{"authors":[{"id":"orcid_______::eea146b7e19437d15927c2e8d9a4ac2c","fullName":"Bajpai, Anurag","name":"Anurag","surname":"Bajpai","rank":1,"pid":{"id":{"scheme":"orcid","value":"0000-0003-0456-1641"},"provenance":null}},{"id":"orcid_______::741516d41ccb708c2ef27a897de7dd93","fullName":"Wang, Jaemin","name":"Jaemin","surname":"Wang","rank":2,"pid":{"id":{"scheme":"orcid","value":"0000-0002-6845-6907"},"provenance":null}},{"id":null,"fullName":"Raabe, Dierk","name":"Dierk","surname":"Raabe","rank":3,"pid":null}],"openAccessColor":"gold","publiclyFunded":false,"eoscIfGuidelines":null,"type":"publication","language":{"code":"eng","label":"English"},"countries":null,"subjects":[{"subject":{"scheme":"FOS","value":"0205 materials engineering"},"provenance":null},{"subject":{"scheme":"FOS","value":"02 engineering and technology"},"provenance":null},{"subject":{"scheme":"keyword","value":"Article"},"provenance":null}],"mainTitle":"Compositional complexity buffers free-volume sensitivity and serrated flow in metallic glasses","subTitle":null,"descriptions":["<jats:title>Abstract</jats:title>                   <jats:p>                     Processing history imprints metallic glasses (MGs), yet whether compositional complexity desensitizes structure and mechanics to quench rate remains unresolved. We use large-scale molecular dynamics along a controlled Cu-Zr complexity ladder, Cu                     <jats:sub>50</jats:sub>                     Zr                     <jats:sub>50</jats:sub>                     , Cu                     <jats:sub>47.5</jats:sub>                     Zr                     <jats:sub>47.5</jats:sub>                     Al                     <jats:sub>5</jats:sub>                     , and Cu                     <jats:sub>45</jats:sub>                     Zr                     <jats:sub>45</jats:sub>                     Al                     <jats:sub>5</jats:sub>                     Ti                     <jats:sub>5</jats:sub>                     , vitrified over 10                     <jats:sup>11</jats:sup>                     –10                     <jats:sup>15</jats:sup>                     K·s                     <jats:sup>−1</jats:sup>                     and probed by spherical nanoindentation. Additionally, composition-resolved Cu                     <jats:sub>                       <jats:italic>x</jats:italic>                     </jats:sub>                     Zr                     <jats:sub>                       100−                       <jats:italic>x</jats:italic>                     </jats:sub>                     sweep (                     <jats:italic>x</jats:italic>                      = 40–65 at.%) and a microalloying series Cu                     <jats:sub>                       50-                       <jats:italic>z</jats:italic>                       /2                     </jats:sub>                     Zr                     <jats:sub>                       50-                       <jats:italic>z</jats:italic>                       /2                     </jats:sub>                     Al                     <jats:sub>                       <jats:italic>z</jats:italic>                     </jats:sub>                     , (                     <jats:italic>z</jats:italic>                      = 1–5 at.%) disentangle configurational entropy-driven effects from enthalpic and structural covariates. Atomic free volume is obtained from radical-Voronoi tessellation; non-affine rearrangements are quantified by Falk–Langer                     <jats:inline-formula>                       <jats:alternatives>                         <jats:tex-math>$${D}_{\\min }^{2}$$</jats:tex-math>                         <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\">                           <mml:msubsup>                             <mml:mrow>                               <mml:mi>D</mml:mi>                             </mml:mrow>                             <mml:mrow>                               <mml:mi>min</mml:mi>                             </mml:mrow>                             <mml:mrow>                               <mml:mn>2</mml:mn>                             </mml:mrow>                           </mml:msubsup>                         </mml:math>                       </jats:alternatives>                     </jats:inline-formula>                     field and clustered in three dimensions. Three quantitative descriptors capture the dispersion of free volume and its quench rate sensitivity as a function of compositional complexity. Increasing compositional complexity narrows free-volume distributions across quench rates and systematically reduces the fast-slow disparity. A two-axis reconciliation emerges: within binary Cu-Zr, configurational entropy peaks near equiatomic and minimizes rate sensitivity, whereas across alloy families (binary→ternary→quaternary), increased species diversity and size/enthalpy mismatch further suppress sensitivity. Structure-property co-variation is consistent: at fixed rate, hardness, modulus and elastic recovery increase, while serration density, STZ number density, and plastic-zone volume decrease. Radial-distribution metrics and indentation-induced icosahedral losses corroborate enhanced short/medium-range stability. Compositional complexity thus provides a quantitative lever for processing-tolerant, high-performance Cu-Zr-based MGs.                   </jats:p>"],"publicationDate":"2026-01-20","publisher":"Springer Science and Business Media LLC","embargoEndDate":null,"sources":["Crossref","NPJ Comput Mater"],"formats":null,"contributors":null,"coverages":null,"bestAccessRight":{"code":"c_abf2","label":"OPEN","scheme":"http://vocabularies.coar-repositories.org/documentation/access_rights/"},"container":{"name":"npj Computational 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