Viscosities and their correlations with structures of Cu–Ag melts

The viscosities of a series of Cu–Ag melts in a temperature range from 1473 K to nearly liquid temperatures are measured by using an oscillating viscometer. At the same temperature, the value of viscosity increases first with silver content increasing, and reaches a maximum value at the eutectic component Cu40Ag60, then decreases. All the temperature dependences of the viscosities of Cu–Ag melts conform with the Arrhenius equation. The parameters of correlation length D of the studied Cu–Ag melts are calculated according to the experimental results of x-ray diffraction. The temperature dependence of correlation length D shows an exponential decay function, which is similar to the Arrhenius equation. Based on the values of viscosities and correlation length D, a direct correlation between viscosity and liquid structure is found for the investigated Cu–Ag melts through comparative analysis.     

Short-Range and Medium-Range Order in Liquid Cu-Ni Alloy

The liquid structure of the Cu70Ni30 alloy has been investigated using a θ-θ high-temperature x-ray diffractometer.At all temperatures above its liquidus,a distinct pre-peak has been found around a scattering vector magnitude of 13.5nm^-1.The height of the pre-peak decreases gradually with increasing temperature but it clearly exists up to a temperature of 1400℃.This behaviour indicates that stable medium-range order atomic clusters exist in the melt.It is concluded that the short-range order atomic clusters of the liquid Cu70Ni30 alloy mainly consist of Cu atoms with centred Ni atoms.The appearance of the pre-peak in the structure factor of the liquid Cu70Ni30 alloy is caused by the interaction between centred Ni atoms locating in the neighbouring atomic clusters.     

Cluster Evolution in undercooled Melt and Solidification of Undercooled Ge—based Alloy Melts Induced by Extrinsic Clusters

The structure or short-range order of clusters in undercooled metallic melts is influenced,to some extent,by the interfacial free energy between the cluster and the melt.Analyses of the effects of interfacial energy on the cluster structure based on the Gibbs equation show a possibility that atoms in the clusters tend to be packed more loosely with the increasing cluster size(or the undercooling),Nucleation may occur,following these analyses,when clusters reach a definite size and atoms in the clusters relax to some extent to form the crystal structure.Indirect support to this viewpoint is provided by the present results of cluster-induced nucleation experiments on undercooled Ge3.7Ni26.3 alloy melts.     

The response of temperature and hydrostatic pressure of zinc-blende GaxIn1-xAs semiconducting alloys

<正>The electronic band structure of Ga_xIn_1-xAs alloy is calculated by using the local empirical pseudo-potential method including the effective disorder potential in the virtual crystal approximation.The compositional effect of the electronic energy band structure of this alloy is studied with composition x ranging from 0 to 1.Various physical quantities such as band gaps,bowing parameters,refractive indices,and high frequency dielectric constants of the considered alloys with different Ga concentrations are calculated.The effects of both temperature and hydrostatic pressure on the calculated quantities are studied.The obtained results are found to be in good agreement with the available experimental and published data.     

Rapid solidification and dendrite growth of ternary Fe-Sn-Ge and Cu-Pb-Ge monotectic alloys

The phase separation and dendrite growth characteristics of ternary Fe-43.9%Sn- 10%Ge and Cu-35.5%Pb-5%Ge monotectic alloys were studied systematically by the glass fluxing method under substantial undercooling conditions. The maximum undercoolings obtained in this work are 245 and 257 K, respectively, for these two alloys. All of the solidified samples exhibit serious macrosegregation, indicating that the homogenous alloy melt is separated into two liquid phases prior to rapid solidification. The solidification structures consist of four phases including α-Fe, (Sn), FeSn and FeSn2 in Fe-43.9%Sn-10%Ge ternary alloy, whereas only (Cu) and (Pb) solid solution phases in Cu-35.5%Pb-5%Ge alloy under different undercoolings. In the process of rapid monotectic solidification, α-Fe and (Cu) phases grow in a dendritic mode, and the transition "dendrite→monotectic cell" happens when alloy undercoolings become sufficiently large. The dendrite growth velocities of α-Fe and (Cu) phases are found to increase with undercooling according to an exponential relation.     

Ab Initio Molecular Dynamics Simulations on Structural Properties of Liquid In20Sn80

Ab initio molecular dynamics simulations on liquid ln2oSnso alloy are carried out at six different temperatures from 798 K to 1193 K. The temperature dependences of binding energy, volume, pair-correlation function and structure factor are studied. The first-peak position of our calculated pair correlation function is in agreement with the experimental data. A shoulder is reproduced in the high wave number side of the first peak in our calculated structure factor, implying the existence of the residual directional bonds of Sn atoms in liquid In20Sn80 alloy. The first-peak height of our calculated structure factor and the coordination number of Sn atom decrease more sharply in the low-temperature region from 798 K to 986 K than that in the high-temperature region from 986 K to 1193K, suggesting that a discontinuous structural change may occur at around 986K in liquid In20Sn80 alloy.     

