skip to main content
US FlagAn official website of the United States government
dot gov icon
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
https lock icon
Secure .gov websites use HTTPS
A lock ( lock ) or https:// means you've safely connected to the .gov website. Share sensitive information only on official, secure websites.


Title: Study of growth twins and phase formation in CuNiAl alloys via a combinatorial approach
In this study, a combinatorial and high-throughput approach was leveraged to investigate nanotwin behavior in the ternary CuNiAl alloy system. Combinatorial co-sputtering was used to synthesize 169 unique CuNiAl alloy compositions, which were characterized in both the as-sputtered and annealed conditions to elucidate relationships between composition, nanotwin formation, and phase evolution. Compositional effects on phase formation were investigated using high-throughput X-ray diffraction, while scanning transmission electron microscopy was used to identify nanotwin compositional boundaries and isolate the roles of varied composition and nanotwin formation on microstructural evolution. It was determined that Al content was the primary variable influencing thermal evolution in the nanotwinned CuNiAl alloys, as it altered the thermodynamic driving forces by changing composition and reducing the as-sputtered twin boundary spacing. Overall, this work demonstrates a novel approach to globally study unexplored nanotwin synthesis domains beyond binary alloys.  more » « less
Award ID(s):
2227178 2106597
PAR ID:
10645245
Author(s) / Creator(s):
; ; ;
Publisher / Repository:
Springer
Date Published:
Journal Name:
Journal of Materials Research
Volume:
40
Issue:
2
ISSN:
0884-2914
Page Range / eLocation ID:
202 to 212
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
More Like this
  1. Surface segregation is a phenomenon common to all multicomponent materials and one that plays a critical role in determining their surface properties. Comprehensive studies of surface segregation versus bulk composition in ternary alloys have been prohibitive because of the need to study many different compositions. In this work, high-throughput low-energy He+ ionscattering spectra and energy-dispersive X-ray spectra were collected from a CuxAuyPd1−x−y composition spread alloy film under ultrahigh vacuum conditions. These have been used to quantify surface segregation across the entire CuxAuyPd1−x−y composition space (x = 0 → 1 and y = 0 → 1 − x). Surface compositions at 164 different bulk compositions were measured at 500 and 600 K. At both temperatures, Au shows the greatest tendency for segregation to the top-most surface while Pd is always depleted from the surface. Higher temperatures enhance the Au segregation. Segregation at most of the binary alloy bulk compositions matches with observations previously reported in the literature. However, surface compositions in the CuPd B2 composition region reveal segregation profiles that are nonmonotonic in bulk alloy composition. These were not observable in prior studies because of their limited resolution of composition space. An extended Langmuir−MacLean model, which describes ternary alloy segregation, has been used to analyze experimental data from the ternary alloys and to estimate pair-wise segregation free energies and segregation equilibrium constants. The ability to study surface segregation across the ternary alloy composition space with high-throughput methods has been validated, and the impact of bulk alloy phase on surface segregation is demonstrated and discussed. 
    more » « less
  2. Al x CoCrFeNi High Entropy Alloys (HEAs), also referred to as multiprincipal element alloys, have attracted significant interest due to their promising mechanical and structural properties. Despite these attributes, Al x CoCrFeNi HEAs are susceptible to phase separation, forming a wide range of secondary phases upon aging, including NiAl–B2 and Cr-rich phases. Controlling the formation of these phases will enable the design of age-hardenable alloys with optimized corrosion resistance. In this study, we examine the critical role of Al additions and their concentration on the stability of the CoCrFeNi base alloy, uncovering the connections between Al composition and the resulting microstructure. Addition of 0.1 mol fraction of Al destabilizes the single-phase microstructure and results in the formation of Cr-rich body-centered-cubic (bcc) phases. Increasing the composition of Al (0.3–0.5 mol fraction) results in the formation of more complex coprecipitates, NiAl–B2 and Cr-rich bcc. Interestingly, we find that the increase of the Al content stimulates the formation of NiAl–B2 phases, increases the overall density of secondary phases, and influences the content of Cr in Cr-rich bcc phases. Density functional theory calculations of simple decomposition reactions of Al x CoCrFeNi HEAs corroborate the tendency for precipitate formation of these phases upon increased Al composition. Additionally, these calculations support previous results, indicating the base CoCrFeNi alloy to be unstable at low temperature. This work provides a foundation for predictive understanding of phase evolution, opening the window toward designing innovative alloys for targeted applications. 
