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高压下三元层状氮化物M_(2)AlN(M=Ti,Zr)的结构、力学、电子及光学性质的第一性原理研究
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作者 吴礼海 于普良 钟敏 《人工晶体学报》 CAS 北大核心 2024年第4期656-668,共13页
本文采用基于密度泛函理论的第一性原理计算方法,优化了三元层状氮化物M_(2)AlN(M=Ti,Zr)的几何结构,研究了高压下三元层状氮化物M_(2)AlN(M=Ti,Zr)的结构、力学、电子及光学性质。结构和力学性质研究表明,Ti_(2)AlN的压缩性优于Zr_(2)A... 本文采用基于密度泛函理论的第一性原理计算方法,优化了三元层状氮化物M_(2)AlN(M=Ti,Zr)的几何结构,研究了高压下三元层状氮化物M_(2)AlN(M=Ti,Zr)的结构、力学、电子及光学性质。结构和力学性质研究表明,Ti_(2)AlN的压缩性优于Zr_(2)AlN,弹性常数证实了高压下的力学稳定性。延展性和弹性各向异性随着压力的增加而增强,Zr_(2)AlN对压力更加敏感。电子性质研究表明,两种三元层状氮化物均表现为金属性,共价性随着压力的增加而增强。Ti_(2)AlN和Zr_(2)AlN的多晶体和不同轴上的静态介电函数ε_(1)(0)以及静态折射率n(0)表明光学性质存在较低的各向异性,两种三层状氮化物都表现出较强的光吸收能力和反射率。本文的理论研究阐述了高压下三元层状氮化物Ti_(2)AlN和Zr 2AlN的相关性质,为今后的实验研究提供了比较可靠的理论依据。 展开更多
关键词 Ti_(2)AlN和Zr_(2)AlN 密度泛函理论 第一性原理 力学性质 电子结构 光学性质
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优选粉末冶金工艺制备Ti_2AlN三元化合物陶瓷 被引量:2
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作者 王蕾 陈楠 《工业技术创新》 2017年第3期100-101,105,共3页
探寻制备Ti_2AlN三元化合物陶瓷的最优粉末冶金工艺。选用氩气作为保护气体,分别采用无压烧结、真空热压烧结和放电等离子烧结这三种最为常见工艺,通过TiN、Ti、Al混合粉制备Ti_2AlN三元化合物陶瓷,进行物相分析、形貌观察和密度测试。... 探寻制备Ti_2AlN三元化合物陶瓷的最优粉末冶金工艺。选用氩气作为保护气体,分别采用无压烧结、真空热压烧结和放电等离子烧结这三种最为常见工艺,通过TiN、Ti、Al混合粉制备Ti_2AlN三元化合物陶瓷,进行物相分析、形貌观察和密度测试。三种工艺制备所得Ti_2AlN相含量分别为86%、98.5%、99.2%;相对密度分别为2.891g/cm^3、4.15g/cm^3和4.237g/cm^3;放电等离子烧结试样晶粒发育、分布、致密性等形貌特征最好。放电等离子烧结是目前三元化合物陶瓷Ti_2AlN制备的最佳工艺。 展开更多
关键词 Ti2AlN 粉末冶金工艺 无压烧结 真空热压烧结 放电等离子烧结 三元化合物陶瓷
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连续网状结构Ti_(2)AlN/TiAl复合材料的制备及力学性能 被引量:2
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作者 蒋闽晋 孙红亮 +3 位作者 刘瑞 蒋小松 张亚丽 孙大明 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2023年第5期1437-1451,共15页
采用高温气体渗氮法将氮引入TiAl预合金粉末中,然后采用放电等离子烧结法制备具有连续网络增强相结构的Ti_(2)AlN/TiAl复合材料。结果表明,复合材料的硬度明显高于TiAl合金的硬度,并随着氮化时间的增加而增加。该强化效果是粉末渗氮引... 采用高温气体渗氮法将氮引入TiAl预合金粉末中,然后采用放电等离子烧结法制备具有连续网络增强相结构的Ti_(2)AlN/TiAl复合材料。结果表明,复合材料的硬度明显高于TiAl合金的硬度,并随着氮化时间的增加而增加。该强化效果是粉末渗氮引起的固溶体强化、具有高硬度和弹性模量的连续网状Ti_(2)AlN相以及位错密度增加协同作用的结果。同时,与TiAl合金相比,Ti_(2)AlN/TiAl复合材料的抗压强度降低,这与氮化后直接形成的一部分Ti_(2)AlN颗粒和过多的增强相含量有关。 展开更多
关键词 预合金粉末 渗氮 Ti_(2)AlN/TiAl复合材料 连续网状结构 显微组织 力学性能
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TC4表面激光熔覆Ti-Al-N复合涂层的组织与性能 被引量:8
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作者 游川川 肖华强 +1 位作者 任丽蓉 赵欣鑫 《激光技术》 CAS CSCD 北大核心 2021年第5期585-589,共5页
为了在TC4钛合金表面开发新型MAX相复合涂层,利用激光熔覆在TC4钛合金表面原位合成了含Ti_(2)AlN MAX相的Ti-Al-N复合涂层,分析了涂层的组织结构特征及硬度分布,研究了复合涂层的原位合成机理。结果表明,不同物质的量比粉体熔覆后的涂... 为了在TC4钛合金表面开发新型MAX相复合涂层,利用激光熔覆在TC4钛合金表面原位合成了含Ti_(2)AlN MAX相的Ti-Al-N复合涂层,分析了涂层的组织结构特征及硬度分布,研究了复合涂层的原位合成机理。结果表明,不同物质的量比粉体熔覆后的涂层与基体呈现良好的冶金结合,涂层由TiAl基体、Ti_(2)AlN MAX相和TiN树枝晶组成,涂层平均硬度约为基体的2倍以上,涂层厚度在1mm~1.6mm之间;添加少量Al粉能够促进熔池中TiN和TiAl的反应,从而显著提高了涂层中Ti_(2)AlN MAX相的含量。此研究结果在明晰MAX相原位合成机理的基础上,对采用激光熔覆技术制备MAX相复合涂层具有重要意义。 展开更多
关键词 激光技术 TC4钛合金 激光熔覆 合成机理 Ti_(2)AlN MAX相
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Fabrication and performance of 3D co-continuous magnesium composites reinforced with Ti_(2)AlN_(x) MAX phase 被引量:3
