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First-Principles Calculation on Dissociation of Hydrogen Molecule in Nickel 氢分子在镍中解离的第一性原理计算
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1114
Jing-Zhi Yu, Qiang Sun, Qian Wang, Utako Onose, Y. Akiyama, Y. Kawazoe
The behavior of hydrogen in Ni was investigated using the first-principles calculations. It was found that there exists only atomic hydrogen in Ni. The hydrogen resides the octabedron, and the lattice constant expands linearly with the concentration of hydrogen. On the basis of a statistical thermodynamic model, the dependency of hydrogen solubility on temperature in Ni was also investigated, and it was found that magnetization does not favor the dissolution of hydrogen, which is in agreement with the experimental results.
用第一性原理计算研究了氢在Ni中的行为。发现镍中只存在原子氢。氢位于八面体中,晶格常数随氢的浓度线性扩展。在统计热力学模型的基础上,研究了氢在Ni中的溶解度随温度的变化规律,发现磁化不利于氢的溶解,这与实验结果一致。
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引用次数: 5
Hydrogen-induced disproportionation of Zr2Co 氢诱导Zr2Co歧化反应
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1146
M. Hara, R. Hayakawa, Kuniaki Watanabe
The kinetics of hydrogen-induced disproportionation of Zr 2 Co was studied by the conventional constant volume method in a temperature range of 773 to 873 K. It was found that Zr 2 Co disproportionated as 2Zr 2 Co + 3H 2 → 3ZrH 2 + ZrCo 2 through a two-step mechanism as 1) Zr 2 Co + H 2 → ZrH 2 + ZrCo and 2) 2ZrCo + H 2 → ZrH 2 + ZrCo 2 . The first step was very fast and completed within only 100 s at 773 K. The rate, however, decreased with increases in temperature The apparent rate constant for the first step disproportionation was determined to be k = 2.0 × 10 -2 exp[15.0 × 10 3 (J/mol)/RT], where the kinetics could be explained by nucleation and one-dimensional growth model. The kinetics of the second step disproportionation could be explained by nucleation and three-dimensional growth model.
在773 ~ 873 K的温度范围内,用常规的等体积法研究了氢诱导zr2co歧化反应动力学。结果表明,zr2co的歧化反应为:1)zr2co + h2→ZrH 2 + ZrCo和2)2ZrCo + h2→ZrH 2 + ZrCo。第一步非常快,在773 K下仅100秒就完成了。第一步歧化反应的表观速率常数为k = 2.0 × 10 -2 exp[15.0 × 10.3 (J/mol)/RT],其动力学可以用成核和一维生长模型解释。第二步歧化反应的动力学可以用成核和三维生长模型来解释。
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引用次数: 7
Microstructure and tensile properties of rolled Mg-5.5 mass%Zn-0.6 mass%Zr alloy 轧制Mg-5.5质量%Zn-0.6质量%Zr合金的组织与拉伸性能
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1154
T. Mohri, T. Nishiwaki, T. Kinoshita, H. Iwasaki, M. Mabuchi, M. Nakamura, T. Asahina, T. Aizawa, K. Higashi
The microstructure and tensile properties of a rolled specimen of Mg-5.5 mass%Zn-0.6 mass%Zr alloy are investigated. A relatively small grain size of 15.9 μm was obtained in the rolled specimen. The rolled magnesium alloy exhibited higher strength than the annealed specimen at room temperature, while the elongation was almost the same as the annealed specimen. Also, a large elongation of 501% was obtained at 573 K for the rolled specimen. A smaller grain size of 9.6 μm was obtained due to dynamic recrystallization during the tensile test at 573 K.
研究了Mg-5.5质量%Zn-0.6质量%Zr合金轧制试样的显微组织和拉伸性能。轧制试样的晶粒尺寸较小,为15.9 μm。轧制镁合金在室温下的强度高于退火镁合金,而伸长率与退火镁合金基本相同。在573 K时,轧制试样的伸长率达到了501%。在573 K的拉伸过程中,由于动态再结晶,晶粒尺寸较小,为9.6 μm。
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引用次数: 9
Thickness measurement of amorphous SiO2 by EELS and electron holography 用EELS和电子全息法测量非晶SiO2的厚度
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1129
Chang-Woo Lee, Y. Ikematsu, D. Shindo
The accuracy of electron energy-loss spectroscopy (EELS) and electron holography on thickness measurement of amorphous SiO 2 was discussed. Since the SiO 2 particles investigated in this work have a spherical shape, local thickness along the incident electron beam can easily be evaluated. Thus, from EELS, the mean free path of inelastic scattering was determined to be 178 ± 4nm at 200kV. It is considered that thickness measurement is limited to amorphous SiO 2 film thicker than about 20 nm with EELS. On the other hand, from phase shift in the electron hologram, the mean inner potential was evaluated to be 11.5 ± 0.3 V. It is suggested that the thickness measurement is possible up to a few nanometers with electron holography. Thus, it is pointed out that the accurate thickness measurement is possible for a thinner region wilt electron holography than EELS.
