Trends in Bulk Compressibility of Mo 2–x W x BC Solid Solutions
Trends in Bulk Compressibility of Mo 2–x W x BC Solid Solutions
复制标题
Mo 2×W x BC 固体溶液体积压缩率的趋势
DOI：
10.1021/acs.chemmater.1c03501
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发表时间：
2022
影响因子：
8.6
通讯作者：
Sparks, Taylor D.
中科院分区：
文献类型：
--
作者：
Parry, Marcus E.;Hendry, Jackson;Couper, Samantha;Mansouri Tehrani, Aria;Oliynyk, Anton O.;Brgoch, Jakoah;Miyagi, Lowell;Sparks, Taylor D.
Mo2-xWxBC体系是一种具有高硬度同时保持适度延展性的材料。在这项工作中，同步加速器衍射实验在Mo2-xWxBC固溶体上进行，其中x= 0,0.5和0.75，静水压分别为~ 54 GPa， ~ 55 GPa和~ 60 GPa。利用三阶Birch-Murnaghan状态方程拟合所收集的压力-体积数据来评估体积模量K0的变化趋势，发现Mo2BC的K0= 333(9) GPa, Mo1.5W0.5BC的K0= 335(11) GPa, Mo1.25W0.75BC的K0= 343(8) GPa。当Mo被W取代时，ek0似乎略有增加，而计算出的零压单位胞体体积V0则呈现相反的趋势。inv0的减小对应于价电子密度、硬度和k0的增加。观察结果与先前报告的计算结果一致，并将为未来设计具有特殊机械性能的可持续材料提供信息。
The Mo2–xWxBC system is of interest as a material with high hardness while maintaining moderate ductility. In this work, synchrotron diffraction experiments are performed on Mo2–xWxBC solid solutions, wherex= 0, 0.5, and 0.75, upon hydrostatic compression to ∼54 GPa, ∼55 GPa, and ∼60 GPa, respectively. Trends in bulk modulus,K0, are evaluated by fitting collected pressure–volume data with a third-order Birch–Murnaghan equation of state, findingK0= 333(9) GPa for Mo2BC,K0= 335(11) GPa for Mo1.5W0.5BC, andK0= 343(8) GPa for Mo1.25W0.75BC. WhileK0seems to express a slight increase when Mo is substituted by W, calculated zero-pressure unit cell volume,V0, exhibits the opposite trend. The decrease inV0corresponds to an increase in valence electron density, hardness, andK0. Observations align with previously reported computational results and will inform future efforts to design sustainable materials with exceptional mechanical properties.