    more » « less
  3. As new alloys are being developed for additive manufacturing (AM) applications, questions related to the temperature-dependent structural and compositional stability of these alloys remain. In this work, the benefits and limitations of a unique method for testing this stability are presented. This system employs the use of polychromatic synchrotron light to perform energy-dispersive x-ray diffraction (ED-XRD) on an electrostatically levitated sample at high temperatures. In comparison with a traditional angular-dispersive setup, the container-less electrostatic levitation method has unique advantages, including quicker acquisition times, simultaneous compositional information through fluorescence emissions, a reduction in background noise, and, importantly, concurrent/subsequent measurement of thermophysical properties. This combined method is ideal for phase transition studies by holding the levitated sample at a stable position and temperature through controlled heating and temperature management. To illustrate these capabilities, we show ED-XRD data of the well-known martensitic phase transition (hcp to bcc) in Ti–6Al–4V. In addition, results from the novel alloy Ni51Cu44Cr5 are presented. This alloy is shown to maintain an fcc structure upon heating. However, the concentration of Cu is reduced at high temperatures, resulting in a decrease in the lattice constant. As concurrent thermophysical properties are probed, these preliminary structure and composition experiments demonstrate the capabilities of this technique to determine the composition–processing–structure–properties of metal alloys for AM. 
    more » « less
  4. Refractory high-entropy alloys (RHEAs) are promising high-temperature structural materials. Their large compositional space poses great design challenges for phase control and high strength-ductility synergy. The present research pioneers using integrated high-throughput machine learning with Monte Carlo simulations supplemented by ab initio calculations to effectively navigate phase selection and mechanical property predictions, developing single-phase ordered B2 aluminum-enriched RHEAs (Al-RHEAs) demonstrating high strength and ductility. These Al-RHEAs achieve remarkable mechanical properties, including compressive yield strengths up to 1.7 gigapascals, fracture strains exceeding 50%, and notable high-temperature strength retention. They also demonstrate a tensile yield strength of 1.0 gigapascals with a ductility of 9%, albeit with B2 ordering. Furthermore, we identify valence electron count domains for alloy ductility and brittleness with the explanation from density functional theory and provide crucial insights into elemental influence on atomic ordering and mechanical performance. The work sets forth a strategic blueprint for high-throughput alloy design and reveals fundamental principles governing the mechanical properties of advanced structural alloys. 
    more » « less
  5. Designing alloys for additive manufacturing (AM) presents significant opportunities. Still, the chemical composition and processing conditions required for printability (ie., their suitability for fabrication via AM) are challenging to explore using solely experimental means. In this work, we develop a high-throughput (HTP) computational framework to guide the search for highly printable alloys and appropriate processing parameters. The framework uses material properties from stateof- the-art databases, processing parameters, and simulated melt pool profiles to predict processinduced defects, such as lack-of-fusion, keyholing, and balling. We accelerate the printability assessment using a deep learning surrogate for a thermal model, enabling a 1,000-fold acceleration in assessing the printability of a given alloy at no loss in accuracy when compared with conventional physics-based thermal models. We verify and validate the framework by constructing printability maps for the CoCrFeMnNi Cantor alloy system and comparing our predictions to an exhaustive ’in-house’ database. The framework enables the systematic investigation of the printability of a wide range of alloys in the broader Co-Cr-Fe-Mn-Ni HEA system. We identified the most promising alloys that were suitable for high-temperature applications and had the narrowest solidification ranges, and that was the least susceptible to balling, hot-cracking, and the formation of macroscopic printing defects. A new metric for the global printability of an alloy is constructed and is further used for the ranking of candidate alloys. The proposed framework is expected to be integrated into ICME approaches to accelerate the discovery and optimization of novel high-performance, printable alloys. 
    more » « less