讨论了电子能量损失谱(EELS)和电子全息法测量非晶二氧化硅厚度的准确性。由于在这项工作中所研究的二氧化硅粒子具有球形,因此可以很容易地评估入射电子束的局部厚度。因此,从EELS中确定了在200kV下非弹性散射的平均自由程为178±4nm。认为用EELS测量厚度仅限于厚度大于20 nm的非晶sio2薄膜。另一方面,从电子全息图的相移来看,平均内电位为11.5±0.3 V。认为利用电子全息技术可以测量到几纳米的厚度。从而指出,电子全息术在比EELS更薄的区域可以精确测量厚度。
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引用次数: 4
Magnetic Domain Structures of Nd-Fe-B based Permanent Magnets Studied by Electron Holography and Lorentz Microscopy 用电子全息和洛伦兹显微镜研究Nd-Fe-B基永磁体的磁畴结构
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1132
Young-Gil Park, D. Shindo, M. Okada
Magnetic domain structures of Nd 2 Fe 14 B based permanent magnets were studied by using electron holography and Lorentz microscopy. In a sintered Nd 2 Fe 14 B permanent magnet, a domain wall width of a 180° magnetic domain was evaluated to be 5.1 nm by Lorentz microscopy, while the magnetization distribution in the 90° magnetic domain was clarified by electron holography. In overquenched Nd 2 Fe 14 B permanent magnets, the sharp difference in the magnetization distribution due to the heat treatment was clarified by electron holography. The different magnetic properties of the magnets was directly attributed to the difference of the magnetization distribution.
采用电子全息和洛伦兹显微技术研究了nd2fe14b基永磁体的磁畴结构。在烧结nd2fe14b永磁体中,用洛伦兹显微镜测定了180°磁畴的畴壁宽为5.1 nm,用电子全息术测定了90°磁畴的磁化分布。在过淬火的nd2fe14b永磁体中,用电子全息术澄清了热处理引起的磁化分布的明显差异。磁体磁性能的不同直接归因于磁化分布的不同。
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引用次数: 4
An MD Simulation of the Atomistic Processes of Movement and Agglomeration of Vacancy Clusters in Nickel at 1300 K 1300k下镍中空位团簇运动和团聚原子过程的MD模拟
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1168
R. Nishiguchi, Y. Shimomura
Computer simulations of molecular dynamics (MD) were used to study the clustering of vacancies in nickel. This was carried out in order to investigate the atomistic processes of vacancy agglomeration in irradiated metals. Simulations were carried out using DYNAMO ver. 8.5 code, by implementing the potential of the embedded atom method (EAM). Firstly, a perfect crystal was thermalized at 1300, 1500, 1700 and 1800 K. Next, four triangular vacancy clusters whose sizes were 10 were introduced on the (111) planes at randomly selected positions. MD simulations were performed using a very small time step of outputs to observe the atomistic processes of the movement of each vacancy. It was found that the vacancy clusters moved and agglomerated whilst maintaining the individual clusters. Thus, a vacancy did not evaporate from a cluster to be absorbed into a larger cluster. There were three different processes in the agglomeration of the vacancy clusters. One was an atom caged in a tetrahedral structure of vacancies moved to another lattice site. Another was an atom caged in a octahedral structure of vacancies moved to another lattice site. The other was an atom moved along a (110) row.
