Anthropogenic activities have contributed to pollution of water bodies through deposition of diverse pollutants amongst which are heavy metals. These pollutants, which at times are above the maximum concentration leve...Anthropogenic activities have contributed to pollution of water bodies through deposition of diverse pollutants amongst which are heavy metals. These pollutants, which at times are above the maximum concentration levels recommended, are detrimental to the quality of the water, soil and crops (plant) with subsequent human health risks. The objective of the work was to evaluate the impacts of human-based activities on the heavy metal properties of surface water with focus on the Kumba River basin. Field observations, interviews, field measurements and laboratory analyses of different water samples enabled us to collect the different data. The results show four main human-based activities within the river basin (agriculture, livestock production, domestic waste disposal and carwash activities) that pollute surface water. Approximately 20.61 tons of nitrogen and phosphorus from agricultural activities, 156.48 tons of animal wastes, 2517.5 tons of domestic wastes and 1.52 tons of detergent from carwash activities were deposited into the river each year. A highly significant difference at 1% was observed between the upstream and downstream heavy metal loads in four of the five heavy metals tested except for copper that was not significant. Lead concentrations were highest in all the activities with an average of 2.4 mg∙L<sup>−</sup><sup>1</sup> representing 57.81%, followed by zinc with 1.596 mg∙L<sup>−</sup><sup>1</sup> (38.45%) and manganese with 0.155 mg∙L<sup>−</sup><sup>1</sup> (3.74%) for the different anthropogenic activities thus indicating that these activities highly lead to pollution of the Kumba River water. The level of zinc and manganese was significantly influenced at ρ 005 by anthropogenic activities though generally the variations were in the order: carwash (3.196 mg∙L<sup>−</sup><sup>1</sup>) < domestic waste disposal (3.347 mg∙L<sup>−</sup><sup>1</sup>) < agriculture (4.172 mg∙L<sup>−</sup><sup>1</sup>) < livestock (4.886 mg∙L<sup>−</sup><sup>1</sup>) respectively and leading to a total of 14.04 tons of heavy metal pollutants deposited each day.展开更多
Bulk metallic glasses with up to 72 mm critical section thickness have been obtained by conventional casting techniques and the properties of these materials, particularly the mechanical and magnetic properties have b...Bulk metallic glasses with up to 72 mm critical section thickness have been obtained by conventional casting techniques and the properties of these materials, particularly the mechanical and magnetic properties have been studied. These materials have been demonstrated to have novel properties which are fundamentally different from their crystalline counterparts. The recent status of research and development in formation, structure and properties of bulk metallic glasses is reviewed. The techniques to produce such bulk glasses are summarized and the glass forming ability and the critical cooling rate of these materials are discussed. Further consideration of the development and application of this new class of materiaIs will be proposed.展开更多
We systematically measure the superconducting(SC)and mixed state properties of high-quality CsV_3 Sb_5 single crystals with T_c-3.5 K.We find that the upper critical field H_(c2)(T)exhibits a large anisotropic ratio o...We systematically measure the superconducting(SC)and mixed state properties of high-quality CsV_3 Sb_5 single crystals with T_c-3.5 K.We find that the upper critical field H_(c2)(T)exhibits a large anisotropic ratio of H_(c2)^(ab)/H_(c2)^c^9 at zero temperature and fitting its temperature dependence requires a minimum two-band effective model.Moreover,the ratio of the lower critical field,H_(c1)^(ab)/H_(c1)^c,is also found to be larger than 1,which indicates that the in-plane energy dispersion is strongly renormalized near Fermi energy.Both H_(c1)(T)and SC diamagnetic signal are found to change little initially below T_c-3.5 K and then to increase abruptly upon cooling to a characteristic temperature of-2.8 K.Furthermore,we identify a two-fold anisotropy of in-plane angular-dependent magnetoresistance in the mixed state.Interestingly,we find that,below the same characteristic T-2.8 K,the orientation of this two-fold anisotropy displays a peculiar twist by an angle of 60°characteristic of the Kagome geometry.Our results suggest an intriguing superconducting state emerging in the complex environment of Kagome lattice,which,at least,is partially driven by electron-electron correlation.展开更多
The cleavage force F(z) needed to separate parallel atomic planes by a distance z is first discussed for simple s-p metals using density functional theory.For the s-p nearly free-electron metals the linearized Thomas-...The cleavage force F(z) needed to separate parallel atomic planes by a distance z is first discussed for simple s-p metals using density functional theory.For the s-p nearly free-electron metals the linearized Thomas-Fermi equation is solved self-consistently in the cases of (a) semi-infinite planes of jellium (i.e. smeared uniform positive ions) and (b) a semi-infinite cylinder of finite radius, cleaved by a plane perpendicular to its axis. In (a), the elastic region has the form F(z)=Az ∝ Zrs-11/2, where rs is the mean interelectronic distance in the jellium model. Size effects are then considered, with possible relevance to atomic force microscopy.Defect energies are treated, using both electron theory and pair force laws.展开更多
