基于分子动力学的Cu3Sn/Cu界面元素扩散行为数值模拟

文中采用修正的嵌入原子势函数(modified embedded atomic method, MEAM)的分子动力学模拟,研究了无铅焊点中Cu3Sn/Cu界面元素的扩散过程,对界面元素的扩散行为进行了分析计算,获得了界面各元素的扩散激活能,根据元素扩散的经验公式得出界面过渡区的厚度表达式. 结果表明, 扩散过程中主要是铜晶格中Cu原子向Cu3Sn晶格中扩散. 其中,铜晶格内原子以较慢的速率扩散,但可以深入Cu3Sn晶格内部,Cu3Sn中原子以较快的速率扩散,但难以进入铜晶格内部. 结合阿伦尼乌斯关系和爱因斯坦扩散定律,计算得到界面处铜晶格原子的扩散激活能为172.76 kJ/mol,界面处Cu3Sn晶格中Cu原子扩散激活能为52.48 kJ/mol,Sn原子扩散激活能为77.86 kJ/mol.     

Cu元素在二元等原子比合金中的扩散现象

研究了Cu₅₀Ni₅₀、Cu₅₀Co₅₀、Fe₅₀Ni₅₀、Fe₅₀Cr₅₀ 4种二元等原子比合金在镀铜并经850 ℃×10 h扩散处理后扩散层的显微组织及成分分布。结果表明,经过850 ℃×10 h扩散处理后,在Cu₅₀Ni₅₀等原子比合金中,由于适配空位的存在,Ni元素与Cu元素之间发生了明显的互扩散,并且Cu元素往往在晶界处发生互扩散;在Cu-Fe₅₀Ni₅₀扩散偶中,Cu元素和Fe元素之间发生了互扩散;但是在Cu-Fe₅₀Cr₅₀和Cu-Cu₅₀Co₅₀扩散偶中,各个元素均没有发生扩散。     

ICP-AES法测定金属铌中Cu元素的方法研究

研究酸对铌中Cu杂质测量的影响,分析谱线的选择以及基体元素、共存元素对待测元素Cu的光谱干扰,建立了电感耦合等离子体原子发射光谱法测定铌中Cu杂质的分析方法。结果表明:硝酸5 mL、氢氟酸2 mL和盐酸2 mL的混合酸对Cu的测量无影响。共存元素对待测元素Cu的测量无干扰。基体元素对Cu的测量有背景干扰和光谱干扰,避开干扰谱线,使用基体匹配方法消除背景干扰,选择了合适的分析光谱线。用此方法可以准确、可靠地测定铌中含量范围在0.001%~0.010%的Cu杂质,加标回收率为90%~106%,RSD小于7.23%。     

Ti/Cu固相相界面扩散溶解层形成机制的研究

采用镶嵌式扩散偶,在不同退火处理条件下,对Ti/Cu扩散溶解层的形成机制进行了研究.利用扫描电子显微镜背散射电子像和二次电子像观察和分析扩散溶解层的形态和结构,从扩散、溶解与结晶角度研究扩散溶解层的形成机制.结果表明:在不同的扩散温度和时间下,Ti/Cu相界面扩散溶解层的形成是Ti和Cu固相扩散、溶解与结晶的结果;相界面处将几乎同时结晶出不同层数、厚度和结构的扩散溶解层;Cu或Ti原子百分含量相对较低的Cu-Ti化合物优先形成,究竟形成一个还是几个相层,这主要由Cu在Ti中和Ti在Cu中的的浓度分布决定.Ti和Cu在700℃固相扩散时,原子扩散流为Cu扩散进入Ti,Ti很少扩散进入Cu,因此,除了Cu4Ti相层在Cu丝上形成以外,其余5个相层都在Ti基体上形成;Cu2Ti和Cu3Ti2以及Cu4Ti3和CuTi化合物相层几乎同时形核并以"竹笋状"方式相向长大,互相交错重叠,表现出比较明显的浮凸;另外,Cu4Ti和CuTi2化合物相层以"平面状"方式长大.     

