Refractory multiprincipal element alloys (MPEAs) are promising materials to meet the demands of aggressive structural applications, yet require fundamentally different avenues for accommodating plastic deformation in the body-centered cubic (bcc) variants of these alloys. We show a desirable combination of homogeneous plastic deformability and strength in the bcc MPEA MoNbTi, enabled by the rugged atomic environment through which dislocations must navigate. Our observations of dislocation motion and atomistic calculations unveil the unexpected dominance of nonscrew character dislocations and numerous slip planes for dislocation glide. This behavior lends credence to theories that explain the exceptional high temperature strength of similar alloys. Our results advance a defect-aware perspective to alloy design strategies for materials capable of performance across the temperature spectrum.
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http://dx.doi.org/10.1126/science.aba3722 | DOI Listing |
Sci Adv
September 2024
Department of Materials Science & Engineering, Johns Hopkins University, Baltimore, MD, USA.
Refractory multiprincipal element alloys (RMPEAs) are potential successors to incumbent high-temperature structural alloys, although efforts to improve oxidation resistance with large additions of passivating elements have led to embrittlement. RMPEAs containing group IV and V elements have a balance of properties including moderate ductility, low density, and the necessary formability. We find that oxidation of group IV-V RMPEAs induces hierarchical heterogeneities, ranging from nanoscale interstitial complexes to tertiary phases.
View Article and Find Full Text PDFNPJ Comput Mater
July 2024
Materials Center Leoben Forschung GmbH, Roseggerstraße 12, Leoben, A-8700 Austria.
While first-principles methods have been successfully applied to characterize individual properties of multi-principal element alloys (MPEA), their use in searching for optimal trade-offs between competing properties is hampered by high computational demands. In this work, we present a framework to explore Pareto-optimal compositions by integrating advanced ab initio-based techniques into a Bayesian multi-objective optimization workflow, complemented by a simple analytical model providing straightforward analysis of trends. We benchmark the framework by applying it to solid solution strengthening and ductility of refractory MPEAs, with the parameters of the strengthening and ductility models being efficiently computed using a combination of the coherent-potential approximation method, accounting for finite-temperature effects, and actively-learned moment-tensor potentials parameterized with ab initio data.
View Article and Find Full Text PDFACS Omega
January 2024
School of Materials Science & Engineering, Chonnam National University, Gwangju 61186, Republic of Korea.
Previously, refractory high-entropy alloys (HEAs) with high crystallinity were synthesized using a configurable target without heat treatment. This study builds upon prior investigations to develop nonrefractory elemental HEAs with low crystallinity using a novel target system. Different targets with various elemental compositions, i.
View Article and Find Full Text PDFNature
January 2024
Beijing Key Laboratory of Microstructure and Property of Advanced Materials, Faculty of Materials and Manufacturing, Beijing University of Technology, Beijing, China.
Body-centred cubic refractory multi-principal element alloys (MPEAs), with several refractory metal elements as constituents and featuring a yield strength greater than one gigapascal, are promising materials to meet the demands of aggressive structural applications. Their low-to-no tensile ductility at room temperature, however, limits their processability and scaled-up application. Here we present a HfNbTiVAl alloy that shows remarkable tensile ductility (roughly 20%) and ultrahigh yield strength (roughly 1,390 megapascals).
View Article and Find Full Text PDFChem Mater
September 2023
Institute for Functional Materials & Devices, Lehigh University, Bethlehem, Pennsylvania 18015, United States.
Borides are extensively employed in applications demanding exceptionally high hardness, which arises from the unique and strong crystallographic arrangement of boron atoms therein. Addition of multiprincipal elements in borides is expected to enhance their structural properties due to lattice distortion and high configurational entropy. In contrast, we unravel a phenomenon of elastic softening in refractory multicomponent borides from first-principle predictions, which concur with experimentally determined metrics in their single-phase multiprincipal element counterparts.
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