Computer simulation for the precipitation process of Ni75Al7.5V17.5 alloy

The precipitation mechanism of Ni75Al7.5V17.5 alloy above the L12 instability line, between the L12 and D022 instability lines and below the D022 instability line are studied using microscopic phase-field kinetic equation. This paper is aimed at investigating the effect of temperature on precipitation mechanism and morphological evolution of the alloy. Our simulations demonstrate that the precipitation is a mixed mechanism of non-classical nucleation growth and spinodal decomposition above the L12 instability line. It needs certain thermal fluctuations for nucleation and the number of θ phases is small at this temperature. The precipitation mechanism of γ'phase is congruent ordering followed by spinodal decomposition, and θ phase is a mixed mechanism of non-classical nucleation growth and spinodal decomposition between the L12 and D022 instability lines. The mechanism below the D022 instability line is similar to that between the L12 and D022 instability lines. With the decrease of the temperature, ordering and phase separation becomes fast, the dimension of γ'phase becomes small, the shape transforms from equiaxed to block, the dimension of θ phase becomes large and the shape transforms from strip to circle.     

Refinement of primary Si grains in Al–20%Si alloy slurry through serpentine channel pouring process

In this study, a serpentine channel pouring process was used to prepare the semi-solid Al–20%Si alloy slurry and refine primary Si grains in the alloy. The effects of the pouring temperature, number of curves in the serpentine channel, and material of the serpentine channel on the size of primary Si grains in the semi-solid Al–20%Si alloy slurry were investigated. The results showed that the pouring temperature, number of the curves, and material of the channel strongly affected the size and distribution of the primary Si grains. The pouring temperature exerted the strongest effect, followed by the number of the curves and then the material of the channel. Under experimental conditions of a four-curve copper channel and a pouring temperature of 701℃, primary Si grains in the semi-solid Al–20%Si alloy slurry were refined to the greatest extent, and the lath-like grains were changed into granular grains. Moreover, the equivalent grain diameter and the average shape coefficient of primary Si grains in the satisfactory semi-solid Al–20%Si alloy slurry were 24.4 μm and 0.89, respectively. Finally, the refinement mechanism and distribution rule of primary Si grains in the slurry prepared through the serpentine channel pouring process were analyzed and discussed.     

Rapid cooling effect during solidification on macro-and micro-segregation of as-cast Mg–Gd alloy

The high performance of as-cast Mg-RE alloys is always related to their high RE additions.However,RE elements can be readily segregated in Mg alloys and the segregation becomes more significant with the increasing RE content.In this research,the effect of cooling rate on the macro-and micro-segregation in the as-cast Mg-8 Gd alloy was studied.The Gd content at the bottom of the fabricated ingot with the cooling rate of 4.6-6.9℃/s was～1.7 times of that at the top and coarse eutectics as well as s...     

Atomic-scale computer simulation for early precipitation process of Ni75Al10V15 alloy

The kinetic model for a ternary system is introduced based on the microscopic diffusion form of the phase-field equations for a binary alloy. The equation is solved in the reciprocal space. This model is used to investigate the early precipitation process of Ni75-Al10V15 by simulating the atomic pictures of the two ordered phases and calculating the order parameters of γ′(Ni3Al) phase. Simulation results show that the γ′ ordered phases precipitate from the disordered matrix by a non-classical nucleation mechanism, and the nonstoichiometric γ′ ordered phase appears first and then transforms into the stoichiometric one. Clusters of V atoms appear at the γ′ phase boundaries followed by the formation of the nonstoichiometric θ ordered phase. The farther the location from γ′ phase boundary is, the lower the order degree of θ phase is. There exist two kinds of DO22 ordered domains: a horizontal one and a vertical one, related to their adjacent γ′ phase boundaries. The model could describe the atomic ordering and composition clustering simultaneously, and any a priori assumption about the new phase structure and precipitation mechanism etc. is unnecessary.     

Microscopic phase-field simulation including elastic strain energy for early precipitation process of Ni-Al alloys with medium Al content

The early precipitation process of Ni-Al alloy was studied on the atomic scale based on the microscopic phase-field kinetic model. We investigated the effect of elastic strain energy on precipitation mechanism and morphological evolution of the alloy. Simulation results show that at the early stage of precipitation, γ′ ordered phase presents non-directional and irregular shape during the process of aging, the γ′ ordered phases change into the quadrate shape and their orientations become more obvious; at the later stage, the γ′ precipitates present quadrate shape with round corner and align along the [ 100 ] and [ 010 ] directions. The mechanism of early precipitation for Ni-13at. % Al alloy is the mixed mechanism of non-classical nucleation growth and spinodal decomposition and near to non-classical nucleation growth, and the mechanism of early precipitation for Ni-15.8at. % Al alloy is the mixed mechanism of non-classical nucleation growth and spinodal decomposition and near to spinodal decomposition.     

