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

• Thin films exhibit a single-phase BCC structure but lack segregation observed in bulk alloys. • Mechanical property trends in thin films do not reliably predict yield strength in bulk alloys. • Microstructural differences between thin films and bulk alloys can influence mechanical behavior. 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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Publication Details

Journal
Materials & Design
Published
2025-05-06
DOI
https://doi.org/10.1016/j.matdes.2025.114063
Citations
2
Primary Topic
High Entropy Alloys Studies
Type
article
Field-Weighted Citation Impact
1.43

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article

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

Benjamin K. Derby, J. Wanni, Deva Prasaad Neelakandan, Saryu Fensin et al.
2 citations
Materials & Design
High Entropy Alloys Studies
1.43
article

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

Benjamin K. Derby, J. Wanni, Deva Prasaad Neelakandan, Saryu Fensin, James A. Valdez, Bernard Gaskey, Osman El‐Atwani, Michael C. Gao, Nan Li, Chanho Lee, O. Mikayla
article en
2 citations

Abstract

• Thin films exhibit a single-phase BCC structure but lack segregation observed in bulk alloys. • Mechanical property trends in thin films do not reliably predict yield strength in bulk alloys. • Microstructural differences between thin films and bulk alloys can influence mechanical behavior. 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

Materials & DesignVol. 254
Los Alamos National Laboratory (US), Pacific Northwest National Laboratory (US), National Energy Technology Laboratory (US), Center for Integrated Nanotechnologies (US), Auburn University (US)
U.S. Department of Energy, National Nuclear Security Administration, Los Alamos National Laboratory
Openalex Percentile: Top 20%
High Entropy Alloys Studies
1.43
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