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首页> 外文期刊>Journal of Materials Research >Martensitic transformation from β to α′ and α″ phases in Ti-V alloys: A first-principles study
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Martensitic transformation from β to α′ and α″ phases in Ti-V alloys: A first-principles study

机译：Ti-V合金中从β相到α′相和α′相的马氏体转变：第一性原理研究

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摘要

The ground state properties of the α′ and α″ martensitic phases and energetic pathways of the β → α′/α″ martensitic transformations in Ti-(0-30 at.%)V alloys were investigated by first-principles method in combination with virtual crystal approximation. The results show that lattice parameters with c/a of the α′ phase and lattice parameters with b/a, c/a of the α″ phase are significantly sensitive to composition, and the atomic shuffle y of the α″ phase decreases from that of the α′ phase toward that of the β phase with increasing V content in Ti-V alloys. The compositional α′/α″ phase boundary is about 10 at.% V, from the viewpoints of energetics and mechanical stability of these phases. The principal lattice strains of the β → α′ transformation are insensitive to the V content, while those of the β → α″ transformation change significantly with increasing V content. The volume variation for β → α′ increases, whereas that for β → α″ decreases with increasing V content in Ti-V alloys. The energetic pathway results show that the relative stability of the α′ and α″ phases decrease with increasing V content and temperature and that there is no energy barriers during the β → α′/α″ martensitic transformations at temperatures from 0 to 400 K.
机译：运用第一性原理和结合原理研究了Ti-（0-30 at。％）V合金中α'和α''马氏体相的基态性质以及β→α'/α''马氏体相变的能级路径虚拟晶体近似。结果表明，α′相的c / a和α″相的b / a，c / a的晶格参数对组成显着敏感，而α″相的原子混洗y从在Ti-V合金中，随着V含量的增加，α'相向β相的转变。从这些相的能量和机械稳定性的观点来看，组成α'/α''的相界为约10原子％V。 β→α'转变的主晶格应变对V含量不敏感，而β→α''转变的主晶格应变随V含量的增加而显着变化。随着Ti-V合金中V含量的增加，β→α'的体积变化增大，而β→α''的体积变化减小。能量路径结果表明，α'相和α''相的相对稳定性随着V含量和温度的升高而降低，并且在温度从0到400 K的β→α'/α''马氏体转变过程中没有能垒。

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  • 来源
    《Journal of Materials Research》 |2017年第16期|3183-3190|共8页
  • 作者

    Mei Wei; Sun Jian; Wen Yufeng;

  • 作者单位

    Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, China;

    Shanghai Key Laboratory of Advanced High-Temperature Materials and Precision Forming, School of Materials Science and Engineering, Shanghai Jiaotong University, Shanghai, China;

    School of Mathematical Sciences and Physics, Jinggangshan University, Jiangxi Province, China;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    elastic properties; phase transformation; Ti;

    机译：弹性相变钛;

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