分析右美托咪定静脉泵注在全身麻醉中的应用效果

采用第一性原理计算与实验相结合的方法探究了Cu元素掺杂所造成的元素之间的交互作用对Inconel 718合金Nb偏析的影响。构建了掺杂前后Ni-Fe-Cr-Nb超晶胞模型,计算了掺杂前后各体系的形成热、结合能、态密度、差分电荷密度以及布居分布。计算结果表明,Cu原子的掺杂降低了体系的稳定性;掺杂改变了体系中元素之间的交互作用,影响了原子之间的键合强度及电荷密度分布,Cu的添加增加了基体中Fe原子和Cr原子之间的结合力,但同时也增加了Fe原子和Nb原子之间的排斥力。实验结果表明,微量Cu元素的加入降低了Fe和Cr的偏析,但促进了Nb元素的偏析。第一性原理计算和实验结果表明,Cu掺杂后Nb原子与周围Fe原子间排斥力的增加是Cu促进Nb偏析的本质原因。     

低频电磁铸造Al-4.5%Cu合金微观偏析研究

利用直接水冷半连续(常规DC)铸造工艺和低频电磁铸造(LFEC)工艺分别制备了Al-4.5%Cu(质量分数)合金铸锭. 测量了常规DC铸造和LFEC过程中的温度曲线, 研究了低频电磁场条件下的铸锭微观组织变化和Cu元素的微观偏析. 通过金相观察发现, 在低频电磁场作用下, α-Al和$\theta$相的共晶组织变得细小, 其面积分数明显减小. 利用电子探针测量结果绘制Cu元素成分曲线, 发现在凝固的最初过渡区, Cu元素的成分曲线在低频电磁场作用下升高, α-Al中Cu元素含量增加. 通过计算得到Cu元素的有效分配系数k_e, 发现在最初过渡区k_e线性增大到1. LFEC工艺使得Cu元素的k_e变大, 并且随着电流强度的增强这一趋势愈发明显. 由于低频电磁场加速了凝固前沿的冷却速度, 使更多的Cu原子固溶在 α-Al中, Cu元素在铸锭中的微观偏析得到了改善.     

Cu粉和Sn粉相界面扩散溶解层的研究

采用粉末烧结的方法制备出了Cu/Sn扩散溶解层;利用光学和电子显微镜观察了该扩散溶解层的形貌,用X射线衍射和能谱技术分析了该扩散溶解层的相组成;依据TFDC电子理论对Cu/Sn扩散溶解层的结构进行了讨论.研究发现,Cu粉和Sn粉在200℃,10 h的烧结过程中,Sn原子不断扩散进入到Cu晶体中,在Cu粉和Sn粉颗粒界面处,先后依次形成一定厚度的Cu6Sn5、Cu81Sn22、Cu39Sn11和Cu327.92Sn88.08金属间化合物扩散溶解层,该扩散溶解层的结构为Cu相、界面Cu/Cu327.92Sn88.08、Cu327.92Sn88.08相、界面Cu327.92Sn88.08/Cu39Sn11、Cu39Sn11相、界面Cu39Sn11/Cu81Sn22、Cu81Sn22相、界面Cu81Sn22/Cu6Sn5、Cu6Sn5相、界面Cu6Sn5/Sn;4种金属间化合物相呈"层"状分布.     

二元合金离子剥离Auger谱逐层分析

对均匀二元合金的表面进行机械清洁处理,得到元素深度分布为已知的试样,并对这样的试样做了离子剥离逐层分析.试验结果表明,Auger-离子剥离逐层分析得到的元素分布不能精确地反映元素的真实分布.除因选择性剥离造成的稳定态浓度偏离体浓度外,有时还在近表面处出现一个元素“贫乏层”(或富集层).本文也对引起逐层分析曲线“失真”的原因及用这种方法做逐层分析时应注意的问题做了简单说明.     

银铜镍钎料钎焊高氮不锈钢的分子动力学模拟

利用Lammps软件对AgCuNi钎料真空钎焊高氮不锈钢的相关二元体系（Fe-Cu和Fe-Ni）元素扩散过程进行分子动力学模拟。结果表明,Fe-Cu和Fe-Ni二元体系相互扩散现象明显,扩散层厚度随着扩散时间增加而增加。在Fe-Cu体系的扩散过程中只有原子相互扩散,但Fe-Ni体系的扩散过程中既有原子扩散又有中间相生成。在Fe-Cu二元体系中,Fe原子的均方位移和扩散系数均大于Cu原子,因此Fe原子的扩散能力大于Cu原子。在Fe-Ni二元体系中,Fe原子的均方位移和扩散系数都大于Ni原子,因此Fe原子的扩散能力也大于Ni原子。随着扩散温度升高,原子均方位移和扩散系数增大,扩散能力越强。     

