无压烧结下 ZrO2 和 Si3N4 晶粒界面的演变增强 Si3N4 陶瓷,Journal of the American Ceramic Society

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无压烧结下 ZrO2 和 Si3N4 晶粒界面的演变增强 Si3N4 陶瓷
Journal of the American Ceramic Society ( IF 3.5 ) Pub Date : 2023-06-15 , DOI: 10.1111/jace.19263
Chunxi Luo ₁ , Neng Li ₁ , Tengfei Deng ₁

Affiliation

氮化硅（Si ₃ N ₄）作为结构陶瓷材料，其强度和韧性是损伤容限和可靠性的决定性特征。本文通过Si ₃ N ₄和ZrO ₂之间晶粒界面的演化来增强Si ₃ N ₄陶瓷，其弯曲强度和断裂韧性分别达到982.8 MPa和9.81 MPa·m ^1/2。通过第一原理分子动力学模拟和实验研究了ZrO ₂和Si ₃ N ₄颗粒的界面演化。Si ₃ N ₄ /ZrO通过高分辨率透射电子显微镜观察到_{2个界面结构，包括：(i)玻璃相膜，(ii)Zr}₃ N ₄膜。这里报道的第一原理分子动力学模拟提供了界面结构形成机制的原子级描述。形成Si-O键和Zr-N键以提供Si ₃ N ₄ /ZrO ₂界面键。此外，在烧结过程中形成Si ₃ N ₄和ZrO ₂之间的嵌入状复合结构，可以偏转裂纹并导致断裂能增加。由于Si ₃ N的强度差异_参照图4和ZrO _{2 ，裂纹倾向于穿过ZrO}₂晶粒传播并且当其遇到棒状Si ₃ N ₄晶粒时发生偏转。同时，ZrO _{2还起到细化β-Si}₃ N ₄晶粒尺寸和降低玻璃相含量的作用。

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Enhancement of Si3N4 ceramics via evolution of grain interface between ZrO2 and Si3N4 under pressureless sintering

Silicon nitride (Si₃N₄) as a structural ceramic material, its strength, and toughness are the decisive characteristics of damage tolerance and reliability. In this work, Si₃N₄ ceramics is enhanced via evolution of grain interface between Si₃N₄ and ZrO₂, which bending strength and fracture toughness reached 982.8 MPa and 9.81 MPa·m^1/2, respectively. The interface evolution of the ZrO₂ and Si₃N₄ grains were investigated via both first-principles molecular dynamics simulation and experiment. The Si₃N₄/ZrO₂ interface structure was observed by high-resolution transmission electron microscopy, include: (i) glass phase film, (ii) Zr₃N₄ film. First-principles molecular dynamics simulation reported here provide an atomic-level description of the formation mechanisms of the interface structure. The Si-O bond and Zr-N bond was formed to provide the Si₃N₄/ZrO₂ interface bond. Moreover, the embedded-like composite structure between Si₃N₄ and ZrO₂ was formed during the sintering process, which can deflect cracks and result in an increase in the fracture energy. Due to the strength difference of Si₃N₄ and ZrO₂, cracks tend to propagate through the grains of ZrO₂ and deflects when it encounters the rod-like Si₃N₄ grains. In the same time, the ZrO₂ plays a role with respect to refinement of the β-Si₃N₄ grain size and decrease of the glass phase content.

更新日期：2023-06-15

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