Study of the solubility of Pb,Bi and Sn in aluminum by mixed CALPHAD/DFT methods: Applicability to aluminum machining alloys

The aim of this work is a formulation of a thermodynamic model for the development of new aluminum machining alloys. The three additives Bi, Pb and Sn have proven to help machining. Hence, a review of the literature showed that the liquid phase equilibria and thermodynamic data for the three binary systems Al-Bi, Al-Pb and Al-Sn is very thorough but the limited information for the FCC solution required the use of Density Functional Theory (DFT) to predict thermodynamic data. The partial heat of mixing of these three machining additives in Al(FCC) are obtained and the results helped to improve the thermodynamic model using the CALPHAD method. It was shown that for all three binary systems, the thermodynamic data obtained at three fixed compositions and that obtained for a very dilute solution gave different enthalpy curves. The thermodynamic model was used to compute the ternary systems Al-Bi-Pb, Al-Bi-Sn and Al-Pb-Sn and small adjustable parameters were added to reproduce the literature data.     

High enhanced magnetization in carbon-doped Mn3Ga thin films

Carbon-doped Mn₃Ga thin films were grown on Si/SiO₂ substrates using rf magnetron sputtering technique. The tetragonal D0₂₂–type crystalline structure of ferrimagnetic Mn₃Ga is preserved on the Mn₃GaC_x films upon carbon concentrations up to x = 0.5, whereas higher concentrations lead to the formation of the antiperovskite Mn₃GaC phase. Geometry optimization calculations using the density functional theory were performed on a 2 × 2 × 2 Mn₃GaC_0.25 supercell with C in different positions in order to find that the most stable position for the C is interstitial octahedral site. Magnetic M(H) loops show that saturation magnetization M_s of Mn₃GaC_0.25 is enhanced to 200 kAm⁻¹ (from M_s = 90 kAm⁻¹ for undoped films). The increase of the C concentration leads to a reduction of the Curie temperature from 770 K to ∼420 K at the same time that the lattice cell suffers an expansion. The enhancement of M_s is explained in terms of a 90° ferromagnetic superexchange Mn-C-Mn interaction.     

固着磨料高速研磨工件表面硬化规律的研究

为研究固着磨料高速研磨工件表面硬度的变化规律,对加工零件的硬化现象与研磨工艺参数之间的关系进行了研究。结果表明,磨料粒度的增加,并未引起工件表面硬化程度的明显变化;随着研磨压力和速度的增加,工件表面硬化程度变大。分析认为,研磨后工件表面发生位错增殖,从而导致位错密度增加;同时由于位错运动导致的位错交割,是导致工件表面硬化的主要原因。该工艺具有节约磨料、环境污染小、加工工艺简单、加工质量好、加工效率高等优点。     

密度估计函数的收敛速度及重对数率

设ｆＦ为（－∞，∞）上的一族概率密度，ｘ１，ｘ２，…，ｘｎ为取自ｆ的样本。记Ｊｎｉ＝（（ｉ－１）ｈｎ，ｉｈｎ），ｈｎ∞（ｎ→∞），又记Ｒｉ＝＃｛ｔ：ｔ＝１，２，…，ｎ｝，当ｘＪｎｉ时，讨论了ｆ（ｘ）的密度估计函数。并且在Ｌｉｐｓｈｉｔｚ条件下研究了密度估计函数ｆｎ（ｘ）的渐近正态性，最佳可能收敛速度和一致收敛的重对数率。当０＜α＜１，β＜１－α２时，ｆｎ（ｘ）－ｆ（ｘ）＝Ｏ（ｌｎｎｎ－β）ａ．ｓ．；当－１４＜α＜１２时，ｓｕｐｘ｜ｆｎ（ｘ）－ｆ（ｘ）｜＝Ｏ（ｎα－１２ｌｎｌｎｎ）ａ．ｓ等．     

InSb(110)弛豫表面电子态的计算

利用形式散射理论方法，采用最近邻的紧束缚模型计算了ＩｎＳｂ（１１０）弛豫表面的电子结构，给出了总体、局域、分波态密度和表面投影能带。通过分析其表面态的变化指出了表面发生弛豫的原因主要是阴阳离子的ｐ态电子的相互作用加强所产生的。     