La2 VMnO6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La2NbMnO6 is investigated using the density functional theory. The calculated results indicate that La...La2 VMnO6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La2NbMnO6 is investigated using the density functional theory. The calculated results indicate that La2 NbMnO6 is also ferrimagnetic and exhibits the half metallic properties due to the strong electron correlation of Mn. The valence states of Nb and Mn are assigned to be 4-4 and +2 in La2NbMn06, respectively, which are different from V3+/Mn3+ in La2 VMnO6.展开更多
Nanometer-sized metal clusters were prepared inside single crystalline MgO films by vacuum co-deposition of metals and MgO. The atomic structure was studied by high-resolution electron microscopy (HREM) and nm-area el...Nanometer-sized metal clusters were prepared inside single crystalline MgO films by vacuum co-deposition of metals and MgO. The atomic structure was studied by high-resolution electron microscopy (HREM) and nm-area electron diffraction. The size of the clusters is ranging from 1 nm to 3 nm without those larger than 5 nm, and most of them have definite epitaxial orientations with the MgO matrix films. The character of the composite films is very much useful for the studies of various kinds of physical properties with anisotroPy. The physical properties such as electric transport, magnetic, optical absorption, sintering and catalytic ones were thus measured on the same samples analyzed by HREM by using high sensitivity apparatus with interest of clarifying the retationship between the atomic structure and physical properties展开更多
A novel molecular probe for identifying properties of supported transition metals and metal oxides catalysts was established.The catalytic mechanism of transition metals was proposed.
The Al_2O_3-(W,Ti)C composites with Ni and Mo additions varying from 0vol% to 12vol% were prepared via hot pressing sintering under 30 MPa. The microstructure was investigated via X-ray diffraction(XRD) and scanni...The Al_2O_3-(W,Ti)C composites with Ni and Mo additions varying from 0vol% to 12vol% were prepared via hot pressing sintering under 30 MPa. The microstructure was investigated via X-ray diffraction(XRD) and scanning electron microscopy(SEM) equipped with energy dispersive spectrometry(EDS). Mechanical properties such as flexural strength, fracture toughness, and Vickers hardness were also measured. Results show that the main phases A12O3 and(W,Ti)C were detected by XRD. Compound Mo Ni also existed in sintered nanocomposites. The fracture modes of the nanocomposites were both intergranular and transgranular fractures. The plastic deformation of metal particles and crack bridging were the main toughening mechanisms. The maximum flexural strength and fracture toughness were obtained for 9vol% and 12vol% additions of Ni and Mo, respectively. The hardness of the composites reduced gradually with increasing content of metals Ni and Mo.展开更多
The spontaneous magnetic transitions and corresponding magnetoelastic properties of intermetallic compounds RMn2Ge2(R=Gd, Tb and Dy) were investigated by using the X-ray diffraction method and magnetic measurement. ...The spontaneous magnetic transitions and corresponding magnetoelastic properties of intermetallic compounds RMn2Ge2(R=Gd, Tb and Dy) were investigated by using the X-ray diffraction method and magnetic measurement. The results showed that the compounds experience two magnetic transitions, namely the second-order paramagnetic to antiferromagnetic transition at temperature TN(TN=368, 423 and 443 K for Gd Mn2 Ge2, Tb Mn2 Ge2 and Dy Mn2 Ge2, respectively) and the first-order antiferromagnetic-ferrimagnetic transition at temperature Tt(Tt=96, 80 and 40 K for Gd Mn2 Ge2, Tb Mn2 Ge2 and Dy Mn2 Ge2, respectively) as the temperature decreases. The temperature dependence of the lattice constant a(T) displays a negative magnetoelastic anomaly at the second-order transition point TN and, at the first-order transition Tt, a increases abruptly for Gd Mn2 Ge2 and Tb Mn2 Ge2, Da/a about 10^(-3). Nevertheless, the lattice constant c almost does not change at these transition points indicating that such magnetoelastic anomalies are mainly contributed by the Mn-sublattice. The transitions of the magnetoelastic properties are also evidenced on the temperature dependence of magnetic susceptibility χ. The first-order transition behavior at Tt is explained by the Kittel mode of exchange inversion.展开更多
The coordination-dependent force fleld of TersofF for covalently bonded Si has been used tocalculate the cleavage force as a function of interplanar separation and hence to estimate surfaceenergies. This force field i...The coordination-dependent force fleld of TersofF for covalently bonded Si has been used tocalculate the cleavage force as a function of interplanar separation and hence to estimate surfaceenergies. This force field is already fitted to density functional results. The relation to bond-breaking and electron correlation will be emphasized. Finnis-Sinclair-type many-body potentialshave then been used to treat some d-electron metals. In particular, results for cleavage forcein bcc Fe will be presented, and also some calculations as two perfectly planar Fe surfaces arerubbed together' at different interplanar separations. Finally, lattice dynamical models for thesteady-state propagation of a screw dislocation, and then of a crack, will be used, again within abond-breaking type of force field. For the screw dislocation propagation. a solitary wave equationis shown to follow in the 'almost continuum' limit. Energy radiated by phonons as the dislocationmoves can thereby be calculated.展开更多