Ag/Cu钎焊复合带材轧制和退火研究

利用Ag-28Cu合金钎焊复合制备Ag/Cu复合材料,经轧制加工成复合带材。研究轧制变形和扩散退火对复合界面形貌、界面组织和性能的影响,以及界面元素扩散特征。结果表明,随着轧制变形量增加,Cu、Ag-28Cu和Ag发生协调变形,复合界面由波浪形,转变成锯齿状,最后Cu层整体向Ag层倾斜。随着加工率增加,Cu层硬度逐渐降低,Ag-28Cu层硬度显著升高,Ag层硬度不变。随着退火温度增加,界面组织逐渐长大粗化,复合层宽度增加。界面原子扩散行为主要是Cu原子向Ag中发生扩散,退火温度增加时,Ag-28Cu层中Cu原子向Ag侧逐渐减少,Ag层中的Cu原子含量增加,Cu和Ag层硬度没有发生变化,而Ag-28Cu层硬度逐渐降低。     

MATHEMATICAL MODELS OF NITROGEN CONCENTRATION PROFILE OF ION NITRIDED LAYERS AND COMPUTER SIMULATION

The mathematical models of the kinetics of the layer growth at different ion nitriding condi-tions of armco iron.steels 45,40Cr,42CrMo and 38CrMoAl have been established.Based onthese models the expression of nitrogen concentration profile of ion nitrided layers have beendeduced with profile simulating method.They areC_=C_(min)~+(P_4)/(ξ_1-x)+(P_5)/(ξ_(10)~2)(ξ_1-x)~2C_(γ′)=C_(min)~(γ′)+(P_1)/(ξ_(21))(ξ_2-x)+(P_2)/(ξ_(21)~2)(ξ_2-x)~2C_α=C_(min)~α+(C_(33))/(C_(33))/(ξ_(32))(ξ_3-x)~3Using these models,the kinetics of layer growth and the nitrogen concentration profile of ionnitrided layers were sinulated on Apple-Ⅱ computer.Results show that the simulated curvescoincide quite well with the experimental data.     

Key technologies of “zero die trial” design system for aluminum profile extrusion

Aluminum alloy profile parts are widely used in the fields of aviation, equipment, automobile and ornamental industries. The construction method for “zero die trial” intelligent design system of aluminum extrusion die was studied based on KBE idea. An object-oriented knowledge language AEKL(Aluminum Extrusion Knowledge Language) was developed to construct intelligent knowledge model with three methods, frame, parameters and rules. On the aspect of knowledge reasoning, case-based reasoning was employed in addition to traditional rule-based reasoning method. API provided by CAD platform was used in geometry disposal. Finally, the corresponding prototyping system was established and an design example was shown.     

STUDY OF Ag DIFFUSION INTO Cu SINGLE CRYSTALS BY RUTHERFORD BACKSCATTERING SPECTROMETRY

4.0Me V 7Li++ RBS was used for investigations of thermal diffusion of Ag in Cu single crystals. The annealing of samples was carried out in vacuum in the temperature range from 498K to 613K. The element depth concentration profiles transformed from RBS spectra indicate that the diffusion of Ag into Cu is a typical volume diffusion. The Arrhenius parameters corresponding to the diffusion were obtained.     

热处理对PI基板铜薄膜金属化TiN阻挡层的影响

聚酰业胺(PI)材料具有介电常数低，分解温度高及化学稳定性好等优点，是很有前途的电子封装材料。Cu具有低的电阻和高的抗电迁移能力，足PI基板金属化的首选材料。采用物理气相沉积(PVD)方法在PI基板上沉积Cu薄膜，利用TiN陶瓷薄膜阻挡Cu向PI基板内部扩散。研究热处理条件下TiN陶瓷薄膜阻挡层的阻挡效果、Cu膜电阻变化以及Cu膜的结合强度，俄歇谱图分析表明TiN可以有效地阻挡Cu向PI内的扩散。300℃热处理消除了Cu膜内应力，提高了Cu膜的结合强度。     

The Characterization of Sputtered Zr-Ge-N Thin Films as Diffusion Barriers Between Copper and Silicon

