Performance analysis of Mo(Si, Al)2 solid solutions based on valence electron structure

Li, Si; Ma, Chengliang; Hou, Xinghui; Wang, Huili; Shi, Caixin; Guo, Rong; Zhou, Ying

doi:10.1016/j.jallcom.2022.164409

Cited by 4 publications

(2 citation statements)

References 42 publications

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“…Note that C 33 for both doped and undoped systems is higher than C 11 , indicating greater resistance to the deformation along the caxis compared to the a-axis. This observation highlights the strong bonding of the Mo-Si bonds in the c-axis direction [29]. Calculated data demonstrate that the elastic constants of the non-zero matrix elements (except for C 11 ) increase with Nb addition and decrease with W addition.…”

Section: Results and Analysismentioning

confidence: 75%

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi₂ coatings fabricated via arc cladding

Wang,

Sun,

Zhang

et al. 2023

Mater. Res. Express

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MoSi2 is one of the most promising refractory metal silicide materials, but its further use as a structural material is limited by its drawbacks such as poor room-temperature toughness and low high-temperature strength. The work performed a comprehensive investigation combining first-principles calculations and arc cladding experiments to explore the effects of Nb and W doping on the mechanical properties and electronic structure of MoSi2 coatings. The first-principles calculations revealed that Nb addition improved the B/G value and Poisson's ratio of MoSi2, indicating enhanced ductility. W addition yields the opposite effect and led to a higher elastic modulus and improved hardness. Experimental results demonstrated that the arc-cladding MoSi2 coating mainly consisted of MoSi2 and Mo5Si3 phases with a dendritic microstructure. Upon doping with Nb and W, additional t-(Mo,Nb)Si2 and t-(Mo,W)Si2 phases were formed, which resulted in a denser and finer microstructure. Nb addition contributed to the solid-solution toughening of the coating, while W addition enhanced hardness but reduced toughness. Remarkably, the synergistic alloying of Nb and W significantly increased the hardness and fracture toughness of the coating by 30.7 and 70.7%, respectively, compared to pure MoSi2. The strengthening mechanism of the coating was attributed to solid-solution softening and fine-grain strengthening, while the crack extension mechanism involved the crack deflection and bridging. Furthermore, the coatings doped with 2% Nb and 4% W exhibited the lowest wear weight loss and superior wear resistance. The dominant wear mechanisms were oxidation wear and abrasive wear.

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Section: Results and Analysismentioning

confidence: 75%

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi₂ coatings fabricated via arc cladding

Wang,

Sun,

Zhang

et al. 2023

Mater. Res. Express

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“…Развитие современной промышленности напрямую связано с разработкой новых материалов с улучшенными характеристиками. Перспективным материалом является дисилицид молибдена, обладающий выдающимися характеристиками, такими как высокая температура плавления (2020°C), умеренная плотность (6.24 г/см 3 ), твердость 12-14 ГПа, высокая жаростойкость и термическая стабильность [1][2][3][4][5][6]. Сплавы на основе дисилицида молибдена обладают ограниченными вязкостью разрушения и сопротивлением ползучести [7,8].…”

Section: Introductionunclassified

Исследование структуры и свойств покрытий Mo-(Y)-Zr-Si-B, полученных методом магнетронного распыления

Сытченко¹,

Vakhrushev²,

Кирюханцев-Корнеев³

2022

8th International Congress on Energy Fluxes and Radiation Effects

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В работе проведены исследование влияния добавки Y на структуру и свойства покрытий Mo-Zr-Si-B, полученных магнетронным распылением мозаичной мишени ((90%MoSi2 + 10%MoB) + 5%ZrB2)/Y. Установлено, что легирование иттрием приводит к снижению скорости роста в 1.2–1.7 раза. Размер кристаллитов h-MoSi2 уменьшался в 1.5–7.5 раза с увеличением концентрации Y от 0 до 4.8 ат.%. Максимальной твердостью 23 ГПа обладали базовое покрытие и покрытие, полученное с использованием 1 сегмента Y. Использование 2 и 3-х сегментов иттрия привело снижению Н на 9–14%. Введение иттрия положительно влияло на жаростойкость покрытий при температуре 1000°C.

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Valence electron structure and properties of LiTPO4/C (T = Mn, Fe, Co, Ni) lithium-ion batteries

Yang,

Guo,

Zhang

et al. 2024

Journal of Energy Storage

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Performance analysis of Mo(Si, Al)2 solid solutions based on valence electron structure

Cited by 4 publications

References 42 publications

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi₂ coatings fabricated via arc cladding

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi₂ coatings fabricated via arc cladding

Исследование структуры и свойств покрытий Mo-(Y)-Zr-Si-B, полученных методом магнетронного распыления

Valence electron structure and properties of LiTPO4/C (T = Mn, Fe, Co, Ni) lithium-ion batteries

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Performance analysis of Mo(Si, Al)2 solid solutions based on valence electron structure

Cited by 4 publications

References 42 publications

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi2 coatings fabricated via arc cladding

Исследование структуры и свойств покрытий Mo-(Y)-Zr-Si-B, полученных методом магнетронного распыления

Valence electron structure and properties of LiTPO4/C (T = Mn, Fe, Co, Ni) lithium-ion batteries

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Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi₂ coatings fabricated via arc cladding

Experimental investigation and first-principles calculations of Nb and W alloying effects on the microstructure and properties of MoSi₂ coatings fabricated via arc cladding