Metal particles such as aluminum( Al),magnesium( Mg),boron( B) and nickel( Ni),as well as Mg/Al alloy( Mg/Al = 3/4) are currently the most widely used ingredients in modified doublebase propellants. In this ...Metal particles such as aluminum( Al),magnesium( Mg),boron( B) and nickel( Ni),as well as Mg/Al alloy( Mg/Al = 3/4) are currently the most widely used ingredients in modified doublebase propellants. In this contribution,the combustion properties of the metal species are studied by means of the high-speed photography technique and the non-contact wavelet-based measurement of flame temperature distribution. The combustion process of the Al,Mg and Mg/Al samples shows both gas phase reaction and surface oxidation,which yield volatile and nonvolatile products,corresponding to the oxide and suboxide respectively. However,the combustion of B and Ni shows only gas phase reaction,due to their high melting point as well as high enthalpy of vaporization. In addition to the experiments,a hypothetical combustion model has been proposed to clarify the combustion characteristics of metal species in modified double-base propellants.展开更多
Aromatic bond including metallic atom (Ni) is investigated by EHMO calculation.The NMR spectra and the mechanism for hydrolysis are discussed on the ground of results of computation.
Researchers at the U.S.Department of Energy's Ames Laboratory are working towards mastering graphene's assembly in combination with other materials—a tricky,delicate process performed in ultra-high vacuum env...Researchers at the U.S.Department of Energy's Ames Laboratory are working towards mastering graphene's assembly in combination with other materials—a tricky,delicate process performed in ultra-high vacuum environments at the atomic scale.Recently,they published a paper where they reveal that they have conquered a new milestone in展开更多
The paper is devoted to mathematical modelling of static and dynamic stability of a simply supported three-layered beam with a metal foam core. Mechanical properties of the core vary along the vertical direction. The ...The paper is devoted to mathematical modelling of static and dynamic stability of a simply supported three-layered beam with a metal foam core. Mechanical properties of the core vary along the vertical direction. The field of displacements is for- mulated using the classical broken line hypothesis and the proposed nonlinear hypothesis that generalizes the classical one. Using both hypotheses, the strains are determined as well as the stresses of each layer. The kinetic energy, the elastic strain energy, and the work of load are also determined. The system of equations of motion is derived using Hamilton's principle. Finally, the system of three equations is reduced to one equation of motion, in particular, the Mathieu equation. The Bubnov-Galerkin method is used to solve the system of equations of motion, and the Runge-Kutta method is used to solve the second-order differential equation. Numerical calculations are done for the chosen family of beams. The critical loads, unstable regions, angular frequencies of the beam, and the static and dynamic equilibrium paths are calculated analytically and verified numerically. The results of this study are presented in the forms of figures and tables.展开更多
Butt joints between Mg alloy AZ31 B and pure Al 1 060 sheets were produced via metal inert gas welding process with Zn-Cd alloy foil. Crack-free Al/Mg butt joints between AZ31 B Mg alloy and pure Al 1060 sheets were o...Butt joints between Mg alloy AZ31 B and pure Al 1 060 sheets were produced via metal inert gas welding process with Zn-Cd alloy foil. Crack-free Al/Mg butt joints between AZ31 B Mg alloy and pure Al 1060 sheets were obtained. Intermetallic compound layer 1 and layer 2 had formed in fusion zone/Mg alloy and the average thickness of the layer 1 was about 50 μm. The intermetallic compound layer 1 consisted of Al12Mg17 and Mg2Si phases while layer 2 consisted of Al12Mg17, Mg2Si and Mg Zn2 phases. The crack started from the IMC layer at the bottom of the joint and propagated along the brittle IMC layer, then expanded into weld metal during the SEM in situ tensile test. The highest tensile strength of the dissimilar metal butt joints could reach 46.8 MPa and the effect ofinterfacial IMC layer on mechanical property of the joint was discussed in detail in the present study.展开更多
