A3钢在含Fe^3＋的盐酸溶液中的脆机理

应用原子氢渗透速率测量传感器测定了在５％ＨＣｌ溶液中添加不同含量的Ｆｅ＾３＋时体系渗氢水平（渗氢电流）的变化；采用慢应变速率拉伸（ＳＳＲＴ）试验研究了Ａ３钢在５％ＨＣｌ＋Ｆｅ＾３＋溶液中于阴、阳极极化电位下的脆断敏感性及其断裂机制。结果表明，随着溶液中Ｆｅ＾３＋含量的增加，渗氢水平逐渐下降；Ａ３钢在溶液中的脆性系数（Ｆ％）随Ｆｅ＾３＋含量变化曲线上出现一个极小值；在含０．０１％Ｆｅ＾３＋的盐酸溶液     

快速凝固Al－8．32Fe－3．4Ce合金的热稳定性和组织结构的关系

研究了快速凝固Ａｌ－８．３２Ｆｅ－３．４Ｃｅ高温铝合金在不同温度长时间热暴露后的室温力学性能和相析出。实验结果表明Ａｌ－８．３２Ｆｅ－３．４Ｃｅ一直到３１５℃有较好的热稳定性，热稳定性和相析出及相长大有密切关系。不同热暴露后得到的析出相分别为Ａｌ＿（１３）Ｆｅ＿４，Ａｌ＿ｍＦｅ，Ａｌ＿８Ｃｅ，Ａｌ＿（１３）Ｆｅ＿３和Ａｌ＿（１６）Ｃｅ＿３Ｆｅ等等。其中Ａｌ＿８Ｃｅ和Ａｌ＿（１３）Ｆｅ＿３Ｃｅ在文献中未见报道。     

A3钢在含Fe~（3＋）的盐酸溶液中的脆断机理

应用原子氢渗透速率测量传感器测定了在５％ＨＣｌ溶液中添加不同含量的Ｆｅ（３＋）时体系渗氢水平（渗氢电流）的变化；采用慢应变速率拉伸（ＳＳＲＴ）试验研究了Ａ３钢在５％ＨＣｌ＋Ｆｅ（３＋）溶液中于阴、阳极极化电位下的脆断敏感性及其断裂机制．结果表明，随着溶液中Ｆｅ（３＋）含量的增加，渗氢水平逐渐下降；Ａ３钢在溶液中的脆性系数（Ｆ％）随Ｆｅ（３＋）含量变化曲线上出现一个极小值；在含０．０１％Ｆｅ（３＋）的盐酸溶液中，阴极极化使Ｆ％增大，阳极极化则使Ｆ％减小；而在含０．３％Ｆｅ（３＋）的盐酸溶液中，极化的作用相反．结合断口的ＳＥＭ照片分析，认为５％ＨＣｌ溶液中Ｆｅ（３＋）含量的增加，使得Ａ３钢在该溶液中的断裂由氢致开裂机制向阳极溶解机制转变．     

快速凝固Al—8.32Fe—3.4Ce合金的热稳定性和组织结构的关系

研究了快速凝固Ａｌ－８．３２Ｆｅ－３．４Ｃｅ高温铝合金在不同温度长时间热暴露后的室温力学性能和相析出。实验结果表明Ａｌ－８．３２Ｆｅ３．４Ｃｅ一直到３１５℃有较好的热稳定性，热稳定性和相析出及相长大有密切关系。不同热暴露后得到物析出相分别为Ａｌ１３Ｆｅ４，ＡｌｍＦｅ，Ａｌ８Ｃｅ，Ａｌ１３Ｆｅ３Ｃｅ和Ａｌ１６Ｃｅ３Ｆｅ等等。其中Ａｌ８Ｃｅ和Ａｌ１３Ｆｅ３Ｃｅ在文献中未见报道。     

三元Fe3Al基金属间化合物价电子结构分析

依据固体与分子经验电子理论，分析了Ｆｅ３Ａｌ基金属间化合物的价电子结构，建立了ＤＯ３型晶胞的键络模型，为提示合金成分－结构－性能与Ｆｅ３Ａｌ合金相价电子结构的关系作了初步尝试。     

B_2型Fe_3Al金属间化合物的应力腐蚀和氢致开裂SCIEI

用ＷＯＬ恒位移试样研究了Ｂ_２结构的Ｆｅ_３Ａｌ和Ｆｅ_３Ａｌ＋Ｃｒ的应力腐蚀和氢致开裂．结果表明，水中应力腐蚀的门槛值和裂纹扩展速率均高于动态充氢时的相应值加Ｃｒ能提高Ｆｅ_３Ａｌ的Ｋ_（ＩＣ），Ｋ_（ＩＳＣＣ）和Ｋ_（ＩＨ）．氢致开裂断口随Ｋ_Ｉ下降由解理向沿晶转变，水中应力腐蚀则全是解理断口，这与Ｋ_（ＩＳＣＣ）较高有关．     