A hybrid functional first-principles study on the band structure of non-strained Ge_(1-x)Sn_x alloys

Using hybrid-functional first-principles calculation combined with the supercell method and band unfolding technique we investigate the band structure of non-strained Ge_(1-x)Sn_x alloys with various Sn concentrations. The calculations show that at the Sn concentration of ～ 3.1 mol% the Ge Sn alloy presents a direct band gap. The variation of the band structure are ascribed to the weaker electro-negativity of Sn atoms and a slight charge transfer from Sn atoms to Ge atoms.     

Experimental Studies of Liquid Viscosity in Immiscible Al—In Alloys

The liquid viscosity o[ immiscible Al-In alloys was measured using an oscillating-cup viscometer. It has been found that the viscosity of Al-In melts changes abruptly at the critical temperature of liquid-liquid phase separation during the cooling process. The experimental data above the temperature of phase separation are fitted to the Arrhenius equation. The fitted results show that the temperature dependence o[the viscosity obeys the Arrhenius relationship.     

Simulated evolution process of core-shell microstructures

The evolution process of core-shell microstructures formed in monotectic alloys under the space environment condition was investigated by the numerical simulation method. In order to account for the effect of surface segregation on phase separation, Model H was modified by introducing a surface free energy term into the total free energy of alloy droplet. Three Fe-Cu alloys were taken as simulated examples, which usually exhibit metastable phase separation in undercooled and microgravity states. It was revealed by the dynamic simulation process that the formation of core-shell microstructures depends mainly on surface segregation and Marangoni convection. The phase separation of Fe65Cu35 alloy starts from a dispersed structure and gradually evolves into a triple-layer core-shell microstructure. Similarly, Fe50Cu50 alloy experiences a structural evolution process of "bicontinuous phase → quadruple-layer core-shell → triple-layer core-shell", while the microstructures of Fe35Cu65 alloy transfer from the dispersed structure into the final double-layer core-shell morphology. The Cu-rich phase always forms the outer layer because of surface segregation, whereas the internal microstructural evolution is controlled mainly by the Marangoni convection resulting from the temperature gradient.     

铝、铜、镍三元合金系中τ相的晶体结构变迁

A thorough investigation by means of X-rays has been carried out with the purpose to determine the nature of the ternary phase τ in Al-Cu-Ni alloys. In contrast with the conventional concept of alloy phase which is characterized by a definite type of crystal structure, systematic structure changes are found in the single phase field of τ which occupies quite an extensive area in the isothermal section of the phase diagram at room temperature. There are eight types of structures altogether, all derived from a basic rhombohedron with corners occupied by Al atoms and centres either occupied by the heavy atoms or remaining vacant. The basic rhombohedron is the building stone in the crystal architecture. By transforming the basic rhombohedron into a hexagonal prism in the usual way, all structures may be considered to be built up by stacking together a number of these hexagonal prisms along the triad. The transformation of one structure into another is quite systematic in the way that the number of the stacking stories in the unit cell increases according to the order 10, 11, 12, 13, 14, 15, 16, 17. The atomic arrangements in the different structures are closely related too, in the respect that they are all superstructures due to the presence of ordered vacancies in the rhombohedral centres.The principal factor controlling the formation of these structures has been fully considered. In view of the fact that the change of structure types follows closely with the content of Ni or Cu for alloys of constant Al content, the atomic size factor appears to be unimportant in the formation of these alloys. It has been shown that for alloy phases of the defect lattice type as the r-phase, the most fundamental factor is the average number of valency electrons per structural unit which is the basic rhombohedron in the present case. By assuming Hume-Rothery's valencies, the average number of valency electrons remains remarkably constant throughout the entire phase field, while the electron concentration varies with compositions. It has also been pointed out that for alloy phases where there is no unit cell change, the average number of electrons per structural unit is equivalent to the number of electrons per unit cell, and for alloy phase where there is no defect, this is in effect equivalent to the electron concentration.     

