Long-ranged interactions in bcc NbMoTaW high-entropy alloys

Fritz Körmann; Andrei V. Ruban; Marcel H.F. Sluiter

doi:10.1080/21663831.2016.1198837

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Long-ranged interactions in bcc NbMoTaW high-entropy alloys

Original Report | 更新时间：2026-08-19

- Long-ranged interactions in bcc NbMoTaW high-entropy alloys
- Long-ranged interactions in bcc NbMoTaW high-entropy alloys
- 材料研究快报（英文） 2017年5卷第1期页码：35-40
- 作者机构：
  
  1. Department of Materials Science and Engineering Delft University of Technology
  2. Department of Materials Science and Engineering KTH Royal Institute of Technology Stockholm Sweden
  3. Materials Center Leoben
- 作者简介：
- 基金信息：
- DOI：10.1080/21663831.2016.1198837
  中图分类号：
- 网络首发：2016-07-08，
  
  纸质出版：2017
- 稿件说明：
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Fritz Körmann, Andrei V. Ruban, Marcel H.F. Sluiter. Long-ranged interactions in bcc NbMoTaW high-entropy alloys[J]. 材料研究快报（英文）, 2017,5(1):35-40.

Fritz Körmann, Andrei V. Ruban, Marcel H.F. Sluiter. Long-ranged interactions in bcc NbMoTaW high-entropy alloys[J]. Materials Research Letters, 2017, 5(1): 35-40.
Fritz Körmann, Andrei V. Ruban, Marcel H.F. Sluiter. Long-ranged interactions in bcc NbMoTaW high-entropy alloys[J]. 材料研究快报（英文）, 2017,5(1):35-40. DOI： 10.1080/21663831.2016.1198837.

Fritz Körmann, Andrei V. Ruban, Marcel H.F. Sluiter. Long-ranged interactions in bcc NbMoTaW high-entropy alloys[J]. Materials Research Letters, 2017, 5(1): 35-40. DOI： 10.1080/21663831.2016.1198837.

摘要

Abstract

BSTRACTWe reveal that in a prototypical bcc high-entropy alloy NbMoTaW chemical interactions are long ranged and highly frustrated. We show that this is the reason that bcc solid solutions in NbMoTaW can persist to low temperatures. The ab initio-computed long-ranged interactions strongly impact characteristic thermodynamic properties and ordering temperatures. This highlights the genuine importance of taking long-ranged chemical interactions into account for accurate theoretical predictions of high-entropy alloy properties.

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references

Huhn WP. Thermodynamics from first principles: prediction of phase diagrams and materials properties using density functional theory [dissertations]. 2014. (Open in a new window)Google Scholar

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