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Universal electron diffuse scattering in FCC alloys: A kinematic thermal diffuse-scattering analysis

Po-Cheng Kung1, Tianyu Su1, Elif Ertekin2,3, Jian-Min Zuo1,3, and Jessica Krogstad1,3,*

  • *Contact author: jakrogst@illinois.edu

Phys. Rev. Materials 10, 103605 – Published 13 October, 2026

DOI: https://doi.org/10.1103/53wp-k3hy

Abstract

Chemical short-range order (CSRO) critically underpins the physical properties of complex face-centered cubic (FCC) alloys, yet its reliable identification by electron diffuse scattering is often impeded by thermal diffuse scattering (TDS). This work revisits the kinematic theory of first-order TDS to establish a generalizable connection between characteristic TDS features and phonon dispersion relations in FCC systems. Simulations of pure Ni TDS patterns indicate that the commonly observed 1/3{422} and 1/2{311} peaks and diffuse streaking in [111¯] and [112¯] zone axes result from low-frequency transverse acoustic {111} (L-branch) phonons in FCC lattices. We experimentally confirm that these hallmark features persist in complex FCC alloys, including a (CrCoNi)93Al4Ti2Nb medium-entropy alloy and an Fe-17Cr-3Ni-9Mn-3Cu-0.3N-0.14C austenitic stainless steel, and confirm their TDS origin through temperature-dependent measurements. We also discuss how TDS can confound CSRO characterization at the 1/3{422} and 1/2{311} positions in complex FCC alloys and propose practical strategies for robust CSRO analysis: targeting reflections in orientations where TDS and CSRO peaks separate in reciprocal space, such as the 1/3{511} positions in [114¯]. These results provide a transferable, physics-based approach for interpreting electron diffuse scattering in FCC metals and complex alloys and for designing diffraction measurements that isolate CSRO from ubiquitous TDS.

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