Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys
As a type of refractory high-entropy alloy (RHEA), NbMoTaW shows significant potential as a high-temperature alloy material. However, studies on its high-temperature creep behavior remain limited. In this work, we investigate Nb1-xMo25Ta25Wx (x = 10, 17, 25, 33, and 40) to examine the effect of tung...
Saved in:
| Main Authors: | , , , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-05-01
|
| Series: | Journal of Materials Research and Technology |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785425008087 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850203313348280320 |
|---|---|
| author | Xinyuan Zhang Penghui Bai Feiyang Wang Haitao Zhao Xiaoye Zhou Shuize Wang Junheng Gao Chaolei Zhang Hong-Hui Wu Xinping Mao |
| author_facet | Xinyuan Zhang Penghui Bai Feiyang Wang Haitao Zhao Xiaoye Zhou Shuize Wang Junheng Gao Chaolei Zhang Hong-Hui Wu Xinping Mao |
| author_sort | Xinyuan Zhang |
| collection | DOAJ |
| description | As a type of refractory high-entropy alloy (RHEA), NbMoTaW shows significant potential as a high-temperature alloy material. However, studies on its high-temperature creep behavior remain limited. In this work, we investigate Nb1-xMo25Ta25Wx (x = 10, 17, 25, 33, and 40) to examine the effect of tungsten (W) content on high-temperature creep resistance. Using molecular dynamics (MD) and Monte Carlo (MC) simulations, the deformation behavior and atomic mechanisms of NbMoTaW with varying W contents under creep loading were explored. The influence of temperature, sustained stress, and W content on creep behavior were analyzed. The results reveal that increased W content enhances the solute drag effect on other solute atoms, thus hindering grain motion and improving high-temperature creep resistance. Additionally, MC swaps increase grain-interior W content, further enhancing the high-temperature creep resistance. This study provides valuable insights into the high-temperature creep mechanisms of NbMoTaW and offers strategic guidance for designing alloy materials with superior high-temperature creep resistance. |
| format | Article |
| id | doaj-art-46783d3ce67f460e85fe9a9a4fbfdb25 |
| institution | OA Journals |
| issn | 2238-7854 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-46783d3ce67f460e85fe9a9a4fbfdb252025-08-20T02:11:34ZengElsevierJournal of Materials Research and Technology2238-78542025-05-01363289329710.1016/j.jmrt.2025.03.298Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloysXinyuan Zhang0Penghui Bai1Feiyang Wang2Haitao Zhao3Xiaoye Zhou4Shuize Wang5Junheng Gao6Chaolei Zhang7Hong-Hui Wu8Xinping Mao9Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, ChinaInstitute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, ChinaInstitute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, ChinaInstitute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Corresponding author. Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China.Department of Materials Science and Engineering, Shenzhen MSU-BIT University, Shenzhen, 518172, China; Corresponding author. Department of Materials Science and Engineering, Shenzhen MSU-BIT University, Shenzhen 518172, China.Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, ChinaInstitute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, ChinaInstitute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, ChinaInstitute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Institute of Materials Intelligent Technology, Liaoning Academy of Materials, Shenyang, 110004, China; Corresponding author. Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China.Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing, 100083, China; Institute of Steel Sustainable Technology, Liaoning Academy of Materials, Shenyang, 110004, ChinaAs a type of refractory high-entropy alloy (RHEA), NbMoTaW shows significant potential as a high-temperature alloy material. However, studies on its high-temperature creep behavior remain limited. In this work, we investigate Nb1-xMo25Ta25Wx (x = 10, 17, 25, 33, and 40) to examine the effect of tungsten (W) content on high-temperature creep resistance. Using molecular dynamics (MD) and Monte Carlo (MC) simulations, the deformation behavior and atomic mechanisms of NbMoTaW with varying W contents under creep loading were explored. The influence of temperature, sustained stress, and W content on creep behavior were analyzed. The results reveal that increased W content enhances the solute drag effect on other solute atoms, thus hindering grain motion and improving high-temperature creep resistance. Additionally, MC swaps increase grain-interior W content, further enhancing the high-temperature creep resistance. This study provides valuable insights into the high-temperature creep mechanisms of NbMoTaW and offers strategic guidance for designing alloy materials with superior high-temperature creep resistance.http://www.sciencedirect.com/science/article/pii/S2238785425008087Molecular dynamics simulationsCreep behaviorAtomic deformation mechanismNanocrystalline alloys |
| spellingShingle | Xinyuan Zhang Penghui Bai Feiyang Wang Haitao Zhao Xiaoye Zhou Shuize Wang Junheng Gao Chaolei Zhang Hong-Hui Wu Xinping Mao Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys Journal of Materials Research and Technology Molecular dynamics simulations Creep behavior Atomic deformation mechanism Nanocrystalline alloys |
| title | Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys |
| title_full | Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys |
| title_fullStr | Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys |
| title_full_unstemmed | Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys |
| title_short | Atomistic insight into the effects of W content on the creep behaviors of NbMoTaW high-entropy alloys |
| title_sort | atomistic insight into the effects of w content on the creep behaviors of nbmotaw high entropy alloys |
| topic | Molecular dynamics simulations Creep behavior Atomic deformation mechanism Nanocrystalline alloys |
| url | http://www.sciencedirect.com/science/article/pii/S2238785425008087 |
| work_keys_str_mv | AT xinyuanzhang atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT penghuibai atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT feiyangwang atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT haitaozhao atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT xiaoyezhou atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT shuizewang atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT junhenggao atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT chaoleizhang atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT honghuiwu atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys AT xinpingmao atomisticinsightintotheeffectsofwcontentonthecreepbehaviorsofnbmotawhighentropyalloys |