{"title":"Three-phase material mapping with incomplete X-ray diffraction spectral information.","authors":"Xuyang Chang, Karine Lavernhe-Taillard, Stéphane Roux, Olivier Hubert","doi":"10.1107/S160057672300331X","DOIUrl":null,"url":null,"abstract":"<p><p>An equiatomic nickel-titanium shape-memory alloy specimen subjected to a uniaxial tensile load undergoes a two-step phase transformation under stress, from austenite (A) to a rhombohedral phase (R) and further to martensite (M) variants. The pseudo-elasticity that goes accompanies the phase transformation induces spatial inhomogeneity. To unravel the spatial distribution of the phases, <i>in situ</i> X-ray diffraction analyses are performed while the sample is under tensile load. However, the diffraction spectra of the R phase, as well as the extent of potential martensite detwinning, are not known. A novel algorithm, based on a proper orthogonal decomposition and incorporating inequality constraints, is proposed in order to map out the different phases and simultaneously yield the missing diffraction spectral information. An experimental case study illustrates the methodology.</p>","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":null,"pages":null},"PeriodicalIF":6.1000,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10241039/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Applied Crystallography","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1107/S160057672300331X","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"Biochemistry, Genetics and Molecular Biology","Score":null,"Total":0}
引用次数: 0
Abstract
An equiatomic nickel-titanium shape-memory alloy specimen subjected to a uniaxial tensile load undergoes a two-step phase transformation under stress, from austenite (A) to a rhombohedral phase (R) and further to martensite (M) variants. The pseudo-elasticity that goes accompanies the phase transformation induces spatial inhomogeneity. To unravel the spatial distribution of the phases, in situ X-ray diffraction analyses are performed while the sample is under tensile load. However, the diffraction spectra of the R phase, as well as the extent of potential martensite detwinning, are not known. A novel algorithm, based on a proper orthogonal decomposition and incorporating inequality constraints, is proposed in order to map out the different phases and simultaneously yield the missing diffraction spectral information. An experimental case study illustrates the methodology.
期刊介绍:
Many research topics in condensed matter research, materials science and the life sciences make use of crystallographic methods to study crystalline and non-crystalline matter with neutrons, X-rays and electrons. Articles published in the Journal of Applied Crystallography focus on these methods and their use in identifying structural and diffusion-controlled phase transformations, structure-property relationships, structural changes of defects, interfaces and surfaces, etc. Developments of instrumentation and crystallographic apparatus, theory and interpretation, numerical analysis and other related subjects are also covered. The journal is the primary place where crystallographic computer program information is published.