The mechanical, electrical, and thermal expansion properties of carbon nanotube(CNT)-based silver and silver–palladium(10:1, w/w) alloy nanocomposites are reported. To tailor the properties of silver, CNTs were ...The mechanical, electrical, and thermal expansion properties of carbon nanotube(CNT)-based silver and silver–palladium(10:1, w/w) alloy nanocomposites are reported. To tailor the properties of silver, CNTs were incorporated into a silver matrix by a modified molecular level-mixing process. CNTs interact weakly with silver because of their non-reactive nature and lack of mutual solubility. Therefore, palladium was utilized as an alloying element to improve interfacial adhesion. Comparative microstructural characterizations and property evaluations of the nanocomposites were performed. The structural characterizations revealed that decorated type-CNTs were dispersed, embedded, and anchored into the silver matrix. The experimental results indicated that the modification of the silver and silver–palladium nanocomposite with CNT resulted in increases in the hardness and Young's modulus along with concomitant decreases in the electrical conductivity and the coefficient of thermal expansion(CTE). The hardness and Young's modulus of the nanocomposites were increased by 30%?40% whereas the CTE was decreased to 50%-60% of the CTE of silver. The significantly improved CTE and the mechanical properties of the CNT-reinforced silver and silver–palladium nanocomposites are correlated with the intriguing properties of CNTs and with good interfacial adhesion between the CNTs and silver as a result of the fabrication process and the contact action of palladium as an alloying element.展开更多
In the present study,the chemical and mechanical properties and the thermal expansion of a carbon nanotube(CNT)-based crystalline nano-aluminum(nano Al) composite were reported.The properties of nanocomposites wer...In the present study,the chemical and mechanical properties and the thermal expansion of a carbon nanotube(CNT)-based crystalline nano-aluminum(nano Al) composite were reported.The properties of nanocomposites were tailored by incorporating CNTs into the nano Al matrix using a physical mixing method.The elastic moduli and the coefficient of thermal expansion(CTE) of the nanocomposites were also estimated to understand the effects of CNT reinforcement in the Al matrix.Microstructural characterization of the nanocomposite reveals that the CNTs are dispersed and embedded in the Al matrix.The experimental results indicate that the incorporation of CNTs into the nano Al matrix results in the increase in hardness and elastic modulus along with a concomitant decrease in the coefficient of thermal expansion The hardness and elastic modulus of the nanocomposite increase by 21%and 20%,respectively,upon CNT addition.The CTE of CNT/A1 nanocomposite decreases to 70%compared with that of nano Al.展开更多
Four Zr–Cu–Fe–Al-based bulk metallic glasses(BMGs) with Zr contents greater than 65at% and minor additions of Nb were designed and prepared. The glass forming abilities, thermal stabilities, mechanical properties...Four Zr–Cu–Fe–Al-based bulk metallic glasses(BMGs) with Zr contents greater than 65at% and minor additions of Nb were designed and prepared. The glass forming abilities, thermal stabilities, mechanical properties, and corrosion resistance properties of the prepared BMGs were investigated. These BMGs exhibit moderate glass forming abilities along with superior fracture and yield strengths compared to previously reported Zr–Cu–Fe–Al BMGs. Specifically, the addition of Nb into this quaternary system remarkably increases the plastic strain to 27.5%, which is related to the high Poisson's ratio and low Young's and shear moduli. The Nb-bearing BMGs also exhibit a lower corrosion current density by about one order of magnitude and a wider passive region than 316 L steel in phosphate buffer solution(PBS, pH 7.4). The combination of the optimized composition with high deformation ability, low Young's modulus, and excellent corrosion resistance properties indicates that this kind of BMG is promising for biomedical applications.展开更多
In the present study, pure iron/copper composite metal cladding was deposited onto carbon steel by tungsten inert gas welding. The study focused on interfacial morphological, microstructural, and mechanical analyses o...In the present study, pure iron/copper composite metal cladding was deposited onto carbon steel by tungsten inert gas welding. The study focused on interfacial morphological, microstructural, and mechanical analyses of the composite cladding layers. Iron liquid–solid-phase zones were formed at copper/steel and iron interfaces because of the melting of the steel substrate and iron. Iron concentrated in the copper cladding layer was observed to exhibit belt, globule, and dendrite morphologies. The appearance of iron-rich globules indicated the occurrence of liquid phase separation(LPS) prior to solidification, and iron-rich dendrites crystallized without the occurrence of LPS. The maximum microhardness of the iron/steel interface was lower than that of the copper/steel interface because of the diffusion of elemental carbon. All samples fractured in the cladding layers. Because of a relatively lower strength of the copper layer, a short plateau region appeared when shear movement was from copper to iron.展开更多