Effects of solidification parameters on microstructure and mechanical properties of continuous columnar-grained Cu–Al–Ni alloy

Effects of melt temperature and casting speed on microstructure and mechanical properties of Cu-14%Al-3.8%Ni(mass fraction) alloy wires fabricated by continuous unidirectional solidification technology were investigated.It was found that the average size of columnar grain in the alloy decreased and grain boundary turned clear and straight with increasing the casting speed at a given melt temperature.When the melt temperature was up to 1 280℃,theβ_1 phase gradually transformed into lozenged and lanciformγ...     

LBE–DEM simulation of inter-phase heat transfer in gas–solid cross jets

Lattice-Boltzmann equation(LBE)–Discrete element method(DEM)coupled simulation of a twodimensional gas–solid cross jet is performed,focusing on the gas-particle two-way coupling effect on heat transfer characteristics.The Reynolds number is 1000,and particle Stokes numbers are 10,25,and 50 under the same number flow rate of particles.The gas phase temperature field and particle distribution as well as the inter-phase heat transfer characteristics are studied and analyzed.The dominating effects,i.e.the mean temperature difference and mean heat transfer coefficient between the gas–solid phases,for the pre-and post-collision stages of the cross jets are illustrated respectively.The change of dominating roles is related to the dynamical response characteristics of particles.     

Saturation phenomenon of Ce and Ti in the modification of Al–Zn–Si filler metal

Cerium and titanium were added to an Al–42Zn–6.5Si brazing alloy, and the subsequent microstructures of the brazing alloy and the 6061 Al alloy brazing seam were investigated. The microstructures of filler metals and brazed joints were characterized by scanning electron microscopy and X-ray energy dispersion spectrometry. A new Ce–Ti phase formed around the silicon phase in the modified filler metal and this saturation phenomenon was analyzed. Interestingly, following brazing of the 6061 alloy, there is no evidence of the Ce–Ti phase in the brazing seam. Because of the mutual solubility of the brazing alloy and base metal, the quantity of the solvent increases, and the solute Ce and Ti atoms assume an undersaturated state.     

DSC analyses of static and dynamic precipitation of an Al–Mg–Si–Cu aluminum alloy

In the present investigation, both static and dynamic precipitations of an Al–Mg–Si–Cu aluminum alloy after solid-solution treatment(SST)were comparatively analyzed using differential scanning calorimetry(DSC). Dynamic aging was performed in the SST alloy through equal channel angular pressing(ECAP) at different temperatures of room temperature, 110, 170, 191 and 300 1C. For comparison, static artificial aging was conducted in the SST alloy at 191 1C with two aging times of 4 and 10 h. The DSC analyses reveal that the dynamic precipitation has occurred in the ECAPed samples, while the activation energies associated with the strengthening precipitates in the dynamic samples are considerably higher than the energies in the SST and static aged samples. The higher activation energies are probably attributed to the smaller grains and higher dislocation density developed after ECAP. The results in the present investigation allow the prediction of the type of the dynamic precipitates to influence the strength of the ultrafine grained alloy during ECAP at various temperatures.     

Effect of homogenization process on the hardness of Zn–Al–Cu alloys

The effect of a homogenizing treatment on the hardness of as-cast Zn–Al–Cu alloys was investigated. Eight alloy compositions were prepared and homogenized at 350 ℃ for 180 h, and their Rockwell “B” hardness was subsequently measured. All the specimens were analyzed by X-ray diffraction and metallographically prepared for observation by optical microscopy and scanning electron microscopy. The results of the present work indicated that the hardness of both alloys (as-cast and homogenized) increased with increasing Al and Cu contents; this increased hardness is likely related to the presence of the θ and τ' phases. A regression equation was obtained to determine the hardness of the homogenized alloys as a function of their chemical composition and processing parameters, such as homogenization time and temperature, used in their preparation.     

