A Family of V-Based Null Matrix Alloys with Atomic and Mesoscopic Homogeneity

Man He, Chen Wang, Hua Yang, Dong-Ying Wu, Jey-Jau Lee, Fangwei Wang*, Maxim Avdeev* and Wang Hay Kan*, 
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Abstract

Since the development of Ti2.08Zr null matrix alloy by Sidhu et al. in 1956, only a handful of new null matrix alloys have been reported over the past 70 years. Most of them are not suitable to be utilized in applications due to the poor chemical/physical stabilities and the presence of strong short-range ordering in the structures. For the first time, a new family of V-based null matrix alloys V1–xMx (M = Al, Nb, Ta, Ni, Fe, Sn, and Mo; x < 0.1 in molar ratio) were synthesized by an arc melting method. The structural and physical properties were systematically evaluated. All of the alloys crystallize into a cubic body center structure with a space group of Imm. Based on the neutron diffraction (ND), X-ray diffraction, and X-ray pair distribution function, the dopants (except Mo) and V atoms were atomically homogeneous and distributed into the 2a sites of Imm. Small angle neutron scattering was used to probe the bulk neutron transparent properties and the possibilities of dopant clustering at the mesoscopic level. These conditions yield a specific feature in which the ND patterns of the alloys have no diffraction peaks. Hard X-ray absorption spectroscopy revealed that the valence states of V remained 0 in all investigated alloys. Nonetheless, a small degree of charge redistribution were observed. The Coulombic energies of configurations of supercells with different degrees of dopants clustering were also computed for comparison. Tensile tests were also conducted to evaluate the mechanical stress and strain properties. The high-temperature oxidation properties were examined by thermogravimetric analysis differential scanning calorimetry. Among the investigated samples, Nb-doped and Ni-doped V-based alloys show superior chemical and mechanical properties, which could be promising to be utilized to develop advanced in situ devices and high-temperature/pressure neutron scattering sample holders for ND and total scattering measurements.

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具有原子和介观均匀性的 V 基空基合金家族
自 1956 年 Sidhu 等人开发出 Ti2.08Zr 空基合金以来,过去 70 年中仅有少数几种新型空基合金被报道。由于化学/物理稳定性较差以及结构中存在较强的短程有序性,它们大多不适合在应用中使用。我们首次采用电弧熔化法合成了一系列新型 V 基空基合金 V1-xMx(M = Al、Nb、Ta、Ni、Fe、Sn 和 Mo;x < 摩尔比为 0.1)。对其结构和物理性质进行了系统评估。所有合金都结晶成立方体中心结构,空间群为 Im3̅m。根据中子衍射(ND)、X 射线衍射和 X 射线对分布函数,掺杂物(除 Mo 外)和 V 原子在原子上是均匀的,并分布在 Im3̅m 的 2a 位点上。小角中子散射被用来探测体中子透明特性以及掺杂剂在介观层面上聚类的可能性。这些条件产生了一个特殊的特征,即合金的 ND 图形没有衍射峰。硬 X 射线吸收光谱显示,在所有研究合金中,V 的价态都保持为 0。尽管如此,还是观察到了少量的电荷再分布。为了进行比较,还计算了不同掺杂程度的超级电池构型的库仑能量。此外,还进行了拉伸试验,以评估机械应力和应变特性。通过热重分析差示扫描量热法检测了高温氧化特性。在所研究的样品中,掺铌和掺镍的 V 基合金显示出优异的化学和机械性能,有望用于开发先进的原位设备和高温/高压中子散射样品架,以进行 ND 和全散射测量。
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期刊介绍: ACS Applied Engineering Materials is an international and interdisciplinary forum devoted to original research covering all aspects of engineered materials complementing the ACS Applied Materials portfolio. Papers that describe theory simulation modeling or machine learning assisted design of materials and that provide new insights into engineering applications are welcomed. The journal also considers experimental research that includes novel methods of preparing characterizing and evaluating new materials designed for timely applications. With its focus on innovative applications ACS Applied Engineering Materials also complements and expands the scope of existing ACS publications that focus on materials science discovery including Biomacromolecules Chemistry of Materials Crystal Growth & Design Industrial & Engineering Chemistry Research Inorganic Chemistry Langmuir and Macromolecules.The scope of ACS Applied Engineering Materials includes high quality research of an applied nature that integrates knowledge in materials science engineering physics mechanics and chemistry.
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