Glass-forming ability(GFA) and mechanical properties of(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(100-x)Lu_x(x= 0-3 at%) alloys have been investigated.The GFA of Zr_(58)Nb_3Cu_(16)Ni_(13)...Glass-forming ability(GFA) and mechanical properties of(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(100-x)Lu_x(x= 0-3 at%) alloys have been investigated.The GFA of Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy is dramatically enhanced by adding Lu.The(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(98)Lu_2 alloy possesses the highest GFA in the studied Zr-Nb-Cu-Ni-Al-Lu alloys,with its critical diameter for glass formation reaching 20 mm by copper-mould casting method,while that of the Lu-free Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy is 7 mm.The critical diameters of(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(100-x)Lu_x(x =1 at%and 3 at%) alloys are 15 mm and 12 mm,respectively.The Lu addition to Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy induces the change of initial crystallization phases from face-centred-cubic Zr_2Ni and tetragonal Zr_2Ni phases for the Lu-free Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy to an icosahedral quasi-crystalline phase for the Lu-doped alloys,which may be the origin for the enhanced GFA of the Lu-doped alloys.The compressive fracture strength and plastic strain of the bulk glassy(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(98)Lu_2 alloy are1 610 MPa and 1.5%,respectively.展开更多
文摘Anthropogenic activities have contributed to pollution of water bodies through deposition of diverse pollutants amongst which are heavy metals. These pollutants, which at times are above the maximum concentration levels recommended, are detrimental to the quality of the water, soil and crops (plant) with subsequent human health risks. The objective of the work was to evaluate the impacts of human-based activities on the heavy metal properties of surface water with focus on the Kumba River basin. Field observations, interviews, field measurements and laboratory analyses of different water samples enabled us to collect the different data. The results show four main human-based activities within the river basin (agriculture, livestock production, domestic waste disposal and carwash activities) that pollute surface water. Approximately 20.61 tons of nitrogen and phosphorus from agricultural activities, 156.48 tons of animal wastes, 2517.5 tons of domestic wastes and 1.52 tons of detergent from carwash activities were deposited into the river each year. A highly significant difference at 1% was observed between the upstream and downstream heavy metal loads in four of the five heavy metals tested except for copper that was not significant. Lead concentrations were highest in all the activities with an average of 2.4 mg∙L<sup>−</sup><sup>1</sup> representing 57.81%, followed by zinc with 1.596 mg∙L<sup>−</sup><sup>1</sup> (38.45%) and manganese with 0.155 mg∙L<sup>−</sup><sup>1</sup> (3.74%) for the different anthropogenic activities thus indicating that these activities highly lead to pollution of the Kumba River water. The level of zinc and manganese was significantly influenced at ρ 005 by anthropogenic activities though generally the variations were in the order: carwash (3.196 mg∙L<sup>−</sup><sup>1</sup>) < domestic waste disposal (3.347 mg∙L<sup>−</sup><sup>1</sup>) < agriculture (4.172 mg∙L<sup>−</sup><sup>1</sup>) < livestock (4.886 mg∙L<sup>−</sup><sup>1</sup>) respectively and leading to a total of 14.04 tons of heavy metal pollutants deposited each day.
文摘Bulk metallic glasses with up to 72 mm critical section thickness have been obtained by conventional casting techniques and the properties of these materials, particularly the mechanical and magnetic properties have been studied. These materials have been demonstrated to have novel properties which are fundamentally different from their crystalline counterparts. The recent status of research and development in formation, structure and properties of bulk metallic glasses is reviewed. The techniques to produce such bulk glasses are summarized and the glass forming ability and the critical cooling rate of these materials are discussed. Further consideration of the development and application of this new class of materiaIs will be proposed.
基金Supported by the National Natural Science Foundation of China (Grant Nos.11834016,11888101,12061131005,51771224 and61888102)the National Key Research and Development Projects of China (Grant Nos.2017YFA0303003 and 2018YFA0305800)the Key Research Program and Strategic Priority Research Program of Frontier Sciences of the Chinese Academy of Sciences (Grant Nos.QYZDY-SSW-SLH001,XDB33010200 and XDB25000000)。
文摘We systematically measure the superconducting(SC)and mixed state properties of high-quality CsV_3 Sb_5 single crystals with T_c-3.5 K.We find that the upper critical field H_(c2)(T)exhibits a large anisotropic ratio of H_(c2)^(ab)/H_(c2)^c^9 at zero temperature and fitting its temperature dependence requires a minimum two-band effective model.Moreover,the ratio of the lower critical field,H_(c1)^(ab)/H_(c1)^c,is also found to be larger than 1,which indicates that the in-plane energy dispersion is strongly renormalized near Fermi energy.Both H_(c1)(T)and SC diamagnetic signal are found to change little initially below T_c-3.5 K and then to increase abruptly upon cooling to a characteristic temperature of-2.8 K.Furthermore,we identify a two-fold anisotropy of in-plane angular-dependent magnetoresistance in the mixed state.Interestingly,we find that,below the same characteristic T-2.8 K,the orientation of this two-fold anisotropy displays a peculiar twist by an angle of 60°characteristic of the Kagome geometry.Our results suggest an intriguing superconducting state emerging in the complex environment of Kagome lattice,which,at least,is partially driven by electron-electron correlation.
