Li-li Zhou , Yong-chao Liang , Yuan-Qi Jiang , Ze-an Tian , Yun-fei Mo , Lang-tao Fan
{"title":"用追踪法了解无定形 Ca65Mg15Zn20 合金剪切带的形成和扩展","authors":"Li-li Zhou , Yong-chao Liang , Yuan-Qi Jiang , Ze-an Tian , Yun-fei Mo , Lang-tao Fan","doi":"10.1016/j.intermet.2024.108402","DOIUrl":null,"url":null,"abstract":"<div><p>Understanding the mechanism of the formation and evolution of shear band is important for improving and designing the mechanical properties of amorphous alloys. Molecular dynamics simulation study on the uniaxial compression of amorphous Ca<sub>65</sub>Mg<sub>15</sub>Zn<sub>20</sub> alloy was performed in this work. The hidden correlation between the microstructure and evolution of shear band was revealed by a tracing method based on our previously proposed largest standard cluster analysis method. Results indicated that the topologically close-packed clusters are intrinsic characteristic structures of metallic glasses that closely related with the deformation process. And the three stages of the deformation process were highlighted and reasonably explicated by the number of shear transformation zones (STZs), the size of the largest STZs, and the indexes based on the Top-10 largest standard clusters. Where the shear transformation occurs closely depends on the local atomic structure of the sample, the areas of lower order and looser compaction are more prone to shear transformation, which gradually nucleated and evolved into shear bands with increased strain. Interestingly, results also revealed that the generation and propagation of shear bands conduct to the rejuvenation of the atomic structure outside the shear bands of the amorphous sample during compression. These findings improve the understanding of the generation and propagation of shear bands, so as to provide guidance for designing of new amorphous materials with desired mechanical properties.</p></div>","PeriodicalId":331,"journal":{"name":"Intermetallics","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Understanding the initiation and propagation of shear bands of amorphous Ca65Mg15Zn20 alloy by tracing method\",\"authors\":\"Li-li Zhou , Yong-chao Liang , Yuan-Qi Jiang , Ze-an Tian , Yun-fei Mo , Lang-tao Fan\",\"doi\":\"10.1016/j.intermet.2024.108402\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Understanding the mechanism of the formation and evolution of shear band is important for improving and designing the mechanical properties of amorphous alloys. Molecular dynamics simulation study on the uniaxial compression of amorphous Ca<sub>65</sub>Mg<sub>15</sub>Zn<sub>20</sub> alloy was performed in this work. The hidden correlation between the microstructure and evolution of shear band was revealed by a tracing method based on our previously proposed largest standard cluster analysis method. Results indicated that the topologically close-packed clusters are intrinsic characteristic structures of metallic glasses that closely related with the deformation process. And the three stages of the deformation process were highlighted and reasonably explicated by the number of shear transformation zones (STZs), the size of the largest STZs, and the indexes based on the Top-10 largest standard clusters. Where the shear transformation occurs closely depends on the local atomic structure of the sample, the areas of lower order and looser compaction are more prone to shear transformation, which gradually nucleated and evolved into shear bands with increased strain. Interestingly, results also revealed that the generation and propagation of shear bands conduct to the rejuvenation of the atomic structure outside the shear bands of the amorphous sample during compression. These findings improve the understanding of the generation and propagation of shear bands, so as to provide guidance for designing of new amorphous materials with desired mechanical properties.</p></div>\",\"PeriodicalId\":331,\"journal\":{\"name\":\"Intermetallics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2024-07-04\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Intermetallics\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0966979524002218\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Intermetallics","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0966979524002218","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Understanding the initiation and propagation of shear bands of amorphous Ca65Mg15Zn20 alloy by tracing method
Understanding the mechanism of the formation and evolution of shear band is important for improving and designing the mechanical properties of amorphous alloys. Molecular dynamics simulation study on the uniaxial compression of amorphous Ca65Mg15Zn20 alloy was performed in this work. The hidden correlation between the microstructure and evolution of shear band was revealed by a tracing method based on our previously proposed largest standard cluster analysis method. Results indicated that the topologically close-packed clusters are intrinsic characteristic structures of metallic glasses that closely related with the deformation process. And the three stages of the deformation process were highlighted and reasonably explicated by the number of shear transformation zones (STZs), the size of the largest STZs, and the indexes based on the Top-10 largest standard clusters. Where the shear transformation occurs closely depends on the local atomic structure of the sample, the areas of lower order and looser compaction are more prone to shear transformation, which gradually nucleated and evolved into shear bands with increased strain. Interestingly, results also revealed that the generation and propagation of shear bands conduct to the rejuvenation of the atomic structure outside the shear bands of the amorphous sample during compression. These findings improve the understanding of the generation and propagation of shear bands, so as to provide guidance for designing of new amorphous materials with desired mechanical properties.
期刊介绍:
This journal is a platform for publishing innovative research and overviews for advancing our understanding of the structure, property, and functionality of complex metallic alloys, including intermetallics, metallic glasses, and high entropy alloys.
The journal reports the science and engineering of metallic materials in the following aspects:
Theories and experiments which address the relationship between property and structure in all length scales.
Physical modeling and numerical simulations which provide a comprehensive understanding of experimental observations.
Stimulated methodologies to characterize the structure and chemistry of materials that correlate the properties.
Technological applications resulting from the understanding of property-structure relationship in materials.
Novel and cutting-edge results warranting rapid communication.
The journal also publishes special issues on selected topics and overviews by invitation only.