Niobium--tantalum (1/1) | 12059-58-4

• 分子结构分类: 无机化合物 - 均相金属化合物 - 均相过渡金属化合物
• 英文名称: Niobium--tantalum (1/1)
• 英文别名: niobium;tantalum
• CAS: 12059-58-4
• 化学式: Nb₀Ta₀
• 分子量: 97.3085
• InChiKey: RHDUVDHGVHBHCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.01
• 重原子数：
  2
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Niobium--tantalum (1/1) 、 氢气 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Site Occupancies of Hydrogen in Nb Alloyed with Oversized Ta Atoms or Undersized Mo Atoms

  摘要：

  Site occupancies of hydrogen in Nb alloyed with 2 or 5 at. % of oversized Ta atoms have been investigated at room temperature for hydrogen concentrations of 0.01 and 0.029 at the hydrogen-to-metal-atom ratio (C-H = [H]/[M]), Nb0.98Ta0.02H0.01, Nb0.98Ta0.02H0.029, and Nb0.95Ta0.05H0.01, by the channelling method utilizing a nuclear reaction H-1(B-11,alpha)Be-8 with a B-11 beam of about 2 MeV. It has been clearly demonstrated that hydrogen occupies also tetrahedral (T) sites, in addition to the displaced T sites (d-T sites), which were observed at higher hydrogen concentrations in the Nb0.95Ta0.05 alloys. The d-T site is a site displaced from a T site by about 0.25 angstrom towards its nearest neighbour octahedral (O) site. The T site is more favourable, but the concentration of available T sites is limited, and excess H atoms occupy the d-T sites. This site occupancy is different from that in Nb alloyed with similar concentration of undersized Mo atoms, where hydrogen preferentially occupies trapped sites T-tr displaced from T sites attached to Mo atoms by about 0.6 angstrom towards the Mo atoms due to a strong attractive interaction between them, but the concentration of T-tr sites is limited and excess H atoms enter T sites. On the other hand, there exists no such a strong attractive interaction between hydrogen and an oversized Ta atom. With the help of measurements of the half-widths of X-ray reflection lines in Nb-Mo and Nb-Ta alloys, the site occupancy of hydrogen in the Nb-Ta alloys is explained in terms of an effect of lattice distortion, which was induced by alloying with solute atoms, as in the case of the site occupancy in the Nb-Mo alloys at higher Mo concentrations than about 40 at. %. The d-T site is a stable site for hydrogen in a slightly distorted bcc lattice.

  DOI：

  10.1143/jpsj.80.104602
• 作为产物：
  描述：

  铌 、 钽 以 melt 为溶剂， 生成 Niobium--tantalum (1/1)
  参考文献：
  名称：

  通过难熔浓缩合金的原子尺寸失配参数快速评估固溶硬化

  摘要：

  固溶硬化 (SSH) 是提高合金强度的最简单方法之一，因为只有溶质的浓度才重要。最近有人提出，一些浓体心立方 (BCC) 合金中的 SSH 可能由边缘位错主导，这与先前提出的稀 BCC 合金的 SSH 理论不同。在这项研究中，我们通过测量原子尺寸失配和模量失配参数并将它们应用于基于 Labusch 和 Suzuki 的 SSH 模型，研究了 14 种二元耐火浓缩合金 (RCA) 系统中的主要 SSH 机制。有趣的是，我们发现了一个总体趋势，即增加原子尺寸失配参数的部分可以更好地估计测量的 SSH，这是边缘位错介导的 SSH 的一个显着特征。

  DOI：

  10.1016/j.jallcom.2021.161320

文献信息

• Temperature dependence of elastic moduli in a refractory HfNbTaTiZr high-entropy alloy
  作者：G. Laplanche、P. Gadaud、L. Perrière、I. Guillot、J.P. Couzinié

  DOI：10.1016/j.jallcom.2019.05.322

  日期：2019.8

  Therefore, the temperature dependence of its elastic moduli is of prime importance to improve our understanding of the mechanical properties of this refractory alloy. In this study, the alloy was found to be single phase, fully recrystallized with a slight texture along the normal direction after thermomechanical processing at room temperature. Elastic moduli were determined over the temperature range [293 K-1100 K]

