities, which include four new ergostane-type steroids, named amotsterols A-D (1-4), together with two known analogs. Among them, the most potent amotsterol D (4) exhibited anti-HIV activity against wild- type and some clinically relevant multidrug resistant HIV-I strains. Subsequent studies on its target identification through a proteomic approach found that compound 4 might target PKM2, a rate limiting enzyme ofglycolysis, in host cells to restrict HIV replication. The docking model of compound 4 to PKM2 showed that the two hydroxyl groups of 4 form hydrogen bonds with the two parallel Y390 in each subunit of PKM2 separately, and the ring C of 4 is sandwiched between the two parallel aromatic rings ofF26. The identified hit compound may have the potential to be further developed as a novel anti-HIVagent. These results demonstrated that an integrated approach, which combines new chemical structures and phenotypic screening with a proteomic approach, could not only identify novel HIV-1 inhibitors, but also elucidate the unknown targets of compound interactions in antiviral drug discovery.