Assessing thin films as predictors of bulk properties in high-throughput alloy design

Wanni Arachchi Kankanamge, Janith Chathuranga; Lee, Chanho; Neelakandan, Deva Prasaad; Derby, Benjamin Kyle; Atwani, Osman El; Valdez, James A.; Gao, Michael C.; Obrist, Mikayla Alexa; Gaskey, Bernard Daniel; Li, Nan; Fensin, Saryu Jindal

doi:10.1016/j.matdes.2025.114063

Assessing thin films as predictors of bulk properties in high-throughput alloy design

Journal Article · Tue May 06 00:00:00 EDT 2025 · Materials & Design

DOI:https://doi.org/10.1016/j.matdes.2025.114063· OSTI ID:2564487

^[1]; Lee, Chanho ^[2]; ^[2]; ^[1]; Atwani, Osman El ^[3]; ^[1]; Gao, Michael C. ^[4]; Obrist, Mikayla Alexa ^[1]; ^[1]; ^[1]; ^[1]

Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Auburn Univ., AL (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
National Energy Technology Laboratory (NETL), Albany, OR (United States)

Thin film deposition offers a high-throughput route for alloy screening, but its ability to predict bulk alloy behavior remains uncertain. In this study, we compare the microstructure and mechanical properties of thin-film and bulk forms of a five-element NbMoTaTiV refractory high-entropy alloy (RHEA). Fifteen thin-film compositions were fabricated via magnetron sputtering, and five representative compositions were synthesized in bulk by arc melting. Both forms exhibited a single-phase BCC structure, confirming that thin films can capture phase formation. However, significant differences were observed: thin films exhibited ultrafine columnar grains (∼100 nm) with chemical homogeneity at micron length scale, while bulk alloys showed coarse equiaxed grains (∼100–150 μm) and stable elemental segregation even after high-temperature heat treatment. Nanohardness trends in thin films generally correlated with bulk nanoindentation and Vickers hardness, but compressive testing revealed that hardness alone could not predict yield strength (YS). In particular, the alloy with the highest hardness showed the lowest YS due to segregation and defects. These findings highlight that thin films provide valuable insights into intrinsic compositional effects but must be paired with microstructural characterization and bulk validation.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP)

Grant/Contract Number:: 89233218CNA000001

OSTI ID:: 2564487

Alternate ID(s):: OSTI ID: 2570892

Report Number(s):: LA-UR--25-24974; 10.1016/j.matdes.2025.114063

Journal Information:: Materials & Design, Journal Name: Materials & Design Vol. 254; ISSN 0264-1275

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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