文摘The cleavage force F(z) needed to separate parallel atomic planes by a distance z is first discussed for simple s-p metals using density functional theory.For the s-p nearly free-electron metals the linearized Thomas-Fermi equation is solved self-consistently in the cases of (a) semi-infinite planes of jellium (i.e. smeared uniform positive ions) and (b) a semi-infinite cylinder of finite radius, cleaved by a plane perpendicular to its axis. In (a), the elastic region has the form F(z)=Az ∝ Zrs-11/2, where rs is the mean interelectronic distance in the jellium model. Size effects are then considered, with possible relevance to atomic force microscopy.Defect energies are treated, using both electron theory and pair force laws.
基金Supported by the Scientific Research Plan Projects of Heilongjiang Education Department under Grant No 135109311the National Natural Science Foundation of China under Grant Nos 11404180 and 11405092the Natural Science Foundation of Heilongjiang Province under Grant Nos A2015010 and B201420
文摘La2 VMnO6 is measured to be insulating and ferrimagnetic experimentally. In this study, by substituting V with Nb, La2NbMnO6 is investigated using the density functional theory. The calculated results indicate that La2 NbMnO6 is also ferrimagnetic and exhibits the half metallic properties due to the strong electron correlation of Mn. The valence states of Nb and Mn are assigned to be 4-4 and +2 in La2NbMn06, respectively, which are different from V3+/Mn3+ in La2 VMnO6.
文摘Nanometer-sized metal clusters were prepared inside single crystalline MgO films by vacuum co-deposition of metals and MgO. The atomic structure was studied by high-resolution electron microscopy (HREM) and nm-area electron diffraction. The size of the clusters is ranging from 1 nm to 3 nm without those larger than 5 nm, and most of them have definite epitaxial orientations with the MgO matrix films. The character of the composite films is very much useful for the studies of various kinds of physical properties with anisotroPy. The physical properties such as electric transport, magnetic, optical absorption, sintering and catalytic ones were thus measured on the same samples analyzed by HREM by using high sensitivity apparatus with interest of clarifying the retationship between the atomic structure and physical properties
文摘A novel molecular probe for identifying properties of supported transition metals and metal oxides catalysts was established.The catalytic mechanism of transition metals was proposed.
基金financially supported by the National Natural Science Foundation of China (No. 51475273)
文摘The Al_2O_3-(W,Ti)C composites with Ni and Mo additions varying from 0vol% to 12vol% were prepared via hot pressing sintering under 30 MPa. The microstructure was investigated via X-ray diffraction(XRD) and scanning electron microscopy(SEM) equipped with energy dispersive spectrometry(EDS). Mechanical properties such as flexural strength, fracture toughness, and Vickers hardness were also measured. Results show that the main phases A12O3 and(W,Ti)C were detected by XRD. Compound Mo Ni also existed in sintered nanocomposites. The fracture modes of the nanocomposites were both intergranular and transgranular fractures. The plastic deformation of metal particles and crack bridging were the main toughening mechanisms. The maximum flexural strength and fracture toughness were obtained for 9vol% and 12vol% additions of Ni and Mo, respectively. The hardness of the composites reduced gradually with increasing content of metals Ni and Mo.
基金Funded by the National Natural Science Foundation of China(Nos.11547186,11604091)the Natural Science Foundation of Hunan Province(No.2018JJ2019)the Research Foundation of Education Bureau of Hunan Province,China(No.16B048)
文摘The spontaneous magnetic transitions and corresponding magnetoelastic properties of intermetallic compounds RMn2Ge2(R=Gd, Tb and Dy) were investigated by using the X-ray diffraction method and magnetic measurement. The results showed that the compounds experience two magnetic transitions, namely the second-order paramagnetic to antiferromagnetic transition at temperature TN(TN=368, 423 and 443 K for Gd Mn2 Ge2, Tb Mn2 Ge2 and Dy Mn2 Ge2, respectively) and the first-order antiferromagnetic-ferrimagnetic transition at temperature Tt(Tt=96, 80 and 40 K for Gd Mn2 Ge2, Tb Mn2 Ge2 and Dy Mn2 Ge2, respectively) as the temperature decreases. The temperature dependence of the lattice constant a(T) displays a negative magnetoelastic anomaly at the second-order transition point TN and, at the first-order transition Tt, a increases abruptly for Gd Mn2 Ge2 and Tb Mn2 Ge2, Da/a about 10^(-3). Nevertheless, the lattice constant c almost does not change at these transition points indicating that such magnetoelastic anomalies are mainly contributed by the Mn-sublattice. The transitions of the magnetoelastic properties are also evidenced on the temperature dependence of magnetic susceptibility χ. The first-order transition behavior at Tt is explained by the Kittel mode of exchange inversion.