Effect of Zn addition on microstructure and mechanical properties of an Al–Mg–Si alloy

In the present work, an Al–0.66Mg–0.85Si–0.2Cu alloy with Zn addition was investigated by electron back scattering diffraction(EBSD), high resolution electron microscopy(HREM), tensile and Erichsen tests. The mechanical properties of the alloy after pre-aging met the standards of sheet forming. After paint baking, the yield strength of the alloy was improved apparently. GP(Ⅱ) zones and η’phases were formed during aging process due to Zn addition. With the precipitation of GP zones, β″ phases, GP(Ⅱ) zones and η’phases, the alloys displayed excellent mechanical properties.     

Effect of particle size distribution on the microstructure,texture, and mechanical properties of Al–Mg–Si–Cu alloy

The effect of particle size distribution on the microstructure, texture, and mechanical properties of Al–Mg–Si–Cu alloy was investigated on the basis of the mechanical properties, microstructure, and texture of the alloy. The results show that the particle size distribution influences the microstructure and the final mechanical properties but only slightly influences the recrystallization texture. After the pre-aging treatment and natural aging treatment (T4P treatment), in contrast to the sheet with a uniform particle size distribution, the sheet with a bimodal particle size distribution of large constituent particles and small dispersoids exhibits higher strength and a somewhat lower plastic strain ratio (r) and strain hardening exponent (n). After solution treatment, the sheet with a bimodal particle size distribution of large constituent particles and small dispersoids possesses a finer and slightly elongated grain structure compared with the sheet with a uniform particle size distribution. Additionally, they possess almost identical weak recrystallization textures, and their textures are dominated by CubeND {001}<310> and P {011}<122> orientations.     

Effect of particle size distribution on the microstructure,texture,and mechanical properties of Al–Mg–Si–Cu alloy

The effect of particle size distribution on the microstructure,texture,and mechanical properties of Al–Mg–Si–Cu alloy was investigated on the basis of the mechanical properties,microstructure,and texture of the alloy.The results show that the particle size distribution influences the microstructure and the final mechanical properties but only slightly influences the recrystallization texture.After the pre-aging treatment and natural aging treatment(T4 P treatment),in contrast to the sheet with a uniform particle size distribution,the sheet with a bimodal particle size distribution of large constituent particles and small dispersoids exhibits higher strength and a somewhat lower plastic strain ratio(r) and strain hardening exponent(n).After solution treatment,the sheet with a bimodal particle size distribution of large constituent particles and small dispersoids possesses a finer and slightly elongated grain structure compared with the sheet with a uniform particle size distribution.Additionally,they possess almost identical weak recrystallization textures,and their textures are dominated by CubeND {001}310 and P {011}122 orientations.     

Atomic-scale computer simulation for early precipitation process of Ni75AlxV25-x alloy with intermediate Al composition

The microscopic phase-field approach is applied to model the early precipitation process of Ni75AlxV25-x alloy. Without any prior assumptions, this model can be used to simulate the temporal evolution of arbitrary morphologies and microstructures on atomic scale. By simulating the atomic pictures, and calculating the order parameters and volume fraction of the θ (Ni3V) and γ'(Ni3Al) ordered phases, we study Ni75AlxV25-x alloys with Al composition of 0.05, 0. 053 and 0. 055 (atom fraction). Our calculated results show that,for these alloys, θ and γ' phases precipitate at the same time; with the increase of Al content, the amount of γ' phase increases and that of θ phase decreases; the precipitation characteristic of γ' phase transforms from Non-Classical Nucleation and Growth (NCNG) to Congruent Ordering Spinodal Decomposition (CO SD) gradually; otherwise, the precipitation characteristic of θ phase transforms from Congruent Ordering Spinodal Decomposition (CO SD) to Non-Classical Nucleation and Growth (NCNG) mechanism gradually. Both θ and γ' phases have undergone the transition process of mixture precipitation mechanism characterized by both NCNG and CO SD mechanisms. No incontinuous transition of precipitation mechanism has been found.     

Thermodynamic simulation of the effect of slag chemistry on the corrosion behavior of alumina–chromia refractory

The corrosion behavior of alumina–chromia refractory against two kinds of industrial slags (coal slag and iron smelting slag) at 1550°C was investigated via thermodynamic simulations. In the proposed simulation model, the initial slag first attacks the matrix and surface aggregates and subsequently attacks the inner aggregates. The simulation results indicate that the slag chemistry strongly affects the phase formation and corrosion behavior of the refractory brick. Greater amounts of alumina were dissolved and spinel solid phases formed when the brick interacted with iron smelting slag. These phenomena, as well as the calculated lower viscosity, may lead to much deeper penetration than that exhibited by coal slag and to more severe corrosion compared to that induced by coal slag. The thermodynamic calculations well match the experimental observations, demonstrating the efficiency of the proposed simulation model for evaluating the corrosion behavior of alumina–chromia refractory.     