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作者 Wantong Chen Wenbo Yu +4 位作者 Pengcheng Zhang Xufeng Pi Chaosheng Ma Guozheng Ma Lin Zhang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2022年第7期1406-1412,共7页
Magnesium composites reinforced by N-deficient Ti_(2)AlN MAX phase were first fabricated by non-pressure infiltration of Mg into three-dimensional(3D)co-continuous porous Ti_(2)AlN_(x)(x=0.9,1.0)preforms.The relations... Magnesium composites reinforced by N-deficient Ti_(2)AlN MAX phase were first fabricated by non-pressure infiltration of Mg into three-dimensional(3D)co-continuous porous Ti_(2)AlN_(x)(x=0.9,1.0)preforms.The relationship between their mechanical properties and micro-structure is discussed with the assessment of 2D and 3D characterization.X-ray diffraction(XRD)and scanning electron microscopy detected no impurities.The 3D reconstruction shows that the uniformly distributed pores in Ti_(2)AlN_(x) preforms are interconnected,which act as infiltra-tion tunnels for the melt Mg.The compressive yield strength and microhardness of Ti_(2)AlN_(0.9)/Mg are 353 MPa and 1.12 GPa,respectively,which are 8.55%and 6.67%lower than those of Ti_(2)AlN/Mg,respectively.The typical delamination and kink band occurred in Ti_(2)AlN_(x) under compressive and Vickers hardness(V_(H))tests.Owing to the continuous skeleton structure and strong interfacial bonding strength,the crack ini-tiated in Ti_(2)AlN_(x) was blocked by the plastic Mg matrix.This suggests the possibility of regulating the mechanical performance of Ti_(2)AlN/Mg composites by controlling the N vacancy and the hierarchical structure of Ti_(2)AlN skeleton. 展开更多
关键词 Ti_(2)AlN magnesium matrix composites co-continuous structure Nvacancy
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氮气流量及后续热处理对多弧离子镀制备Ti2AlN涂层的影响规律 被引量:3
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作者 杨英 董瑜亮 +3 位作者 高立军 宫骏 姜辛 孙超 《中国腐蚀与防护学报》 CAS CSCD 北大核心 2012年第1期1-6,共6页
利用电弧离子镀技术在1Cr18Ni9Ti基材上低温沉积Ti-Al-N涂层,研究氮气流量及热处理工艺对涂层微观组织结构的影响。结果表明,沉积态涂层中不含三元层状陶瓷Ti_2AlN MAX相,可能含有Ti_3AlN(反钙钛矿结构)、TiN、α-Ti、fcc-Al及Ti_xAl_y... 利用电弧离子镀技术在1Cr18Ni9Ti基材上低温沉积Ti-Al-N涂层,研究氮气流量及热处理工艺对涂层微观组织结构的影响。结果表明,沉积态涂层中不含三元层状陶瓷Ti_2AlN MAX相,可能含有Ti_3AlN(反钙钛矿结构)、TiN、α-Ti、fcc-Al及Ti_xAl_y金属间化合物等。涂层经退火后在一定条件下可以形成Ti_2AlN。涂层中的N元素含量及退火温度对Ti_2AlN的形成起到重要作用。N元素含量过多不利于Ti_2AlN的形成;提高退火温度可以促进Ti_2AlN的形成。透射电镜(TEM)分析结果表明,退火过程中Ti_2AlN的形成伴随着涂层微观组织结构的转变,从明显的层状结构转变为细小的等轴晶结构。 展开更多
关键词 电弧离子镀 Ti-A1-N涂层 ti_2aln MAX相 微观结构
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Efficient and cost-effective method to synthesize highly purified Ti_(4)AlN_(3) and Ti_(2)AlN 被引量:4
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作者 Muhammad Faraz Ud Din Chenhui Yang +4 位作者 Yi Tang* Yapeng Tian Yangyang Luo Yutao Wu Wenxiu Que 《Journal of Advanced Dielectrics》 CAS 2019年第1期55-58,共4页