文摘The coordination-dependent force fleld of TersofF for covalently bonded Si has been used tocalculate the cleavage force as a function of interplanar separation and hence to estimate surfaceenergies. This force field is already fitted to density functional results. The relation to bond-breaking and electron correlation will be emphasized. Finnis-Sinclair-type many-body potentialshave then been used to treat some d-electron metals. In particular, results for cleavage forcein bcc Fe will be presented, and also some calculations as two perfectly planar Fe surfaces arerubbed together' at different interplanar separations. Finally, lattice dynamical models for thesteady-state propagation of a screw dislocation, and then of a crack, will be used, again within abond-breaking type of force field. For the screw dislocation propagation. a solitary wave equationis shown to follow in the 'almost continuum' limit. Energy radiated by phonons as the dislocationmoves can thereby be calculated.
基金Supported by the Science and Technology on Combustion and Explosion Laboratory Foundation(9140C350319140C35161)
文摘Metal particles such as aluminum( Al),magnesium( Mg),boron( B) and nickel( Ni),as well as Mg/Al alloy( Mg/Al = 3/4) are currently the most widely used ingredients in modified doublebase propellants. In this contribution,the combustion properties of the metal species are studied by means of the high-speed photography technique and the non-contact wavelet-based measurement of flame temperature distribution. The combustion process of the Al,Mg and Mg/Al samples shows both gas phase reaction and surface oxidation,which yield volatile and nonvolatile products,corresponding to the oxide and suboxide respectively. However,the combustion of B and Ni shows only gas phase reaction,due to their high melting point as well as high enthalpy of vaporization. In addition to the experiments,a hypothetical combustion model has been proposed to clarify the combustion characteristics of metal species in modified double-base propellants.
文摘Aromatic bond including metallic atom (Ni) is investigated by EHMO calculation.The NMR spectra and the mechanism for hydrolysis are discussed on the ground of results of computation.
文摘Researchers at the U.S.Department of Energy's Ames Laboratory are working towards mastering graphene's assembly in combination with other materials—a tricky,delicate process performed in ultra-high vacuum environments at the atomic scale.Recently,they published a paper where they reveal that they have conquered a new milestone in
基金Project supported by the Ministry of Science and Higher Education of Poland(Nos.04/43/DSPB/0085and 02/21/DSPB/3464)
文摘The paper is devoted to mathematical modelling of static and dynamic stability of a simply supported three-layered beam with a metal foam core. Mechanical properties of the core vary along the vertical direction. The field of displacements is for- mulated using the classical broken line hypothesis and the proposed nonlinear hypothesis that generalizes the classical one. Using both hypotheses, the strains are determined as well as the stresses of each layer. The kinetic energy, the elastic strain energy, and the work of load are also determined. The system of equations of motion is derived using Hamilton's principle. Finally, the system of three equations is reduced to one equation of motion, in particular, the Mathieu equation. The Bubnov-Galerkin method is used to solve the system of equations of motion, and the Runge-Kutta method is used to solve the second-order differential equation. Numerical calculations are done for the chosen family of beams. The critical loads, unstable regions, angular frequencies of the beam, and the static and dynamic equilibrium paths are calculated analytically and verified numerically. The results of this study are presented in the forms of figures and tables.
文摘Butt joints between Mg alloy AZ31 B and pure Al 1 060 sheets were produced via metal inert gas welding process with Zn-Cd alloy foil. Crack-free Al/Mg butt joints between AZ31 B Mg alloy and pure Al 1060 sheets were obtained. Intermetallic compound layer 1 and layer 2 had formed in fusion zone/Mg alloy and the average thickness of the layer 1 was about 50 μm. The intermetallic compound layer 1 consisted of Al12Mg17 and Mg2Si phases while layer 2 consisted of Al12Mg17, Mg2Si and Mg Zn2 phases. The crack started from the IMC layer at the bottom of the joint and propagated along the brittle IMC layer, then expanded into weld metal during the SEM in situ tensile test. The highest tensile strength of the dissimilar metal butt joints could reach 46.8 MPa and the effect ofinterfacial IMC layer on mechanical property of the joint was discussed in detail in the present study.
基金the financial assistance received from the Department of Science and Technology(Government of India)for conducting this investigation(Project-SR/FTP/PS-054/2011(G))
文摘The mechanical, electrical, and thermal expansion properties of carbon nanotube(CNT)-based silver and silver–palladium(10:1, w/w) alloy nanocomposites are reported. To tailor the properties of silver, CNTs were incorporated into a silver matrix by a modified molecular level-mixing process. CNTs interact weakly with silver because of their non-reactive nature and lack of mutual solubility. Therefore, palladium was utilized as an alloying element to improve interfacial adhesion. Comparative microstructural characterizations and property evaluations of the nanocomposites were performed. The structural characterizations revealed that decorated type-CNTs were dispersed, embedded, and anchored into the silver matrix. The experimental results indicated that the modification of the silver and silver–palladium nanocomposite with CNT resulted in increases in the hardness and Young's modulus along with concomitant decreases in the electrical conductivity and the coefficient of thermal expansion(CTE). The hardness and Young's modulus of the nanocomposites were increased by 30%?40% whereas the CTE was decreased to 50%-60% of the CTE of silver. The significantly improved CTE and the mechanical properties of the CNT-reinforced silver and silver–palladium nanocomposites are correlated with the intriguing properties of CNTs and with good interfacial adhesion between the CNTs and silver as a result of the fabrication process and the contact action of palladium as an alloying element.