On the determination of the thermal shock parameter of MAX phases: A combined experimental-computational study

Thermal shock resistance is one of the performance-defining properties for applications where extreme temperature gradients are required. The thermal shock resistance of a material can be described by means of the thermal shock parameter R_T. Here, the thermo-mechanical properties required for the calculation of R_T are quantum-mechanically predicted, experimentally determined, and compared for Ti₃AlC₂ and Cr₂AlC MAX phases. The coatings are synthesized utilizing direct current magnetron sputtering without additional heating, followed by vacuum annealing. It is shown that the R_T of both Ti₃AlC₂ and Cr₂AlC obtained via simulations are in good agreement with the experimentally obtained ones. Comparing the MAX phase coatings, both experiments and simulations indicate superior thermal shock behavior of Ti₃AlC₂ compared to Cr₂AlC, attributed primarily to the larger linear coefficient of thermal expansion of Cr₂AlC. The results presented herein underline the potential of ab initio calculations for predicting the thermal shock behavior of ionically-covalently bonded materials.     

The Impacts of Heat Treatment on Lap Joint Shear Strength of Black Pine Wood

This study was conducted to determine the impacts of heat treatment on lap shear strength, density, and mass loss of black pine wood. In the study, black pine wood boards bonded with polyurethane were subjected to temperatures of 160, 180, and 200°C for durations of 2 and 6 hours. Specimens having two layers were prepared from untreated and treated wood for mechanical testing of bond lines. Data were analyzed using variance analysis and Tukey's test to determine the impacts of changes in density and mass of heat-treated black pine wood on lap shear strength. The results indicated that the lap shear strength of black pine wood decreased as the intensity of heat treatment increased. The results also indicated that the minimum and maximum percentage decreases of lap shear strength were approximately 27% for 160°C and 2 hours and 78% for 200°C and 6 hours.     

sequential estimation of the hgarginal density function for a strongly mixing process

Suppose that {X_n} is a strongly mixing process with unknow marginal density f(x) and that we estimate f(x) by a kernel estimator [fcirc]_n(x|h_n)and want to achive the MISE no larger than some preassigned postive number w. However,the appropriate sample size n^*depends on a functional of the unknow density function. Therefore some sequential procedure is required and we adopt a fully sequential procedure. In this paper we investigate the asymptotic properties of the procedure and show that the producure is asymptotically efficient in a certain sense as w→0. The results are almost the same in the i.i.d. setting. our result extend a class of models to which the methodology can be applied. For example economic variable,experiments on a single subject in which obervation are not indepent, and so on.     

Starch,Sucrose, and Rezol® IL800 as Density Modifiers for Polyurethane Rigid Foams Formulated by Recycled Polyol

Waste polyurethane rigid foam (PUF) is recycled by the glycolysis process. The recycled product is used in a polyol blend, applied in a new foam formulation. Polyurethane rigid foams formulated by recycled polyols are highly dense compared to rigid foams formulated by virgin polyols. As these foams are mostly used in insulation, they make an extra mass to the main product or system that is insulated. Therefore, it is important to decrease their density as much as possible.

Some density modifiers such as starch, sucrose, and REZOL^® IL800 were investigated to recognize their effect on PUF's density.     

Crystallinity Degree of Polyethylene Tubular Blown Films Evaluated by X-ray Diffraction and Density Methods: An Evaluation of the Interfacial Contribution

An experimental study is reported of the relationship between the degree of crystallinity of polyethylene tubular blown films obtained from x-ray diffraction and from density. The comparison shows that there are significant differences between the two techniques, and the values for percentage of crystallinity as determined by the density method are higher than those determined by the x-ray diffraction method. The main reason for these differences is the inclusion of the interfacial contribution to the measured density. The possible application of the analysis of the equation obtained for density crystallinity versus x-ray crystallinity in the evaluation of amorphous and crystalline domains in the interfacial region is discussed.