STRESS CORROSION CRACKING AND HYDROGEN INDUCED CRACKING OF ORDERED B_2－TYPE Fe_3Al

用ＷＯＬ恒位移试样研究了Ｂ_２结构的Ｆｅ_３Ａｌ和Ｆｅ_３Ａｌ＋Ｃｒ的应力腐蚀和氢致开裂．结果表明，水中应力腐蚀的门槛值和裂纹扩展速率均高于动态充氢时的相应值加Ｃｒ能提高Ｆｅ_３Ａｌ的Ｋ_（ＩＣ），Ｋ_（ＩＳＣＣ）和Ｋ_（ＩＨ）．氢致开裂断口随Ｋ_Ｉ下降由解理向沿晶转变，水中应力腐蚀则全是解理断口，这与Ｋ_（ＩＳＣＣ）较高有关．     

Fe3Al金属间化合物的电学性能

本文研究了Ｆｅ３Ａｌ金属间化合物的电学性能。结果表明,二元Ｆｅ３Ａｌ有很高的电阻率,二元Ｆｅ３Ａｌ的电阻率与Ａｌ含量有关;合金化可进一步提高Ｆｅ３Ａｌ的电阻率。在２０－１１００℃范围内,发现Ｆｅ３Ａｌ的电阻率在某些温度区内存在反常现象。对这一现象本文进行了理论分析。     

快速凝固Al—8.3Fe—1.9V—2.1Si合金的相转变

借助扫描电子显微分析、Ｘ射线衍射技术、差热分析手段研究了快速凝固Ａｌ－８．３Ｆｅ－１．９Ｖ－２．１Ｓｉ合金的相组成及相转变温度。结果表明，合金中的相组成为αＡｌ＋Ａｌ１３（Ｆｅ，Ｖ）３Ｓｉ相；在６３８℃－６４５℃温度范围内，立方结构的Ａｌ１３（Ｆｅ，Ｖ）３Ｓｉ相向六方结构的Ａｌ３（Ｆｅ，Ｖ，Ｓｉ）相转变。钒添加至Ａｌ－Ｆｅ－Ｓｉ合金中，提高了快速凝固Ａｌ－８．３Ｆｅ－１．９Ｖ－２．１Ｓｉ合金粉末的     

GL渗铝钢管渗铝层的显微硬度及相组成

采用光镜、显微硬度计、扫描电镜（ＳＥＭ）、电子探针（ＥＰＭＡ）和Ｘ－射线衍射等试验方法，对感应料浆法（ＧＬ）渗铝钢管Ｆｅ—Ａｌ合金渗层的显微硬度和相组成特征进行研究。结果表明，ＧＬ渗铝钢管渗铝层显微硬度由表及里为６００～３２０ＨＭ，渗铝层由α─Ｆｅ（Ａｌ）固溶体、Ｆｅ３Ａｌ和ＦｅＡｌ相构成，不存在含铝较高的ＦｅＡｌ２、Ｆｅ２Ａｌ５和ＦｅＡｌ３等脆性相，改善了渗铝钢的抗变形能力和焊接性能。     

Al—Cu—Mg—Si系锻铝合金夹杂相的微观结构

利用Ｘ射线能谱分析和选区电子衍射技术对工业ＡｌＣｕＭｇＳｉ系锻铝合金中粗大夹杂物的成分和结构类型进行了研究     

Microscopic phase-field modeling of atomic anti-site behaviors in precipitation progress of Ni3(AlFe)

The effects of temperature on atomic anti-site behaviors in L12-Ni3(AlFe) phases were studied using microscopic phase-field dynamic model in precipitation progress of Ni75Al20Fe5 alloy.The results show that with the increase of temperature,the formation of NiAl and AlNi anti-sites is much easier in Ni3(AlFe),and Ni and Al anti-site atoms show clearly stronger temperature-dependent than Fe anti-site atoms.The evolution progress of anti-site atoms is completed at the initial growth stage of L12-Ni3(AlFe) phases.The site occupation probabilities of Ni atoms on the sublattice A(NiNi,face centers sites of FCC),and Al and Fe atoms on the sublattice B(AlAl and FeAl,corners sites of FCC) all present the degressive tendency with the temperature increasing.Fe atoms mainly prefer to occupy the Al sublattice at the whole temperature range.     

Effective formation energies of atomic defects in D03Fe3Al: an ab-initio study

The effective formation energies of atomic defects in D0₃---Fe₃Al are determined within the framework of a grand-canonical statistical method. The grand-canonical defect formation energies entering this method are calculated by the ab-initio mixed-basis pseudopotential method. Thermal vacancies appear on the sublattice of the Fe atoms with an effective formation energy of 1.25 eV and on the Al sublattice (about 1.4 eV). The structural defects are Al antisite atoms on the γ sublattice of the Fe atoms or Fe antisite atoms on the Al sublattice.     

