Atomic structure and formation of CuZrAl bulk metallic glasses and composites
Atomic structure and formation of CuZrAl bulk metallic glasses and composites
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DOI：
10.1016/j.actamat.2015.08.060
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发表时间：
2015-11-01
期刊：
影响因子：
9.4
通讯作者：
Eckert, J.
中科院分区：
文献类型：
--
作者：
Kaban, I.;Jovari, P.;Eckert, J.
采用高能x射线衍射、同位素取代中子衍射、电子衍射和x射线吸收光谱对Cu47.5Zr47.5Al5金属玻璃进行了实验研究。通过反蒙特卡罗和分子动力学模拟模拟了玻璃的原子结构。对七个实验数据集进行RMC建模，实现了Cu47.5Zr47.5Al5金属玻璃的所有偏对分布函数的可靠分离。三元合金的一个特殊结构特征是形成了强Al-Zr键，这被认为决定了它的高粘度和增强的大块玻璃形成。通过对Cu47.5Zr47.5Al5玻璃和Cu10Zr7、CuZr2和CuZr B2晶体结构的局部原子序的分析，阐明了它们的异同，解释了玻璃反玻化相的形成顺序。(C) 2015材料学报Elsevier Ltd.出版。版权所有。
Cu47.5Zr47.5Al5 metallic glass is studied experimentally by high-energy X-ray diffraction, neutron diffraction with isotopic substitution, electron diffraction and X-ray absorption spectroscopy. The atomic structure of the glass is modeled by reverse Monte-Carlo and molecular dynamics simulations. RMC modeling of seven experimental datasets enabled reliable separation of all partial pair distribution functions for Cu47.5Zr47.5Al5 metallic glass. A peculiar structural feature of the ternary alloy is formation of the strong Al-Zr bonds, which are supposed to determine its high viscosity and enhanced bulk glass formation. Analysis of the local atomic order in Cu47.5Zr47.5Al5 glass and Cu10Zr7, CuZr2 and CuZr B2 crystalline structures elucidates their similarities and differences explaining the phase formation sequence by devitrification of the glass. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.