Disorderly Systems, Linear Insights

A universal linear structure-property relationship (SPR) is established for predicting phonon-related properties of amorphous materials, where atomic configurations are encoded via a symmetry-invariant radial distribution function [latex]RDF_g(r)g(r)[/latex] and mapped to target observables-including phonon density of states, Raman, inelastic neutron scattering, and inelastic X-ray scattering spectra-through learnable weights and biases shared across diverse amorphous systems, encompassing monolayers, bulk glasses, and high-entropy alloys with varying degrees of structural disorder.

New research reveals a surprisingly simple relationship between structure and vibrational properties in amorphous materials, challenging the need for complex modeling.