The main purpose of the present micro-structural analysis by transmission electron microscopy(TEM)and X-ray diffraction(XRD)was to investigate whether amorphous Zr-Ge-N films are a potential candidate as a diffusion barrier for Cu wiring used in Si devices.The Zr-Ge-N films were prepared by a radio frequency(RF)reactive magnetron sputter-deposition technique using N2 and Ar mixed gas,and the film structure was found to be sensitive to the gas flow ratio of N2 vs.Ar during sputtering.Polycrystalline Zr-Ge-N films were obtained when the N2/(Ar+N2)ratio was smaller than 0.2 and amorphous-like Zr-Ge-N films were obtained when the ratio was larger than 0.3.Diffusion barrier test was performed by annealing the Cu/Zr-Ge-N/Si film stack under Ar atmosphere.The deposited Zr-Ge-N(C)films remained amorphous even after high temperature annealing.The Cu diffusion profile in the film was assessed by the Auger electron spectroscopy(AES).The results indicate that Cu diffusion was minimal in amorphous Zr-Ge-N(C)films even at high annealing temperatures of 800℃.     

带钢在连续退火过程中的板形屈曲变形原因分析

现场跟踪发现，带钢经过连续退火炉的板形变化复杂多样，而且其程度不亚于轧制过程。为此运用带钢的板形屈曲及后屈曲理论，分析了退火炉内高温态下带钢的板形屈曲临界条件，结合板形生成理论，指出退火炉内带钢板形发生变化的原因和主要相关因素。     

Scaling effects on grain boundary diffusivity; Au in Cu

This work quantifies the effect of grain size on grain boundary diffusivity. Diffusion of Au into Cu thin films of varying grain size is measured using secondary ion mass spectroscopy depth profiles. Appropriate models for fitting the composition profiles to analytical solutions to diffusion equations are identified by characterizing the microstructure both before and after the diffusion anneal. Finite-element numerical simulations are also employed to extract the diffusion coefficients directly from fits to experimental data. The results indicate that factors such as non-columnar grains, migrating grain boundaries, dislocations and stress gradients must be appropriately accounted for in order to obtain meaningful results. Overall, a strong scaling effect is not observed, which suggests that the atomic structure of boundaries in nanocrystalline thin-film materials probably resembles that of their coarse-grained counterparts.     

X射线衍射线形Fourier变换

采用计算机辅助实验技术，研究X射线衍射线开在仪器宽化修正过程中Fourier系数变化的规律及其影响，结果表明，只要实测线形接近Gauss 分布，Fourier变换就会导致弯勾效应；Forier变换可引起真实线形的尾部波动及大于实际值的宽化，引入边界条件可予以消除，Kα双线形经过Fourier变换后，Fourier纱数与真实Fourier系数存在着一定的差异。通过真实线形的Fourier变换可以修正。     

Grain boundary diffusion and recrystallization in ultrafine grain copper produced by equal channel angular pressing

The diffusion of ⁶³Ni radiotracer in ultrafine grain (UFG) Cu produced by equal channel angular pressing (ECAP) was studied using the serial-sectioning method. The diffusion annealings were performed in the temperature range of 424–553 K for annealing times at which volume diffusion is negligible and only short-circuit diffusion occurs. Complete or partial recrystallization occurred during all heat treatments, and the explicit expression describing the kinetics of recrystallization was obtained from observations of the microstructure after annealing treatments. The measured radiotracer penetration profiles exhibited two distinct slopes, indicating the co-existence of “slow” and “fast” short-circuit diffusion paths in the system. Based on the results of previous studies, the former were associated with the general high-angle grain boundaries in the non-recrystallized, UFG matrix. A model that considers diffusion in UFG polycrystal undergoing recrystallization was developed. Application of this model enabled us deriving the diffusion coefficients along the grain boundaries in UFG matrix from the experimentally measured radiotracer penetration profiles.     

铝电解槽膛内形在线动态仿真理论研究

通过分析熔体特性与槽膛内形的关系以及参数随时间变化的规律，将影响槽膛内形的诸多工艺参数分为静态影响因素和动态影响因素两类；详细分析了动态影响因素的影响作用，并给出了多个动态影响因素对槽膛内形的数值估算方法。在此基础上，提出了能初步应用于现场的槽膛内形在线动态仿真技术方案