,First principles study of ceramic materials (IVB group carbides) under ultrafast laser irradiation

来源 :中国物理B(英文版) | 被引量 : 0次 | 上传用户:jsww2009
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Group IVB carbides have been applied in extreme aerospace environments as hard ceramic coatings;ZrC is being considered as a replacement for SiC in nuclear reactors.Therefore,a thorough understanding of the laser irradiationresponse of group IVB carbides is of clear significance.However,the existing knowledge on the fundamental properties of IVB group carbides is limited and insufficient with regard to both irradiated and non-irradiated characteristics.We investigate the effect of ultrafast laser irradiation on the lattice stability of ceramic materials (IVB group carbides) using the density functional perturbation theory (DFPT).The calculated phonon frequencies of TiC and ZrC at the ground state are in good agreement with previous calculations and experimental values.The phonon frequencies of IVB group carbides are positive,even though the electronic temperature reached 5 eV.Thus,IVB group carbides are more stable under ultrafast laser irradiation,which has greater benefits in nuclear and aeronautical applications compared to metals (W,Na),semimetals (Bi),and semiconductors (Si,SiC).The thermodynamic properties of ZrC are calculated as functions of their lattice temperature at different electronic temperatures.The elastic shear constants of IVB group carbides satisfy the Bo stability criteria at Te =5 eV.In addition,a comparison of the predicted melting temperatures of IVB group carbides,reveal that HfC is better suited for extreme high-temperature environments.
其他文献
The structural phase transition,strength,and texture of vanadium have been studied under nonhydrostatic compression up to 70 GPa using an angle-dispersive radia
啤酒生产是食品工业的重要组成部分.在国民经济中占有重要的地位.啤酒是一神富有营养价值的低度饮料酒,已得到人民群众公认.受到广大消费者的欢迎,因而啤酒产量不论世界各国情况如
Due to their significant roles in the radiation belts dynamics, chorus waves are widely investigated in observations, experiments, and simulations. In this pape
数学源于生活,生活中又充满着数学.学生的数学知识与才能,不仅来自于课堂,还来自于现实生活实际.在课堂教学中,把数学和学生的生活实际衔接起来,让数学贴近生活,使学生感到生
As a representative of small aromatic molecules, triphenylene (TP) has markedly high carrier mobility and is an ideal precursor for building graphene nanostruct
数学教师要像剧作者在剧本中斟词酌句、演员在舞台上处理台词一样,使用艺术性语言,给学生以美的享受、精神的愉悦及丰硕的学习成果.课堂上教学语言的穿插使用需要深思熟虑的
创建突变体库筛选突变体可以为西瓜育种提供新的种质材料,从而解决遗传狭窄的问题,推进西瓜种质创新。本试验以东北农业大学西甜瓜育种研究室自育的西瓜品系W1-17为材料,以EM
A stacked lateral double-diffused metal-oxide-semiconductor field-effect transistor (LDMOS) with enhanced depletion effect by surface substrate is proposed (ST-
Motivated by the growing interest in the novel quantum phases in materials with strong electron correlations and spin–orbit coupling, we study the interplay am
初中教师要提高生物课堂效率,必须通过科学创设情境、培养学生兴趣、深入研究教材和注重务实手段等途径才能取得成功.