Nitrides MAX have attracted ever-growing interest owing to its unique metallic and ceramic characteristics and properties.Here,we report on the synthesis of highly purified Ti_(2)AlN and Ti_(4)AlN_(3) powders from Ti,... Nitrides MAX have attracted ever-growing interest owing to its unique metallic and ceramic characteristics and properties.Here,we report on the synthesis of highly purified Ti_(2)AlN and Ti_(4)AlN_(3) powders from Ti,Al and TiN powders by a facile atmosphere sintering method.The obtained nitrides show highly pure phase and excellent layered structure.Except for the composition difference of raw materials,both the nitrides can be sintered and obtained by same sintering temperature and holding time,which thus makes less processing time and less usage of synthesis parameters as compared to previously synthesis methods.To our knowledge,present work is one of the few reports on synthesis of Ti_(4)AlN_(3) and Ti_(2)AlN using atmosphere sintering method.Furthermore,the lattice changes of the layered structure of Ti_(2)AlX(X/C=N)were studied by changing the composition of X position from the synthesis of Ti_(2)AlCN and Ti_(2)AlC,and the optimal formulation and synthesis mechanism of Ti_(4)AlN_(3) were also studied. 展开更多
关键词 Ti_(4)AlN_(3) Ti_(2)AlN atmosphere sintering method nitrides MAX
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Mechanical properties and microstructure of in situ formed Ti_(2)AlN/TiAl(WMS)composites 被引量:1
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作者 Wan-Liang Liang Rui Hu +2 位作者 Yi-Wen Liu Tie-Bang Zhang Jin-Shan Li 《Rare Metals》 SCIE EI CAS CSCD 2021年第1期190-194,共5页
The Ti_(2)AlN-reinforced TiAl(WMS)composites with different contents of Ti_(2)AlN were prepared by an in situ method of reactive arc-melting technique.According to the results of X-ray diffraction(XRD)analysis,the Ti_... The Ti_(2)AlN-reinforced TiAl(WMS)composites with different contents of Ti_(2)AlN were prepared by an in situ method of reactive arc-melting technique.According to the results of X-ray diffraction(XRD)analysis,the Ti_(2)AlNreinforced WMS composites consist ofγ-TiAl,α_(2)-Ti_(3)Al,and Ti_(2)AlN phases.Microstructure analysis results indicate that Ti_(2)AlN reinforcements with rod-like in shape form in the WMS matrix with aα_(2)/γlamellar structure containing some bulk y phases.With volume fraction of Ti_(2)AlN increasing,the grain size of the composites decreases significantly and the elasticity modulus(E)increases.The compressive strength and compressive fracture strain of the composite with 3 vol%Ti_(2)AlN have a maximum value of 1,654 MPa and 22.5%,respectively,which are approximately improved by 45.84%and 29.31%,respectively,compared with that of the unreinforced WMS alloy. 展开更多
关键词 Ti_(2)AlN/TiAl(WMS)composites Reactive arc-melting MICROSTRUCTURE Compressive properties
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