Cr在钢中的价电子结构分析

应用固体与分子经验电子理论(即余氏理论EET)分别计算了Cr溶入到奥氏体和马氏体中的价电子结构,从价电子结构层次分析了Cr在钢中的作用机理.结果表明:Cr溶入到奥氏体后晶胞内最强健的共价电子对数nA值降低,减小了马氏体相变时的阻力,从而降低了Ms点.Cr溶入到马氏体后晶胞内最强键的nA值明显增强,提高了钢的强度和硬度.马氏体Fe-C-Cr晶胞最强键的nA值超过了奥氏体Fe-C-Cr晶胞对应的键,这是马氏体比奥氏体硬度高的原因.     

中铬铸铁价电子结构及其对中温相变的影响

耐磨损290Cr8Si2中铬铸铁热处理中温相变的淬透性低于290Cr8Sil中铬铸铁。此文建立了290Cr8Si2中铬铸铁基体的价电子结构，运用固体与分子经验电子理论（EET）分析了中铬铸铁中Si对铸铁中温相变的影响，分析和实验结果表明，290Cr8Si2中铬铸铁基体含C、Cr、Si的γ-Fe晶胞中，C原子与Si原子的结合力强于C原子与Cr原子的结合力，中铬铸铁中较高的含Si量降低了铸铁基体的含Cr量，进而降低了中铬铸铁的淬透性。     

经验电子理论中与温度相关的价电子结构计算模型

通过合金平均线膨胀系数,建立起与温度相关的合金价电子结构计算模型,对该模型的理论基础进行了分析,研究了Cu和钢中γ-Fe-C含碳奥氏体晶胞价电子结构与温度的相关性。结果表明,温度可以显著影响合金价电子结构,温度升高时,其晶格常数增加,原子向较低杂阶迁移,各键的共价电子对数na及价电子结构中的相结构因子（nA、∑nc和FC^D）均出现了不同程度的下降。     

气体氮化对碳钢耐蚀性的影响及化合物层的价电子理论分析

对Q235钢进行低温气体氮化。采用扫描电子显微镜(SEM),X射线衍射(XRD)和电化学试验研究了气体氮化对Q235钢耐蚀性的影响;并利用经验电子理论(EET)计算了表面层的价电子结构及共价键键能。结果表明:气体氮化增加了Q235钢的耐蚀性;经气体氮化处理后的试样表面最强键的键强nA和键能Ea都大大高于α-Fe结构单元的nA和Ea,表明价电子结构与腐蚀性能之间有着密切的相关性。由于N原子溶入到α-Fe中,导致主键络的nA、Ea增加,提高了表层结构的稳定性,这可能是提高氮化处理后试样耐蚀性的根本原因。     

Zr含量对Al3(ZrxEr1-x)相价电子结构与合金性能的影响

用固体与分子经验电子理论(EET)计算研究了微量元素Er,Zr添加到铝合金中产生的Al3Er和Al(ZrIxEr1-x)相的价电子结构,探讨了不同Zr含量对Al3(ZrxFr1-x)相各电子结构参数的影响.计算结果表明:随着Zr原子含量的增加,表征强度性能的最强键上的共价电子对数na和相结构形成因子S会减小,这说明合金...     

SrBi_4Ti_4O_(15)的铁电相变和铁电性

通过原子环境计算分析正交相SrBi4Ti4O15(SBTi)的空间键络结构,根据固体与分子经验电子理论(EET)计算正交相SrBi4Ti4O15(SBTi)的价电子结构,进而求得晶体中各原子的有效价电子数。根据空间群理论构建SBTi铁电-顺电相变过程中的正交顺电结构(Aama)和四方顺电结构(I4/mmm),并通过原子坐标分析得到相变过程中晶体内各原子的原子位移。最后根据自发极化与原子位移和原子有效价电子数之间的关系,求得正交相SBTi沿a轴方向的自发极化强度为25.81μC/cm2,与实验结果和其他理论参考值吻合较好。     

Al-Cu合金GP区形成过程的价电子结构演变

基于EET理论和Gerold的Al-Cu合金GP区终态原子结构模型,建立GP区价电子结构计算模型,研究GP区价电子结构的演变过程,提出形成过程中GP区点阵常数的计算方法,计算GP区的价电子结构,分析了Cu含量对其价电子结构的影响。结果表明,Al-Cu合金时效过程中GP区是渐进形成的。在形成初期,Spinodal分解机制占主导作用;在形成后期,正常的形核-长大机制占主导作用。随着Cu原子的富集,GP区最强共价A键的共价电子对数nA逐渐增加,B、C、D键的共价电子对数nB、nC、nD逐渐减少。GP区A键变强的原因在于B、C、D键上的共价电子逐渐向A键转移。     

