Unveiling the mechanisms of solid-solution strengthening in Ti alloys with dual-phase structures: an in-depth first-principles investigation.

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Title: Unveiling the mechanisms of solid-solution strengthening in Ti alloys with dual-phase structures: an in-depth first-principles investigation.
Authors: Xiang, Chumeng1,2 (AUTHOR), Li, Peixuan1 (AUTHOR), Jia, Dia1 (AUTHOR), Zou, Chengxiong1,2 (AUTHOR) zcx2016@mail.nwpu.edu.cn, Wang, William Yi1,2 (AUTHOR) wywang@nwpu.edu.cn, Li, Jinshan1,2 (AUTHOR) ljsh@nwpu.edu.cn
Source: Journal of Materials Science. Feb2025, Vol. 60 Issue 6, p3096-3112. 17p.
Subjects: Electron work function, Electronic density of states, Solution strengthening, Young's modulus, Heat of formation
Abstract: Titanium alloys have been widely used in the aerospace industry attributing to their superior mechanical properties. Conducted from a microscopic perspective, this work unveils the objective laws and intrinsic mechanisms of solid-solution strengthening in dual-phase Ti alloys. This study delves into β-Ti95X and α-Ti95X alloys, where X represents Al, Cr, Mo, Nb, and V. The basic physical properties including lattice constants, equilibrium volume, bulk modulus (B0), enthalpy of formation (ΔH), lattice distortion energy (ΔELD), electron work function (EWF), and bonding characteristics are analyzed. The results indicate that the α phase exhibits greater stability compared to the β phase due to differences in crystal structure. However, solid solution strengthening is more pronounced in the β phase, where larger solute atoms induce greater lattice distortion, significantly influencing the mechanical properties of Ti alloys. Further insights are gained by analyzing the bonding charge density and electronic density of states, providing a deeper understanding of the interactions between solute atoms and Ti atoms. Moreover, a power-law model is established between Young's modulus (E) and EWF, providing essential theoretical and data support for the development of new high-performance Ti alloys. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Materials Science is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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Items – Name: Title
  Label: Title
  Group: Ti
  Data: Unveiling the mechanisms of solid-solution strengthening in Ti alloys with dual-phase structures: an in-depth first-principles investigation.
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  Data: <searchLink fieldCode="AR" term="%22Xiang%2C+Chumeng%22">Xiang, Chumeng</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Peixuan%22">Li, Peixuan</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Jia%2C+Dia%22">Jia, Dia</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zou%2C+Chengxiong%22">Zou, Chengxiong</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> zcx2016@mail.nwpu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Wang%2C+William+Yi%22">Wang, William Yi</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> wywang@nwpu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Li%2C+Jinshan%22">Li, Jinshan</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> ljsh@nwpu.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Materials+Science%22">Journal of Materials Science</searchLink>. Feb2025, Vol. 60 Issue 6, p3096-3112. 17p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Electron+work+function%22">Electron work function</searchLink><br /><searchLink fieldCode="DE" term="%22Electronic+density+of+states%22">Electronic density of states</searchLink><br /><searchLink fieldCode="DE" term="%22Solution+strengthening%22">Solution strengthening</searchLink><br /><searchLink fieldCode="DE" term="%22Young's+modulus%22">Young's modulus</searchLink><br /><searchLink fieldCode="DE" term="%22Heat+of+formation%22">Heat of formation</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Titanium alloys have been widely used in the aerospace industry attributing to their superior mechanical properties. Conducted from a microscopic perspective, this work unveils the objective laws and intrinsic mechanisms of solid-solution strengthening in dual-phase Ti alloys. This study delves into β-Ti95X and α-Ti95X alloys, where X represents Al, Cr, Mo, Nb, and V. The basic physical properties including lattice constants, equilibrium volume, bulk modulus (B0), enthalpy of formation (ΔH), lattice distortion energy (ΔELD), electron work function (EWF), and bonding characteristics are analyzed. The results indicate that the α phase exhibits greater stability compared to the β phase due to differences in crystal structure. However, solid solution strengthening is more pronounced in the β phase, where larger solute atoms induce greater lattice distortion, significantly influencing the mechanical properties of Ti alloys. Further insights are gained by analyzing the bonding charge density and electronic density of states, providing a deeper understanding of the interactions between solute atoms and Ti atoms. Moreover, a power-law model is established between Young's modulus (E) and EWF, providing essential theoretical and data support for the development of new high-performance Ti alloys. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Materials Science is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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      – Type: doi
        Value: 10.1007/s10853-025-10602-5
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      – Code: eng
        Text: English
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        PageCount: 17
        StartPage: 3096
    Subjects:
      – SubjectFull: Electron work function
        Type: general
      – SubjectFull: Electronic density of states
        Type: general
      – SubjectFull: Solution strengthening
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      – SubjectFull: Young's modulus
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      – SubjectFull: Heat of formation
        Type: general
    Titles:
      – TitleFull: Unveiling the mechanisms of solid-solution strengthening in Ti alloys with dual-phase structures: an in-depth first-principles investigation.
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            NameFull: Xiang, Chumeng
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            NameFull: Li, Peixuan
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            NameFull: Zou, Chengxiong
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            NameFull: Wang, William Yi
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            – D: 08
              M: 02
              Text: Feb2025
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              Y: 2025
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