First-principles study of the influence of lattice misfit on the segregation behaviors of hydrogen and boron in the Ni–Ni3Al system

A first-principles method is employed to investigate the segregation behaviors of hydrogen and boron in Ni-based and Ni₃Al-based alloys using two models. Chemical binding energy analysis shows that both boron and hydrogen are able to segregate to the interstices in the Ni phase, Ni₃Al phase and Ni/Ni₃Al interface. Boron, however, is bound to its neighbor atoms more tightly than hydrogen in both models and its stable state exists over a broader lattice misfit range compared with hydrogen. The bond order analysis we have proposed reveals the origin of the boron-induced ductility and hydrogen-induced embrittlment at the Ni/Ni₃Al interface with different lattice misfit. The calculations indicate that hydrogen causes more severe embrittlement at the Ni/Ni₃Al interface in Ni₃Al-based than in Ni-based alloys. Furthermore, it is found that the boron-induced ductility and hydrogen-induced embrittlement are changed, and thus controllable, by the lattice misfit. Our results provide a quantitative explanation of many experimental phenomena caused by the addition of boron and hydrogen to Ni-based and Ni₃Al-based alloys.     

Correlation between local clusters and structure of Al_(71) Cu_(29) melt

1　INTRODUCTIONMuchattentionhasbeendevotedtotheresearchontheliquidstructureofmetalsinrecentyears .Theatomsinmeltareneitherregularlyarrangedinlong range,norcompletelydisordered .Howtodescribethedistributionofatomsinliquidisstillaproblemunsolved .Manymethodshavebeenusedtostudythestructureofclustersinliquid .Themoleculardynam icsiswidelyusedincomputersimulationofmeltandmanyresearcheshavediscussedthemicrostructureofliquidalloys[1,2 ] .However ,theexactstructureoftheshort rangeorderinliquidis…     

Quantum chemical molecular dynamics study of stress corrosion cracking behavior for fcc Fe and Fe–Cr surfaces

Quantum chemical molecular dynamics simulation was applied to study the oxidation of bare Fe (1 1 1) and Fe–Cr (1 1 1) surfaces with strain in high temperature water. Simulation results implied the surface morphologies differ from Fe to Fe–Cr because of strong bond between oxygen and chromium atoms. Oxygen atoms were trapped around chromium atoms at Fe–Cr surface, whereas oxygen penetrated into the lattice of Fe bare surface. As a result, the oxygen diffusivity into the Fe–Cr crystal surface reduced. It indicated that the preferential oxidation of chromium would take place on Fe–Cr clean surface at the beginning of the oxidation process. Diffusion of hydrogen and oxygen significantly increased when strain applied to the defective surface. Hydrogen atoms being in the lattice of metal possessed the highly negative charge which indicated the surface oxidized by this negative charge H. Negative charged oxygen atoms make bond with the metallic atom which breakage ultimate metal–metal bond. These bond breakages indicated the formation of oxide layer on the surface and play a key role in subsequent localized corrosion nucleation like stress corrosion cracking.     

The effects of boron and hydrogen on the embrittlement of polycrystalline Ni3Al

The discrete-variational method within the framework of density functional theory is used to study the effects of both boron and hydrogen on the embrittlement of polycrystalline Ni₃Al. The calculated results show that there are strong repulsive interaction between the boron and the hydrogen atoms, if they occupy the nearest interstitial sites, respectively, in the Ni₃Al grain boundaries. It indicates that the boron atoms inhibit the diffusion of hydrogen atoms along the grain boundary. It may be the main reason why boron can suppress the moisture induced hydrogen embrittlement. Our results also show that the attractive interactions between boron and some substrate atoms are weakened, but the attractive interactions between boron and other substrate atoms are enhanced, when hydrogen atoms are forced into the grain boundary and occupy the nearest interstitial sites to boron atoms. As a result, the bonding states are polarized in the local region of the grain boundary. It may suppress the movement of slips across the grain boundary. Furthermore, the weakening effects of hydrogen to the grain boundary are hardly affected by the boron atoms, even though they are very near to each other. It can be concluded that hydrogen embrittlement takes place when the boron-doped polycrystalline Ni₃Al are charged with hydrogen.     

金属间化合物Al5Fe2液固两相结构的相关性

通过对金属间化合物Ａｌ５Ｆｅ２的液态与固态Ｘ射线衍射结果的对比,显示液态及固态结构之间存在密切的相关性。合金熔体Ａｌ５Ｆｅ２中Ｆｅ原子的最近邻均为Ａｌ原子,由此形成的原子团在空间排列成的超结构与Ａｌ５Ｆｅ２的晶体结构相似。