Evaluation of the microstructure,secondary dendrite arm spacing,and mechanical properties of Al–Si alloy castings made in sand and Fe–Cr slag molds

The microstructure and mechanical properties of as-cast A356(Al–Si) alloy castings were investigated. A356 alloy was cast into three different molds composed of sand, ferrochrome(Fe–Cr) slag, and a mixture of sand and Fe–Cr. A sodium silicate–CO_2 process was used to make the necessary molds. Cylindrical-shaped castings were prepared. Cast products with no porosity and a good surface finish were achieved in all of the molds. These castings were evaluated for their metallography, secondary dendrite arm spacing(SDAS), and mechanical properties, including hardness, compression, tensile, and impact properties. Furthermore, the tensile and impact samples were analyzed by fractography. The results show that faster heat transfer in the Fe–Cr slag molds than in either the silica sand or mixed molds led to lower SDAS values with a refined microstructure in the products cast in Fe–Cr slag molds. Consistent and enhanced mechanical properties were observed in the slag mold products than in the castings obtained from either sand or mixed molds. The fracture surface of the slag mold castings shows a dimple fracture morphology with a transgranular fracture nature. However, the fracture surfaces of the sand mold castings display brittle fracture. In conclusion, products cast in Fe–Cr slag molds exhibit an improved surface finish and enhanced mechanical properties compared to those of products cast in sand and mixed molds.     

Acetone hydrogenation in exothermic reactor of an isopropanol–acetone–hydrogen chemical heat pump: effect of intra-particle mass and heat transfer

Intra-particle mass and heat transfer plays an important role in performance of the exothermic fixed-bed reactor for an isopropanol-acetone-hydrogen chemical heat pump. In this work, an exothermic fixed-bed reactor model, taking into account the actual packing structure, is established in the commercial software Fluent. A 120° segment of a tube with tube-to-particle diameter ratio （n） of 4, where realistic particles are packed and set to porous media, is used to simulate the 3D external flow, concen- tration and temperature fields in the exothermic packed-bed reactor. The influence of catalyst particle diameter （dp） and micropore diameter （do） on the intra-particle temperature, species distribution, reaction rate and selectivity is dis- cussed. The appropriate dp and do are obtained. Simulation results showed that intra-particle temperature gradient is not obvious. Large dp and small do lead to remarkable gradient of reaction rate inside the catalyst particle and the decrease in the catalyst efficiency and reduce the acetone conversion and the selectivity in isopropanol. The optimal results reveal that the spherical catalyst with dp of 1 mm and dpore of 10 nm is appropriate for high-temperature acetone hydrogenation.     

Unique cyclic deformation behavior of a heavily alloyed Al–Si piston alloy at different temperatures

The cyclic deformation behavior of a near-eutectic Al–Si piston alloy with a variety of alloying elements is investigated. Due to the distinctive microstructure, the alloy exhibited various cyclic deformation characteristics at different temperatures. Unique double-stage cyclic hardening occurred at room temperature, while the first hardening was mainly caused by the interaction between the dislocations and the finely dispersive precipitates, and the dislocation/dislocation interaction resulted in the second hardening. At elevated temperatures (200 1C and 350 1C), the alloy mainly presented cyclic softening because of the fact that the thermally activated dislocations could bypass or shear the obstructive precipitates.     

Hot deformation behavior of 51.1Zr–40.2Ti–4.5Al–4.2V alloy in the single β phase field

The hot deformation behavior of a newly developed 51.1Zr–40.2Ti–4.5Al–4.2 V alloy was investigated by compression tests in the deformation temperature range from 800 to 1050 ℃ and strain rate range from 10-3to 100 s-1. At low temperatures and high strain rates, the flow curves exhibited a pronounced stress drop at the very beginning of deformation, followed by a slow decrease in flow stress with increasing strain. The magnitude of the stress drop increased with decreasing deformation temperature and increasing strain rate. At high temperatures and low strain rates, the flow curves exhibited typical characteristics of dynamic recrystallization. A hyperbolic-sine Arrhenius-type equation was used to characterize the dependences of the flow stress on deformation temperature and strain rate. The activation energy for hot deformation decreased slightly with increasing strain and then tended to be a constant value. A microstructural mechanism map was presented to help visualize the microstructure of this alloy under different deformation conditions.