摘要
以ZrN和ZrH_(2)粉末为原料,采用反应放电等离子烧结法制备了具有不同氮空位浓度的ZrN_(1−x)(x=0~0.3)陶瓷。研究发现,随着氮空位浓度从0增大至0.3,1600℃烧结所得样品的相对密度从90.5%提高至99.6%,ZrO_(2)第二相逐渐固溶进入基体,基体相的氧含量从0.03 at.%升高至10.04 at.%,平均晶粒尺寸从3.12μm增大至33.13μm,晶格常数呈现先增大后减小的趋势,ZrN_(1.0)、ZrN_(0.9)、ZrN_(0.8)、ZrN_(0.7)的晶格常数分别为4.5769Å、4.5806Å、4.5834Å、4.5799Å。材料的杨氏模量随着氮空位浓度增大而逐渐降低,致密度相近的ZrN_(1.0)-1700与ZrN_(0.7)-1600陶瓷的杨氏模量分别为365 GPa和300 GPa。材料的晶格常数和杨氏模量的实测结果与第一原理计算结果的变化趋势一致。
ZrN_(1−x)(x=0–0.3)ceramics with different nitrogen vacancy concentrations were prepared by using reactive spark plasma sintering,with ZrN and ZrH2 powders as raw materials.With increasing concentration of nitrogen vacancy from 0 to 0.3,relative density of the samples sintered at 1600℃increased from 90.5%to 99.6%,while the second phase of ZrO_(2)gradually dissolved into the matrix,the oxygen content of the matrix phase increased from 0.03 at.%to 10.04 at.%,the average grain size increased from 3.12μm to 33.13μm and the lattice constant first increased and then decreased.The lattice constants of ZrN_(1.0),ZrN_(0.9),ZrN_(0.8)and ZrN_(0.7)are 4.5769Å,4.5806Å,4.5834Åand 4.5799Å,respectively.The Young’s modulus of ZrN_(1−x)decreased gradually with increasing concentration of nitrogen vacancy,while the Young’s modulus of ZrN_(1.0)-1700 and ZrN_(0.7)-1600 with similar relative density were 365 GPa and 300 GPa,respectively.The experimental lattice constant and Young’s modulus are consistent with the first-principles calculations results.
作者
罗旭斌
刘吉轩
冀冬冬
肖勇
韩志林
梁拥成
张国军
LUO Xubin;LIU Jixuan;JI Dongdong;XIAO Yong;HAN Zhilin;LIANG Yongcheng;ZHANG Guojun(State Key Laboratory for Modification of Chemical Fibers and Polymer Materials,Institute of Functional Materials,College of Materials Science and Engineering,Donghua University,Shanghai 201600,China;College of Science,Donghua University,Shanghai 201600,China)
出处
《陶瓷学报》
CAS
北大核心
2022年第4期629-636,共8页
Journal of Ceramics
基金
国家自然科学基金(51872045,52032001)。
关键词
氮化锆陶瓷
氮空位浓度
力学性能
第一性原理计算
ZrN ceramics
nitrogen-vacancy concentration
mechanical properties
first-principles calculations