采用分子动力学(MD)的计算机模拟方法研究了镍中空位的聚类。这是为了研究辐照金属中空位团聚的原子过程。利用DYNAMO软件进行了仿真。8.5代码,通过实现潜在的嵌入原子方法(EAM)。首先,在1300、1500、1700和1800 K的温度下对完美晶体进行加热。接下来,在(111)平面上随机选择位置引入四个大小为10的三角形空位簇。采用非常小的输出时间步长进行MD模拟,以观察每个空位的原子运动过程。研究发现,空位团簇在保持单个团簇的同时移动和聚集。因此,空缺不会从一个团团中蒸发而被吸收到一个更大的团团中。空位团簇的聚集有三种不同的过程。一种是将一个原子笼在四面体的空位结构中,移动到另一个晶格位置。另一种是将一个原子笼在空位的八面体结构中,移动到另一个晶格位置。另一种是原子沿(110)行移动。
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引用次数: 1
Phase equilibria and amorphous phase formation in the Ni-Nb-P ternary alloy system Ni-Nb-P三元合金体系的相平衡与非晶相形成
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1232
M. Lee, S. Yi, D. Kim
Liquidus projections in the Ni-rich comer of the Ni-Nb-P ternary system have been studied through the analysis of as-cast microstructures. A peritectic reaction involving Ni 9 Nb 2 P and Ni 2 NbP is proposed: L + Ni 9 Nb 2 P → Ni 2 NbP, The slopes of liquidus surface boundaries between Ni solid solution (Ni ss ), Ni 3 P, Ni 9 Nb 2 P and Ni 2 NbP along with two invariant reactions are proposed: L + Ni ss → Ni 3 P + Ni 9 Nb 2 P and L → Ni 3 P + Ni 9 Nb 2 P + Ni 2 NbP. A ternary amorphous alloy with a large undercooled region before crystallization (ΔT x = 15°C) is developed demonstrating the importance of phase equilibria in designing the alloy with high glass forming ability.
通过铸态显微组织分析,研究了Ni-Nb-P三元体系富镍角的液相投影。包晶反应涉及倪9注2 P和倪2提出了平衡:L +倪9注2 P→倪2平衡,山坡上的液相线表面界限镍固溶体(Ni ss),倪3 P,倪9注2 P和倪2平衡两个不变的反应提出了:L +倪党卫军→倪3 P +倪9注2 P和L→倪3 P +倪9注2 P +倪2平衡。制备了一种具有较大过冷区(ΔT x = 15℃)的三元非晶合金,证明了相平衡在设计高玻璃化能力合金中的重要性。
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引用次数: 0
Electromagnetic Microwave Absorption of α-Fe Microstructure Produced by Disproportionation Reaction of Sm 2 Fe 7 Compound sm2fe7化合物歧化反应产生α-Fe微观结构的电磁微波吸收
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1172
T. Maeda, S. Sugimoto, T. Kagotani, D. Book, M. Homma, H. Ota, Y. Houjou
The electromagnetic wave absorption properties of a magnetic powder with a fine α-Fe structure, produced by the disproportionation of Sm 2 Fe 17 , were investigated in the GHz frequency range. A fine, sub-micrometre α-Fe/SmH 2 structure was formed from the Sm 2 Fe 17 compound after disproportionation in a hydrogen atmosphere. The grain size of the α-Fe phase was calculated by X-ray diffraction line broadening analysis, to he about 30nm. In this way, a magnetic powder with a line structure of α-Fe was obtained. This powder was then heated in air in order to oxidize the SmH 2 , with the result that an α-Fe/SmO two-phase microstructure was obtained. Toroidally shaped epoxyresin composites were made from this powder, and the microwave absorption properties of these samples were measured. As a result, the disproportionated samples (heated in hydrogen at 873 K for 1 hour, milled for 30 minutes and oxidized at 473 K for 2 hours in the air) exhibited electromagnetic wave absorption (R.L. < -20 dB) in the frequency range 0.75 to 1.3 GHz, for absorber thicknesses ranging from 12.5 to 7.5 mm, respectively. An undisproportionated sample did not show any electromagnetic wave absorption in this frequency range.
研究了sm2fe17歧化法制备的细α-Fe结构磁粉在GHz频率范围内的电磁波吸收特性。sm2fe17化合物在氢气气氛中歧化后形成了精细的亚微米α-Fe/ smh2结构。通过x射线衍射线展宽分析计算α-Fe相的晶粒尺寸约为30nm。通过这种方法,得到了具有α-Fe线状结构的磁粉。将该粉末在空气中加热以氧化smh2,得到α-Fe/SmO两相组织。用该粉末制备了环形环氧树脂复合材料,并对其微波吸收性能进行了测试。结果表明,歧化样品(在873 K的氢气中加热1小时,研磨30分钟,在473 K的空气中氧化2小时)在0.75至1.3 GHz的频率范围内表现出电磁波吸收(R.L. < -20 dB),吸收器厚度分别为12.5至7.5 mm。未歧化的样品在这个频率范围内没有电磁波吸收。
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引用次数: 18
Microstructure and Mechanical Properties of MoSi2/Nb Composites Made by MA-Pulse Discharge Sintering ma脉冲放电烧结MoSi2/Nb复合材料的组织与力学性能
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1268
Y. Park, H. Hashimoto, Y. Hahn
MoSi 2 is one of the most promising candidates for high-temperature structural materials because of its high melting point and excellent oxidation resistance. However, the low room temperature fracture toughness and ductility, etc., still remain as major disadvantages to potential high temperature structural applications. MoSi 2 composites containing Nb have shown a great improvement in mechanical properties, especially in fracture toughness, over the monolithic MoSi 2 . However, the addition of refractory metals such as Nb or W has not been that acceptable because of the high reactivity of these additions with the MoSi 2 matrix, and the deleterious effect of reducing oxidation resistance and increasing density. Also, Nb reinforced MoSi 2 composites resulted in a penalty with decreasing strength, both at room and elevated temperatures. In the present study, MoSi 2 and MoSi 2 -Nb powders with a fine grain size were prepared by mechanical alloying. In order to retain the fine microstructure in the consolidated samples, pulse discharge sintering was used to consolidate these powders at a lower sintering temperature compared to that of the conventional hot pressing or HIP. The grain size of the consolidated MoSi 2 -10Nb composite was 0.18 to 1.2 μm, which was finer than that of monolithic MoSi 2 , 1.5 to 3.0 μm. The formation of the (MoNb) 5 Si 3 phase was pronounced in the Nb added composites, and this phase seemed to be formed during the sintering process. Both monolithic MoSi 2 and MoSi 2 -10Nb composites from the mechanically alloyed powders showed a significant amount of plastic deformation in a bending test at 1073 K. The yield stress of the Nb added alloy was higher than that of the monolithic MoSi 2 , which may be caused by the refinement of the microstructure.