Mg微合金化对MoSi_2价电子结构及性能的影响

为了预测Mg微合金化对MoSi2性能的影响,运用固体与分子经验电子理论（EET）,采用键距差（BLD）以及平均原子模型的方法,对MoSi2和Mo（Si0.95,Mg0.05）2固溶体进行价电子结构分析,并计算各键键能。结果表明：Mg微合金化改变了Mo原子和Si原子的杂化状态,从而使相应的价电子结构参数发生变化。Mg微合金化之后,最强键上共价电子对数和键能降低,表明固溶体的熔点和硬度降低。共价电子数在总价电子数中所占比例下降,晶格电子数增加,因而Mg微合金化之后宏观上表现为材料的强度降低,但是塑性和导电性增加,脆性降低。     

TC4合金(α+β)/β转变温度的金相法测定与理论计算

采用连续升温金相法测定TC4合金的相变温度为985℃。基于EET理论与钛合金相变基本理论,以纯钛的α/β转变温度为依据,利用表征合金相重构难易程度的价电子结构参数nA,合金组成相α与β的晶胞权重W,相修正系数C及β稳定元素的温度系数TMc,给出了一种计算TC4合金(α+β)/β转变温度的EET方法。用该EET理论模型计算的TC4合金的相变温度为974.58℃。TC4合金(α+β)/β转变温度的EET理论计算值与连续升温金相法试验测定值的相对误差为1.1%,说明从价电子结构层次计算TC4合金的(α+β)/β相变温度是可靠的。     

ANALYSIS OF VALENCE ELECTRON AND MAGNETIC MOMENT STRUCTURES OF α-Fe, γ-Fe AND Fe_4N——ELECTRON THEORY OF CASE HARDENING, α-TO γ-Fe PHASE TRANSFORMATION AND CERTAIN OTHER RELATED PROCESSES

从一系列实验和理论结果的考虑,A型和B型的Fe的状态杂化用18级杂阶的形式组成。每级杂阶有不同的共价电子、原子磁矩和单键距等参数,根据这些参数和由N的双原子分子N_2光谱所及的单键距,α-Fe,γ-Fe和Fe_4N=Fe~cNEe_3~f的价电子和磁矩结构进行了分折。从所得结构,从中子衍射所得的α-Fe晶格空间的磁矩分布和α-Fe的[00],[111],[110]实验曲线得到理解。Fe~cNFe_3~f中Fe~c和Fe~f的差别找到了原因。α-Fe→γ-Fe~f是因为磁结构的来源曾谨慎加以考虑。高温氮化的来源均已追溯到共价电子结构的根源。     

新型的治疗阿尔茨海默氏症药物(1-二甲基磷酰基-2,2,2-三氯)-乙基-1-醇烟酸醋对体外神经细胞的作用

目的: 观察本实验室合成的一种治疗阿尔茨海默氏症(AD)的药物(1-二甲基磷酰基-2, 2, 2 -三氯)-乙基^-1-醇烟酸醋(NMF),对体外培养的皮层神经细胞活性的影响以及对海人藻酸(KA)所致的神经损伤的保护作用。方法: 采用体外培养皮层神经元的方法,解剖分离 15 d胚胎小鼠皮层神经细胞, 接种于 96孔板,48 h 后加药并培养 72 h,以 MIT 法 观察 NMF 对小鼠皮层神经细胞活性的影响;同时将接种于 24 孔板的细胞预先给予 NMF,d 3 时加或不加KA处理后,以台盼蓝染色鉴别并计数死、活细胞,可得出细胞的存活率。结果: NMF 明显促进胎鼠皮层神经元活性,其中 NMF1、0. 1、10nmol·L^-1促进神经元活性增殖率分别高达 34.7%、37.4%、36. 7%, NMF 明显促进正常胎鼠皮层神经元存活卒,与对照组比较,10nmol·L^-1 NMF 对皮层神经元的存活率分别提高 39.3%、73.5%。 NMF能显著 对抗 KA 所致的神经元损伤,与 KA 损伤组相比, NMF0.1、10、10nmol·L^-1对损伤皮层神经元的保护率分别为 77.30%、80.10%、84.15%。结论: NMF 明 显促进胎鼠皮层神经元的洁性、提高正常皮层神经元,的存活卒,并能有效地保护KA所致的神经元损伤,提示 NMF 是一种很有潜力的治疗 AD 的药物。     

Three-Dimensional Growth of Coherent Ferrite in Austenite: A Molecular Dynamics Study

Coherent second phase often exhibits anisotropic morphology with specifi c orientations with respect to both the second and the matrix phases. As a key feature of microstructure, the morphology of the coherent particles is essential for understanding the second-phase strengthening eff ect in various industrial alloys. This letter reports anisotropic growth of coherent ferrite from austenite matrix in pure iron based on molecular dynamics simulation. We found that the ferrite grain tends to grow into an elongated plate-like shape, independent of its initial confi guration. The fi nal shape of the ferrite is closely related to the misfi t between the two phases, with the longest direction and the broad facet of the plate being, respectively, consistent with the best matching direction and the best matching plane calculated via the Burgers vector content(BVC) method. The strain energy calculation in the framework of Eshelby's inclusion theory verifi es that the simulated orientation of the coherent ferrite is energetically favorable. It is anticipated that the BVC method will be applicable in analysis of anisotropic growth and morphology of coherent second phase in other phase transformation systems.     

