Synergistic effect of co-alloying elements on site preferences and elastic properties of Ni3Al: A first-principles study

The site preferences of co-alloying elements (Mo–Ta, Mo–Re, Mo–Cr) in Ni₃Al are studied using first-principles calculations, and the effects of these alloying elements on the elastic properties of Ni₃Al are evaluated by elastic property calculations. The results show that the Mo–Ta, Mo–Re and Mo–Cr atom pairs all prefer Al–Al sites and the spatial neighbor relation of substitution sites almost has no influence on the site preference results. Furthermore, the Young's modulus of Ni₃Al increases much higher by substituting Al–Al sites with co-alloying atoms, among which Mo–Re has the best strengthening effect. The enhanced chemical bondings between alloying atoms and their neighbor host atoms are considered to be the main strengthening mechanism of the alloying elements in Ni₃Al.     

Material design and development: From classical thermodynamics to CALPHAD and ICME approaches

This paper presents an overview and examples of material design and development using (1) classical thermodynamics; (2) CALPHAD (calculation of phase diagrams) modeling; and (3) Integrated Computational Materials Engineering (ICME) approaches. Although the examples are given in lightweight aluminum and magnesium alloys for structural applications, the fundamental methodology and modeling principles are applicable to all materials and engineering applications. The examples in this paper have demonstrated the effectiveness and limitations of classical thermodynamics in solving specific problems (such as nucleation during solidification and solid-state precipitation in aluminum alloys). Computational thermodynamics and CALPHAD modeling, when combined with critical experimental validation, have been used to guide the selection and design of new magnesium alloys for elevated-temperature applications. The future of material design and development will be based on a holistic ICME approach. However, key challenges exist in many aspects of ICME framework, such as the lack of diffusion/mobility databases for many materials systems, limitation of current microstructural modeling capability and integration tools for simulation codes of different length scales.     

Alloy optimisation of bainitic steel for large plastic mould

Based on the phase transformation theories, especially the T₀ concept of bainite transformation, alloy optimisation of bainitic steel with carbides has been carried out aiming at the produce of plastic mould with large cross-section. The effect of manganese and silicon on proeutectoid ferrite and bainite transformation is explored by dilatometric analysis, XRD and different microscopy techniques. The results show that after the alloy optimisation, the transformation of proeutectoid ferrite is suppressed and when the cooling rate is lower than 0·1°C?s^??1, the new lower bainite transformation appears by decreasing carbon capacity of austenite and promoting carbide precipitation. Industrial production proves that the optimised alloy SDP1 can meet the demand for the plastic mould with the thickness of 1050?mm.     

提高焊膏印刷质量的工艺改进

焊膏印刷作为SMT工艺的第一步，其质量好坏对SMT工艺有着重要影响。文章通过对焊膏成分、特性的分析，讨论了印刷中各种工艺参数的正确选择；对焊膏印刷中容易出现的质量问题进行了详细分析，指出了产生问题的原因，提出了改进措施。     

洼60-H26水平井套铣打捞技术

洼60-H26井是一口中曲率水平井,设计井深1 922 m,由于地面条件的限制,设计采用三维井眼轨道。该井水平段在钻至井深1 801 m时,发生卡钻事故。在卡钻事故处理过程中,采用测卡、爆炸松扣技术取出上部钻具后,应用了不同规格的套铣管对被卡钻具进行套铣,采用间歇式套铣方式实现了大斜度井段(45°-90°)的安全套铣,采用短套铣管完成了时水平井段内φ215．0 mm稳定器的套铣,采用φ228．6 mm套铣管成功套铣水平井段被卡LWD仪器,最后通过震击器震击成功解卡。详细介绍了洼60-H26水平井卡钻事故的处理过程,分析了在水平段处理卡钻事故的难点。该井处理卡钻事故的经验,对以后水平井施工中处理井下事故、打捞贵重仪器具有借鉴价值。     

β21s高强度钛合金的铣削试验研究

针对一种新型的难加工钛合金材料β21s,进行了刀具磨损试验和铣削力的测量试验,对材料的切削加工性进行评价,并且给出优选结果,为实际生产提供参考。     

Non-deterministic exponential time has two-prover interactive protocols

We determine the exact power of two-prover interactive proof systems introduced by Ben-Or, Goldwasser, Kilian, and Wigderson (1988). In this system, two all-powerful noncommunicating provers convince a randomizing polynomial time verifier in polynomial time that the inputx belongs to the languageL. We show that the class of languages having tow-prover interactive proof systems is nondeterministic exponential time.We also show that to prove membership in languages inEXP, the honest provers need the power ofEXP only.The first part of the proof of the main result extends recent techniques of polynomial extrapolation used in the single prover case by Lund, Fortnow, Karloff, Nisan, and Shamir.The second part is averification scheme for multilinearity of a function in several variables held by an oracle and can be viewed as an independent result onprogram verification. Its proof rests on combinatorial techniques employing a simple isoperimetric inequality for certain graphs:     

A new way for constructing high accuracy shock-capturing generalized compact difference schemes

The generalized compact (GC) schemes and some of their important properties are presented. And a new way for constructing high order accuracy and high-resolution GC schemes is presented. The schemes constructed by using this way could satisfy some principles and demands prescribed in advance to ensure some desired properties to the schemes, such as the principle about suppression of the oscillations, the principle of stability, the order of accuracy and number of scheme points, etc. As two examples, a three-point third-order compact scheme and a three-point fifth-order GC scheme satisfying the principle about suppression of the oscillations and the principle of stability are described in this paper. Numerical results show that these schemes are shock-capturing. The time-dependent boundary conditions proposed by Thompson are well employed when the algorithm is applied to the Euler equations of gas dynamics. Fourier analysis shows that the resolution characteristics are spectral-like.     

在酸性介质中N-H伪酸Mannich反应机理的量子化学研究

用量子化学中的ＳＣＦ－ＭＯＡＭ１方法，全优化计算了以苯并唑酮为伪酸组分的（Ｎ－Ｈ酸）Ｍａｎｎｉｃｈ反应的反应物、过渡态和产物络合物的分子几何构型、电子结构和生成热。根据计算所得各反应的活化能，提出了该反应在酸性介质中的机理，即甲醛首先与苯并唑酮作用，其产物再与二甲胺作用生成Ｍａｎｎｉｃｈ碱，并就其缘由进行了讨论。     

Two Isomers of C60F48: Computed Inter-isomeric Equilibrium

C₆₀F₄₈ has been known to exist in two isomeric forms of D₃ and S₆ symmetries. However, the quantum-chemical calculations have not agreed on their stability order though a near-isoenergetic picture is otherwise always encountered. In order to clarify the situation, the entropy effects are evaluated for synthetic temperatures of about 500K. The entropy evaluations suggest that the D₃ isomer should be more stable in the potential energy by 2.05-2.55 kcal/mol (to which term the ab initio data are closer than the semiempirical ones).