Low temperature magnetic and magnetostrictive properties in Pr(Fe_(1-x)Co_x)_(1.9) cubic Laves alloys

The structures,spin reorientations,magnetic,and magnetostrictive properties of the polycrystalline Pr(Fe_(1-x)Co_x)_(1.9)(x=0–1.0)cubic laves phase alloys between 5 K and 300 K are investigated.Large low-field magnetostrictions are observed at 5 K in the alloys with x=0.2 and 0.4 due to the low magnetic anisotropies of these two alloys.A large negative magnetostriction of about-1130 ppm is found in PrCo_(1.9) alloy at 5 K.The magnetizations of the alloys with 0≤x≤0.6decrease abnormally at the spin reorientation temperature T_(sr),and an abnormity is detected in the alloy with x=1.0 at its Curie temperature T_c(45 K).The substitution of Fe by Co increases the value of T_(sr) in the alloy with x value increasing from 0.0 to 0.4,and then reduces the value of Tsr with x value further increasing to 0.6.     

The relationship between viscosity and glass forming ability of Al-(Ni)-Yb alloy systems

The dynamic viscosity of Al-Yb and Al-Ni-Yb superheated melts was measured using a torsional oscillation viscometer. The results show that the temperature dependence of viscosity fits the Arrhenius law well and the fitting factors are calculated. The amorphous ribbons of these alloys were produced by the melt spinning technique and the thermal properties were characterized by using a differential scanning calorimetry (DSC). E (the activation energy for viscous flow), which reflects the change rate of viscosity, has a good negative relation with the GFA in both Al-Yb and Al-Ni-Yb systems. However, there is no direct relation between liquidus viscosity (ηL) and GFA. The superheated fragility M can predict GFA in Al-Yb or Al-Ni-Yb alloy system.     

Hg L3 edge absorption study of the HgBa2CuO4＋δsuperconductor

The HgBa2CuO4 δ superconductor has been studied by high resolution Hg L3 x-ray absorption near-edge structure(XANES)spectroscopy.The XANES spectrum has been simulated by full multiple-scattering calculations in order to xplore the origin of different features in the experimental spectrum.The experimental Hg L3-edge spectrum could be ewll reproduced by considering a cluster of 85 atoms,containing 10 shell,within a radius of about 7 A from the central Hg atom.The low energy spectral feature in the XANES spectrum is found to be due to aransition from the Hg p states to the electronic states hybridized with higher shell Ba atoms.This implies that the transition features in the Hg L3-edge XANES are strongly influenced by medium range order effects unlike the case of L3 edge of 3d transition metals where short-range order is enough to describe the main transition feansition featrues.     

Dynamic crossover in [VIO~(2+)][Tf_2N~-]_2 ionic liquid

Ionic liquids usually behave as fragile liquids,and the temperature dependence of their dynamic properties obeys supper-Arrhenius law.In this work,a dynamic crossover is observed in([VIO²⁺][Tf₂N-]₂) ionic liquid at the temperature of 240-800 K.The diffusion coefficient does not obey a single Arrhenius law or a Vogel-Fulcher-Tammann(VFT) relation,but can be well fitted by three Arrhenius laws or a combination of a VFT relation and an Arrhenius law.The origin of the dynamic crossover is analyzed from correlation,structure,and thermodynamics.Ion gets a stronger backward correlation at a lower temperature,as shown by the fractal dimension of the random walk.The temperature dependence function of fractal dimension,heterogeneity order parameter,and thermodynamic data can be separated into three regions similar to that observed in the diffusion coefficient.The two crossover temperatures observed in the three types of data are almost the same as that in diffusion coefficient fitted by three Arrhenius laws.The results indicate that the dynamic crossover of[VIO2+][Tf2 N-]2 is attributed to the heterogeneous structure when it undergoes cooling.     

Martensitic transformation and giant magnetic entropy change in Ni_(42.8)Mn_(40.3)Co_(5.7)Sn_(11.2) alloy

The crystal structure, phase transition, and magnetocaloric effect in Ni42.8Mn40.3Co5.7Sn11.2 alloy are investigated by structure analysis and magnetic measurements. A large magnetic entropy change of 45.6 J/kg.K is obtained at 215 K under a magnetic field of 30 kOe （1 Oe = 79.5775 A.m-1）. The effective refrigerant capacity of Ni42.8Mn40.3Co5.7Sn11.2 alloy reaches 72.1 J/kg under an applied field changing from 0 to 30 kOe. The external magnetic field shifts the martensitic transition temperature about 3-4 K/10 kOe towards low temperature, indicating that magnetic field can retard the phase transition to a certain extent. The origin of large magnetic entropy change is discussed in the paper.     

Pressure effects on magnetic properties and martensitic transformation of Ni–Mn–Sn magnetic shape memory alloys

The mechanism for the effects of pressure on the magnetic properties and the martensitic transformation of Ni-Mn- Sn shape memory alloys is revealed by first-principles calculations. It is found that the total energy difference between paramagnetic and ferromagnetic austenite states plays an important role in the magnetic transition of Ni-Mn-Sn under pressure. The pressure increases the relative stability of the martensite with respect to the anstenite, leading to an increase of the martensitic transformation temperature. Moreover, the effects of pressure on the magnetic properties and the martensitic transformation are discussed based on the electronic structure.     

