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1. In Situ X-ray Radiography and Computational Modeling to Predict Grain Morphology in β-Titanium during Simulated Additive Manufacturing

   https://doi.org/10.3390/met12071217  

   Jasien, Chris; Saville, Alec; Becker, Chandler Gus; Klemm-Toole, Jonah; Fezzaa, Kamel; Sun, Tao; Pollock, Tresa; Clarke, Amy J. (July 2022, Metals)

   The continued development of metal additive manufacturing (AM) has expanded the engineering metallic alloys for which these processes may be applied, including beta-titanium alloys with desirable strength-to-density ratios. To understand the response of beta-titanium alloys to AM processing, solidification and microstructure evolution needs to be investigated. In particular, thermal gradients (Gs) and solidification velocities (Vs) experienced during AM are needed to link processing to microstructure development, including the columnar-to-equiaxed transition (CET). In this work, in situ synchrotron X-ray radiography of the beta-titanium alloy Ti-10V-2Fe-3Al (wt.%) (Ti-1023) during simulated laser-powder bed fusion (L-PBF) was performed at the Advanced Photon Source at Argonne National Laboratory, allowing for direct determination of Vs. Two different computational modeling tools, SYSWELD and FLOW-3D, were utilized to investigate the solidification conditions of spot and raster melt scenarios. The predicted Vs obtained from both pieces of computational software exhibited good agreement with those obtained from in situ synchrotron X-ray radiography measurements. The model that accounted for fluid flow also showed the ability to predict trends unobservable in the in situ synchrotron X-ray radiography, but are known to occur during rapid solidification. A CET model for Ti-1023 was also developed using the Kurz–Giovanola–Trivedi model, which allowed modeled Gs and Vs to be compared in the context of predicted grain morphologies. Both pieces of software were in agreement for morphology predictions of spot-melts, but drastically differed for raster predictions. The discrepancy is attributable to the difference in accounting for fluid flow, resulting in magnitude-different values of Gs for similar Vs. 

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2. Strength can be controlled by edge dislocations in refractory high-entropy alloys

   https://doi.org/10.1038/s41467-021-25807-w  

   Lee, Chanho; Maresca, Francesco; Feng, Rui; Chou, Yi; Ungar, T.; Widom, Michael; An, Ke; Poplawsky, Jonathan D.; Chou, Yi-Chia; Liaw, Peter K.; et al (December 2021, Nature Communications)

   Abstract Energy efficiency is motivating the search for new high-temperature (high-T) metals. Some new body-centered-cubic (BCC) random multicomponent “high-entropy alloys (HEAs)” based on refractory elements (Cr-Mo-Nb-Ta-V-W-Hf-Ti-Zr) possess exceptional strengths at high temperatures but the physical origins of this outstanding behavior are not known. Here we show, using integrated in-situ neutron-diffraction (ND), high-resolution transmission electron microscopy (HRTEM), and recent theory, that the high strength and strength retention of a NbTaTiV alloy and a high-strength/low-density CrMoNbV alloy are attributable to edge dislocations. This finding is surprising because plastic flows in BCC elemental metals and dilute alloys are generally controlled by screw dislocations. We use the insight and theory to perform a computationally-guided search over 10 7 BCC HEAs and identify over 10 6 possible ultra-strong high-T alloy compositions for future exploration. 

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3. Role of Al additions in secondary phase formation in CoCrFeNi high entropy alloys

   https://doi.org/10.1063/5.0117280  

   Anber, Elaf_A; Smith, Nathan_C; Liaw, Peter_K; Wolverton, Christopher_M; Taheri, Mitra_L (October 2022, APL Materials)

   AlxCoCrFeNi 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, AlxCoCrFeNi 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 AlxCoCrFeNi 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. 

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4. Microstructures and Properties of the Low-Density Al15Zr40Ti28Nb12M(Cr, Mo, Si)5 High-Entropy Alloys

   https://doi.org/10.3390/met12030496  

   Li, Yasong; Liaw, Peter K.; Zhang, Yong (March 2022, Metals)

   Low-density materials show promising prospects for industrial application in engineering, and have remained a research hotspot. The ingots of Al15Zr40Ti28Nb12Cr5, Al15Zr40Ti28Nb12Mo5 and Al15Zr40Ti28Nb12Si5 high-entropy alloys were prepared using an arc melting method. With the addition of the Cr, Mo, and Si, the phase structures of these alloys changed to a dual phase. The Cr and Mo promote the formation of the B2 phase, while the Si promotes the formation of a large amount of the silicides. The compression yield strengths of these alloys are ~1.36 GPa, ~1.27 GPa, and ~1.35 GPa, respectively. The addition of Si and Cr significantly reduces the compression ductility, and the Al15Zr40Ti28Nb12SiMo5 high-entropy alloy exhibits excellent comprehensive mechanical properties. This work investigated the influence of Cr, Mo, and Si on the phase structures and properties of the low-density Al-Zr-Ti-Nb high-entropy alloys, providing theoretical and scientific support for the development of advanced low-density alloys. 

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5. Charge Transport in the A ₆ B ₂ O ₁₇ (A = Zr, Hf; B = Nb, Ta) Superstructure Series

   https://doi.org/10.1149/1945-7111/ad2d90  

   Miruszewski, Tadeusz; Mielewczyk-Gryń, Aleksandra; Jaworski, Daniel; Rosenberg, William Foute; McCormack, Scott J; Gazda, Maria (March 2024, Journal of The Electrochemical Society)

   The electrical properties of the entropy stabilized oxides: Zr₆Nb₂O₁₇, Zr₆Ta₂O₁₇, Hf₆Nb₂O₁₇and Hf₆Ta₂O₁₇were characterized. The results and the electrical properties of the products (i.e. ZrO₂, HfO₂, Nb₂O₅and Ta₂O₅) led us to hypothesize the A₆B₂O₁₇family is a series of mixed ionic-electronic conductors. Conductivity measurements in varying oxygen partial pressure were performed on A₆Nb₂O₁₇and A₆Ta₂O_17.The results indicate that electrons are involved in conduction in A₆Nb₂O₁₇while holes play a role in conduction of A₆Ta₂O₁₇. Between 900 °C–950 °C, the charge transport in the A₆B₂O₁₇system increases in Ar atmosphere. A combination of DTA/DSC and in situ high temperature X-ray diffraction was performed to identify a potential mechanism for this increase. In-situ high temperature X-ray diffraction in Ar does not show any phase transformation. Based on this, it is hypothesized that a change in the oxygen sub-lattice is the cause for the shift in high temperature conduction above 900 °C–950 °C. This could be:(i)Nb(Ta)⁴⁺- oxygen vacancy associate formation/dissociation,(ii)formation of oxygen/oxygen vacancy complexes(iii)ordering/disordering of oxygen vacancies and/or(iv)oxygen-based superstructure commensurate or incommensurate transitions. In-situ high temperature neutron diffraction up to 1050 °C is required to help elucidate the origins of this large increase in conductivity. 

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