64640 2025 eng 1 21 article Springer Science + Business Media Dordrecht [u.a.] 1 -- -- -- Understanding phase stability in multicomponent alloy systems, particularly at internal interfaces, remains a major challenge in materials science. Grain boundary (co-)segregation is a critical factor influencing interfacial stability, often leading to microstructural degradation and safety concerns. In this study, we investigate segregation behavior in the face-centered cubic (FCC) Fe–Ni–Cr alloy system, a foundational system for many steels, superalloys, and high-entropy alloys. CALPHAD-integrated density-based phase-field model is extended to compute the segregation of Fe, Ni, and Cr at grain boundaries as a function of the bulk composition, with the relative GB density serving as a key parameter representing grain boundary character. A high-throughput computational screening is performed across the stable compositional space at 723 K, 1023 K, and 1323 K. The results reveal a rich and temperature-sensitive segregation landscape, with element-specific enrichment and depletion patterns that vary with alloy composition. Notably, opposite segregation trends between Ni and Cr, and frequent co-segregation of Fe and Ni, are observed at lower temperatures. The developed framework captures the coupled effects of temperature, chemical interactions, grain boundary structure, and enthalpy-entropy compensation on segregation and GB phase stability. The origin and implications of these phenomena are discussed in terms of the underlying thermodynamic driving forces. Journal of Materials Science 10.1007/s10853-025-11717-5 1573-4803 urn:nbn:de:kobv:b43-646404 publish 17.11.2025 Creative Commons - CC BY - Namensnennung 4.0 International Jegatheesan Murugan Reza Darvishi Kamachali eng uncontrolled Segregation Engineering eng uncontrolled Grain boundary segregation eng uncontrolled Thermodynamics eng uncontrolled CALPHAD eng uncontrolled Fe--Ni--Cr alloys Ingenieurwissenschaften und zugeordnete Tätigkeiten 5 Werkstofftechnik 5.5 Materialmodellierung Material Verlagsliteratur Datei für die Öffentlichkeit verfügbar ("Open Access") Wissenschaftliche Artikel der BAM Materialdesign Bundesanstalt für Materialforschung und -prüfung (BAM) https://opus4.kobv.de/opus4-bam/files/64640/JMurugan_RDK_High-throughput_GB_segregation_FeNiCr.pdf