{"title":"Wetting and spreading of NiCrFeSiB on iron-based alloy substrate at different temperatures: A molecular dynamics study","authors":"Liu Yang, Rui Xue, Yibo Kang, Mingwei Zou","doi":"10.1016/j.commatsci.2025.113826","DOIUrl":null,"url":null,"abstract":"<div><div>In this study, the molecular dynamics modeling method was used to investigate the wetting and spreading behavior of Ni-based high-temperature brazing alloy (NiCrFeSiB) on iron substrate. The modeling results reveal that the wetting and spreading morphology of the molten droplet on the substrate surface varies significantly with temperature and diffusion time. The spreading behavior of the droplet is closely related to both temperature and time, with the spreading velocity increasing as the temperature rises. The droplet spreading process can be divided into two distinct stages: rapid spreading and slow spreading. Notably, significant atomic interdiffusion is observed near the solid–liquid contact region. Furthermore, the diffusion capabilities of different elements vary considerably, a phenomenon closely associated with the interactions between atoms.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"253 ","pages":"Article 113826"},"PeriodicalIF":3.1000,"publicationDate":"2025-03-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025625001697","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
In this study, the molecular dynamics modeling method was used to investigate the wetting and spreading behavior of Ni-based high-temperature brazing alloy (NiCrFeSiB) on iron substrate. The modeling results reveal that the wetting and spreading morphology of the molten droplet on the substrate surface varies significantly with temperature and diffusion time. The spreading behavior of the droplet is closely related to both temperature and time, with the spreading velocity increasing as the temperature rises. The droplet spreading process can be divided into two distinct stages: rapid spreading and slow spreading. Notably, significant atomic interdiffusion is observed near the solid–liquid contact region. Furthermore, the diffusion capabilities of different elements vary considerably, a phenomenon closely associated with the interactions between atoms.
期刊介绍:
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.