MoSi 2因其高熔点和优异的抗氧化性,是高温结构材料中最有前途的候选材料之一。然而,低温断裂韧性和延展性等仍然是潜在的高温结构应用的主要缺点。与单片MoSi 2相比,含Nb的MoSi 2复合材料的力学性能,特别是断裂韧性有了很大的提高。然而,由于这些添加物与mosi2基体的高反应性,以及降低抗氧化性和增加密度的有害影响,诸如Nb或W等难熔金属的添加并不那么可接受。此外,Nb增强mosi2复合材料在室温和高温下都会导致强度下降。本文采用机械合金化法制备了晶粒较细的mosi2和mosi2 -Nb粉末。为了保持固结样品的微观结构,采用脉冲放电烧结方法在较低的烧结温度下固结这些粉末,而不是传统的热压或HIP。固结MoSi 2 -10Nb复合材料的晶粒尺寸为0.18 ~ 1.2 μm,比单片MoSi 2的晶粒尺寸(1.5 ~ 3.0 μm)细。添加Nb的复合材料明显形成(MoNb) 5si3相,该相似乎是在烧结过程中形成的。在1073 K的弯曲试验中,机械合金化粉末制备的单片MoSi 2和MoSi 2 -10Nb复合材料均表现出明显的塑性变形。添加Nb合金的屈服应力高于单片mosi2合金,这可能是由于微观组织的细化所致。
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引用次数: 6
Unique Shapes of Micro-Pits Formed in an Al-Pd-Mn Icosahedral Quasicrystal by Anodic Etching 阳极蚀刻Al-Pd-Mn二十面体准晶体中独特形状的微凹坑
Pub Date : 2000-09-20 DOI: 10.2320/MATERTRANS1989.41.1221
Kaichi Saito, S. Sugawara, Tomonori Sato, J. Guo, A. Tsai
The shapes of micro-pits formed in an Al-Pd-Mn icosahedral quasicrystal have been examined by alternating sequence of electrochemical etching and scanning electron microscopy (SEM) observations. Anodic etching was executed on fivefold and twofold surfaces of the single-quasicrystal. Prolonged anodic etching in a solution of CH 3 OH + HNO 3 (volume ratio 3 : 1) followed by SEM observations has revealed that two different types of micro-pits, i.e. pre-existing micro-voids and electrochemical etch-pits, develop into the same regular shape. The micro-pits develop into a pentagonal pyramid on the fivefold surface, and a flat-bottomed rhombic pyramid on the twofold surface. It is shown that these two polyhedral etch-figures correspond to two different sections of a regular rhombic triacontahedron.
采用电化学刻蚀和扫描电镜交替观察的方法研究了Al-Pd-Mn二十面体准晶体中微凹坑的形状。在单准晶的五面和两面进行阳极刻蚀。在ch3oh + hno3(体积比为3:1)溶液中进行长时间的阳极腐蚀,SEM观察发现两种不同类型的微坑,即预先存在的微孔和电化学腐蚀坑,发展成相同的规则形状。微坑在五重表面发育为五角形金字塔,在两重表面发育为平底菱形金字塔。结果表明,这两个多面体蚀刻图形对应于正菱形三面体的两个不同截面。
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引用次数: 3
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Materials Transactions Jim
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