Investigation of multicomponent chemical short-range order in NiZr2

The local atomic configuration of multicomponent chemical short-range order (MCSRO) in NiZr2 has been investigated by means of molecular dynamics simulation (MD) in a wide temperature range. The potential functions for the system based on the embedded atom method are constructed and the parameters are obtained by fitting the structure and properties of NiZr2 crystal. The static structures such as pair distribution functions and the distribution of coordination number have been calculated. The local atomic configurations of the MCSI~Os in the melt were demonstrated as distorted coordination polyhedron of the compound structure and/or the structure similar to cubooctahedron analogues. It is indicated by the results of MD simulation that above the melting point the atomic packing of long-range order disappears, but the chemical interaction of coordinated atoms still exists, which leads to the formation of various MCSROs with atomic configurations similar to the stable or metastable unit cell of NiZr2 compound. When the system is just melted, many icosahedral polyhedron configurations appear, which decrease as the over-heating temperature increases.     

The effect of Si content on the martensitic transformation temperature of Ni55.5Fe18Ga26.5-xSix alloys

This paper investigates the effects of substitution of Si for Ga on the martensitic transformation behaviours in Ni-Fe-Ga alloys by using optical metallographic microscope and differential scanning calorimetry (DSC) methods. The structure type of Ni55.5Fe18Ga26.5-xSix alloys is determined by x-ray diffraction (XRD),and the XRD patterns show the microstructure of Ni-Fe-Ga-Si alloys transformed from body-centred tetragonal martensite (with Si content x = 0) to body-centred cubic austenite (with x = 2) at room temperature. The martensitic transformation temperatures of the Ni55.5Fe18Ga26.5-xSix alloys decrease almost linearly with increasing Si content in the Si content range of x ≤ 3. Thermal treatment also plays an important role on martensitic transformation temperatures in the Ni-Fe-Ga-Si alloy. The valence electronic concentrations,size factor,L21 degree of order and strength of parent phase influence the martensitic transformation temperatures of the Ni-Fe-Ga-Si alloys. An understanding of the relationship between martensitic transformation temperatures and Si content will be significant for designing an appropriate Ni-Fe-Ga-Si alloy for a specific application at a given temperature.     

Structure and property of metal melt Ⅰ:The number of residual bonds after solid-liquid phase changes

Based on the mechanism of metal solid-liquid phase change and the theory of liquid metal's micro-inhomogeneity,a physical model is established between latent heats of fusion and vaporization and the numbers of residual bonds and short-range ordered atoms at the melting point inside a metal melt.Meanwhile,the mathematical derivation and proof are also offered.This model produces the numbers of residual bonds and short-range ordered atoms after the solid-liquid phase change only by using basic parameters and thermophysical properties of the crystal structure.Therefore,it presents a more effective way to analyze the melt's structural information.By using this model,this study calculates the numbers of residual bonds and short-range ordered atoms in Al and Ni melts.The calculated results are consistent with the experimental results.Simultaneously,this study discusses the atomic number's influence on the numbers of residual bonds and short-range ordered atoms in the melts within the first(ⅠA) and second main group(ⅡA) elements.     

Microstructural evolution during containerless rapid solidification of Co-Si alloys

The Co-12%Si hypoeutectic, Co-12.52%Si eutectic and Co-13%Si hypereutectic alloys are rapidly solidified in a containerless environment in a drop tube. Undercoolings up to 207K (0.14T_E) are obtained, which play a dominant role in dendritic and eutectic growth. The coupled zone around Co-12.52%Si eutectic alloy has been calculated, which covers a composition range from 11.6 to 12.7%Si. A microstructural transition from lamellar eutectic to divorced eutectic occurs to Co-12.52%Si eutectic droplets with increasing undercooling. The lamellar eutectic structure of the Co-12.52%Si alloy consists of εCo and Co_3Si phases at small undercooling. The Co_3Si phase cannot decompose completely into εCo and αCo_2Si phases. As undercooling becomes larger, the Co_3Si phase grows very rapidly from the highly undercooled alloy melt to form a divorced eutectic. The structural morphology of the Co-12%Si alloy droplets transforms from εCo primary phase plus lamellar eutectic to anomalous eutectic, whereas the microstructure of Co-13%Si alloy droplets experiences a `dendritic to equiaxed' structural transition. No matter how large the undercooling is, the εCo solid solution is the primary nucleation phase. In the highly undercooled alloy melts, the growth of εCo and Co_3Si phases is controlled by solutal diffusion.