  摘要 等原子HfNbTaTiZr固溶体目前被认为是一种模型无序体心立方高熵合金。因此，其弹性模量的温度依赖性对于提高我们对这种耐火合金的机械性能的理解至关重要。在这项研究中，发现该合金是单相，在室温下进行热机械加工后完全再结晶，沿法线方向具有轻微的织构。弹性模量在温度范围 [293 K-1100 K] 内确定。
• Rapid assessment of solid solution hardening via atomic size misfit parameter in refractory concentrated alloys
  作者：Il Hwan Kim、Hyun Seok Oh、Sang Jun Kim、Eun Soo Park

  DOI：10.1016/j.jallcom.2021.161320

  日期：2021.12

  binary refractory concentrated alloy (RCA) systems, by measuring the atomic size misfit and the modulus misfit parameters and applying them to the Labusch and Suzuki SSH-based models. Interestingly, we find a general trend that increasing the portion of the atomic size misfit parameter provides a better estimation of the measured SSH, which is a noticeable feature of the edge dislocation mediated SSH

  固溶硬化 (SSH) 是提高合金强度的最简单方法之一，因为只有溶质的浓度才重要。最近有人提出，一些浓体心立方 (BCC) 合金中的 SSH 可能由边缘位错主导，这与先前提出的稀 BCC 合金的 SSH 理论不同。在这项研究中，我们通过测量原子尺寸失配和模量失配参数并将它们应用于基于 Labusch 和 Suzuki 的 SSH 模型，研究了 14 种二元耐火浓缩合金 (RCA) 系统中的主要 SSH 机制。有趣的是，我们发现了一个总体趋势，即增加原子尺寸失配参数的部分可以更好地估计测量的 SSH，这是边缘位错介导的 SSH 的一个显着特征。
• Site Occupancies of Hydrogen in Nb Alloyed with Oversized Ta Atoms or Undersized Mo Atoms
  作者：Hiroshi Matsuba、Eiichi Yagi、Chika Sugi、Yoshinori Okada、Kazuhiro Hirabayashi、Takashi Iida、Shigetoshi Koike、Tatuya Hayashi、Naota Higami、Yoichi Murakami、Akiko Takebayashi、Toru Yoshida、Takamasa Sugawara、Toetsu Shishido、Kiyoshi Ogiwara

  DOI：10.1143/jpsj.80.104602

  日期：2011.10.15

  Site occupancies of hydrogen in Nb alloyed with 2 or 5 at. % of oversized Ta atoms have been investigated at room temperature for hydrogen concentrations of 0.01 and 0.029 at the hydrogen-to-metal-atom ratio (C-H = [H]/[M]), Nb0.98Ta0.02H0.01, Nb0.98Ta0.02H0.029, and Nb0.95Ta0.05H0.01, by the channelling method utilizing a nuclear reaction H-1(B-11,alpha)Be-8 with a B-11 beam of about 2 MeV. It has been clearly demonstrated that hydrogen occupies also tetrahedral (T) sites, in addition to the displaced T sites (d-T sites), which were observed at higher hydrogen concentrations in the Nb0.95Ta0.05 alloys. The d-T site is a site displaced from a T site by about 0.25 angstrom towards its nearest neighbour octahedral (O) site. The T site is more favourable, but the concentration of available T sites is limited, and excess H atoms occupy the d-T sites. This site occupancy is different from that in Nb alloyed with similar concentration of undersized Mo atoms, where hydrogen preferentially occupies trapped sites T-tr displaced from T sites attached to Mo atoms by about 0.6 angstrom towards the Mo atoms due to a strong attractive interaction between them, but the concentration of T-tr sites is limited and excess H atoms enter T sites. On the other hand, there exists no such a strong attractive interaction between hydrogen and an oversized Ta atom. With the help of measurements of the half-widths of X-ray reflection lines in Nb-Mo and Nb-Ta alloys, the site occupancy of hydrogen in the Nb-Ta alloys is explained in terms of an effect of lattice distortion, which was induced by alloying with solute atoms, as in the case of the site occupancy in the Nb-Mo alloys at higher Mo concentrations than about 40 at. %. The d-T site is a stable site for hydrogen in a slightly distorted bcc lattice.