基金supported by the Defence Research and Development Organization, New Delhi (No.ARMREB/CDSW/2011/135)
文摘In the present study,the chemical and mechanical properties and the thermal expansion of a carbon nanotube(CNT)-based crystalline nano-aluminum(nano Al) composite were reported.The properties of nanocomposites were tailored by incorporating CNTs into the nano Al matrix using a physical mixing method.The elastic moduli and the coefficient of thermal expansion(CTE) of the nanocomposites were also estimated to understand the effects of CNT reinforcement in the Al matrix.Microstructural characterization of the nanocomposite reveals that the CNTs are dispersed and embedded in the Al matrix.The experimental results indicate that the incorporation of CNTs into the nano Al matrix results in the increase in hardness and elastic modulus along with a concomitant decrease in the coefficient of thermal expansion The hardness and elastic modulus of the nanocomposite increase by 21%and 20%,respectively,upon CNT addition.The CTE of CNT/A1 nanocomposite decreases to 70%compared with that of nano Al.
基金financially supported by the National Natural Science Foundation of China (No. 51271018)the Proprietary Program of the State Key Laboratory for Advanced Metals and Materials,University of Science and Technology Beijing (Nos.2011Z-01 and 2012Z-01)
文摘Four Zr–Cu–Fe–Al-based bulk metallic glasses(BMGs) with Zr contents greater than 65at% and minor additions of Nb were designed and prepared. The glass forming abilities, thermal stabilities, mechanical properties, and corrosion resistance properties of the prepared BMGs were investigated. These BMGs exhibit moderate glass forming abilities along with superior fracture and yield strengths compared to previously reported Zr–Cu–Fe–Al BMGs. Specifically, the addition of Nb into this quaternary system remarkably increases the plastic strain to 27.5%, which is related to the high Poisson's ratio and low Young's and shear moduli. The Nb-bearing BMGs also exhibit a lower corrosion current density by about one order of magnitude and a wider passive region than 316 L steel in phosphate buffer solution(PBS, pH 7.4). The combination of the optimized composition with high deformation ability, low Young's modulus, and excellent corrosion resistance properties indicates that this kind of BMG is promising for biomedical applications.
基金financially supported by the National Natural Science Foundation of China (No. 51575132)
文摘In the present study, pure iron/copper composite metal cladding was deposited onto carbon steel by tungsten inert gas welding. The study focused on interfacial morphological, microstructural, and mechanical analyses of the composite cladding layers. Iron liquid–solid-phase zones were formed at copper/steel and iron interfaces because of the melting of the steel substrate and iron. Iron concentrated in the copper cladding layer was observed to exhibit belt, globule, and dendrite morphologies. The appearance of iron-rich globules indicated the occurrence of liquid phase separation(LPS) prior to solidification, and iron-rich dendrites crystallized without the occurrence of LPS. The maximum microhardness of the iron/steel interface was lower than that of the copper/steel interface because of the diffusion of elemental carbon. All samples fractured in the cladding layers. Because of a relatively lower strength of the copper layer, a short plateau region appeared when shear movement was from copper to iron.
基金Funded by the National Natural Science Foundation of China(Nos.51101133,51101134)the Encouraging Foundation for Outstanding Youth Scientists of Shandong Province,China(No.BS2012CL036)the Natural Science Foundation of Shandong Province,China(No.ZR2011EL025)
文摘Glass-forming ability(GFA) and mechanical properties of(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(100-x)Lu_x(x= 0-3 at%) alloys have been investigated.The GFA of Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy is dramatically enhanced by adding Lu.The(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(98)Lu_2 alloy possesses the highest GFA in the studied Zr-Nb-Cu-Ni-Al-Lu alloys,with its critical diameter for glass formation reaching 20 mm by copper-mould casting method,while that of the Lu-free Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy is 7 mm.The critical diameters of(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(100-x)Lu_x(x =1 at%and 3 at%) alloys are 15 mm and 12 mm,respectively.The Lu addition to Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy induces the change of initial crystallization phases from face-centred-cubic Zr_2Ni and tetragonal Zr_2Ni phases for the Lu-free Zr_(58)Nb_3Cu_(16)Ni_(13)Al_(10) alloy to an icosahedral quasi-crystalline phase for the Lu-doped alloys,which may be the origin for the enhanced GFA of the Lu-doped alloys.The compressive fracture strength and plastic strain of the bulk glassy(Zr_(0.58)Nb_(0.03)Cu_(0.16)Ni_(0.13)Al_(0.10))_(98)Lu_2 alloy are1 610 MPa and 1.5%,respectively.