First-principles investigation of B2 partial disordered structure, martensitic transformation, elast

来源 :材料科学技术(英文版) | 被引量 : 0次 | 上传用户:Janette
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
In this work,the B2 partial disordered structure of the austenitic parent phase,martensitic transformation,elastic and magnetic properties of the Ni8Mn4+xTi4-x (x =0,1 and 2) Heusler alloys have been systematically investigated by the first-principles calculations.The preferential atomic occupation of B2 structure is one Ti atom exchange with the nearest neighboring Mn atom from the view of lowest energy principle.This disordered exchange sites (Mn-Ti) and the excess Mn atoms occupying the Ti sites (MnTi) could reduce the nearest Mn-Mn distance,resulting in the antiferromagnetic state in the austenitic and martensitic phases of the alloys.The total magnetic moment of the alloy decreases with the increasing Mn content;it is ascribed to the antiferromagnetic magnetic moments of the excess Mn atoms.When x =0,the alloy does not undergo martensitic transformation since the austenite has absolute phase stability.The martensitic transformation will occur during cooling process for x =1 or 2,owing to the energy difference between the austenite and the martensite could provide the driving force for the phase transformation.The elastic properties of the cubic austenitic phase for the Ni2MnTi alloy is calculated,and the results reveal the reason why Ni-Mn-Ti alloy has excellent mechanical properties.The origin of martensitic transformation and magnetic properties was discussed based on the electronic density of states.
其他文献
使用电子万能试验机和分离式Hopkinson压杆分别测量TC2钛合金的准静态和动态应变下的应力-应变曲线,并结合显微组织的变化研究了高应变率下的动态流动应力特征.结果 表明:应
Metastable high entropy alloys (HEAs) and amorphous metallic glasses (MGs),with the chemical disordered character,are intensively studied due to their excellent
It is a long-standing challenge to search for metallic glasses (MGs) with optimal combinations of glassforming ability (GFA),strength and toughness in the vast
Molybdenum disulfide (MoS2) is a promising electrode material for sodium-ion batteries as it offers a large capacity through a distinct conversion reaction.Howe
A novel Al-14.1 Mg-0.47Si-0.31 Sc-0.17 Zr alloy was applied in the printing process of selective laser melting (SLM),and the corresponding microstructural featu
Plasma spray-physical vapor deposition (PS-PVD) has exhibited the potential ability to prepare columnar structures for advanced thermal barrier coatings (TBCs).
Liquid-metal cooling (LMC) process can offer refinement of microstructure and reduce defects due to the increased cooling rate from enhanced heat extraction,and
Wire + arc additive manufacturing (WAAM) is considered an innovative technology that can change the manufacturing landscape in the near future.WAAM offers the b
2020年,我国新能源汽车市场产销分别完成136.6万辆和136.7万辆,同比分别增长7.5%和10.9%,产销量创历史新高.越来越多的消费者,特别是具有高端消费水平的消费者更有意愿了解并购
期刊
Analysis of the recently proposed equal channel angular bending (ECAB) process is provided on thin hotrolled AZ31 magnesium alloy sheets.In particular,effects o