Effect of Short-Time Aging on the Pitting Corrosion Behavior of a Novel Lean Duplex Stainless Steel 2002

The effect of short-time aging in the temperature range between 400 and 1000 °C on the pitting corrosion behavior and mechanical property of a novel lean duplex stainless steel(LDSS) 2002 was investigated through the potentiostatic critical pitting temperature(CPT) tests and the Charpy impact tests. Both the pitting corrosion resistance and the toughness of aged specimens degraded due to the precipitation of detrimental secondary phases and the most significant reduction of CPT and impact energy emerged at 650 °C concurrently. The CPT of LDSS 2002 specimen aged at 650 °C decreased by 28 °C, and the impact energy dropped from 69 to 29 J/cm~2 compared with the solution-annealed sample. Transmission electron microscopy characterization showed that the main precipitates in LDSS 2002 were Cr_2N and M_(23)C_6 along the ferrite–austenite grain boundaries.     

Information for Contributors

正The Transactions of Nonferrous Metals Society of China,founded in 1991 and sponsored by The Nonferrous Metals Society of China,is published monthly now and mainly contains reports of original research which reflect the new progresses in the field of nonferrous metals science and technology,including mineral processing,extraction metallurgy,metallic materials and heat treatments,metal working,physical metallurgy,powder metallurgy,with the emphasis     

Preface

<正>We are pleased to present this Special Issue of Transactions of Nonferrous Metals Society of China containing selected papers from the First Asian Conference on Aluminum Alloys(ACAA-2013),held in Beijing,China,13–17 October 2013.This conference has been initiated,with approval of     

Information for Contributors

The Transactions of Nonferrous Metals Society of China, founded in 1991 and sponsored by The Nonferrous Metals Society of China, is published monthly now and mainly contains reports of original research which reflect the new progresses in the field of nonferrous metals science and technology, including mineral processing, extraction metallurgy, metallic materials and heat treatments, metal working, physical metallurgy, powder metallurgy, with the emphasis on fundamental science. It is the unique preeminent publication in English for scientists, engineers, under/post-graduates on the field of nonferrous metals industry. This journal is covered by many famous abstract/index systems and databases such as SCI Expanded, Ei Compendex Plus, 1NSPEC, CA, METADEX, AJ and JICST.     

INTRODUCTION TO PATENTS

The invention provides a method of making a mold which can reduce SOx generation rate while preventing decrease in hardening rate in the case of using sulfuric acid for a hardener composition. The method has a mixture step in which fire-resistant particles, a hardener composition and a binder composition are mixed to obtain a composition for a mold. The hardener composition contains sulfuric acid. In the mixture step, sodium carbonate is added. A molar ratio of the sulfuric acid to the sodium carbonate is 0.5 or more and 4.0 or less.     

China Foundry Week 2014

China Foundry Week, hosted by the Foundry Institution of Chinese Mechanical Engineering Society （FICMES） each year, is a large academic event in China. It is one of the ten high-impact activities sponsored by the Chinese Mechanical Engineering Society.     

17th Conference of Hydrodynamic and Electromechanical Control Engineering Call for papers

正1.Contents In order to promote the academic exchanges and technical communication of the research in the field of fluid power transmission and control,fluid control engineering specialized committee of the Chinese Society of Theoretical and Applied Mechanics will hold the 17th Conference of Hydrodynamic and Electromechanical Control Engineering on July 27-29,2014 in Tibet,Lhasa city.     

Formulas of Tension of Continuous Rolling Process

The development of computer controlled continuous rolling process calls for a mathematical expression that can express the inequality condition of "constant flow". Tension is the link of the continuous rolling process. From the condition of dynamic equilibrium, a differential equation of tension is given out. On the basis of the physical rules established from the industrial practice and experimental studies, the law of volume constancy, the linear relation of forward slip and tension, the state equation of continuous rolling, the formula of dynamic tension, and the formula of static tension have been obtained. These formulae reflect the functional relations between tensions, thickness, roll velocity, and time in the continuous rolling process. It is implied that the continuous rolling process is a gradually steady, controllable, and measurable dynamic system. An assumption of predicting the thickness of a steel plate using these tension formulae is also put forward.