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8 records

NASA NTRS2026

Diffusion Quantum Monte Carlo Calculation of the Austenite and Martensite Phases of NiTi

NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.

Kevin K Ly↗

NASA NTRS2006

Effect of Thermomechanical Processing on the Microstructure, Properties, and Work Behavior of a Ti50.5 Ni29.5 Pt20 High-Temperature Shape Memory Alloy

TiNiPt shape memory alloys are particularly promising for use as solid state actuators in environments up to 300 °C, due to a reasonable balance of proper ties, including acceptable work output. However, one of the challenges to commercializing a viable high-temperature shape memory alloy (HTSMA) is to establish the appropriate primary and secondary processing techniques for fabrication of the material in a required product form such as rod and wire. Consequently, a Ti 50.5 Ni 29.5 Pt 20 alloy was processed using several techniques including single- pass high-temperature extrusion, multiple-pass high-temperature extrusion, and cold drawing to produce bar stock, thin rod, and fine wire, respectively. The effects of heat treatment on the hardness, grain size, room temperature tensile properties, and transformation temperatures of hot- and cold-worked material were examined. Basic tensile properties as a function of temperature and the strain-temperature response of the alloy under constant load, for the determination of work output, were also investigated for various forms of the Ti 50.5 Ni 29.5 Pt 20 alloy, including fine wire.

Grain Size↗

NASA NTRS2005

Properties and Potential of Two (Ni,Pt)Ti Alloys for Use as High-Temperature Actuator Materials

The microstructure, transformation temperatures, basic tensile properties, shape memory behavior, and work output for two (Ni,Ti)Pt high-temperature shape memory alloys have been characterized. One was a Ni 30 Pt 20 Ti 50 alloy (referred to as 20Pt) with transformation temperatures above 230 °C and the other was a Ni 20 Pt 30 Ti 50 alloy (30Pt) with transformation temperatures above 530 °C. Both materials displayed shape memory behavior and were capable of 100% (no-load) strain recovery for strain levels up to their fracture limit (3-4%) when deformed at room temperature. For the 20Pt alloy, the tensile strength, modulus, and ductility dramatically increased when the material was tested just above the austenite finish (A f ) temperature. For the 30Pt alloy, a similar change in yield behavior at temperatures above the A f was not observed. In this case the strength of the austenite phase was at best comparable and generally much weaker than the martensite phase. A ductility minimum was also observed just below the A s temperature in this alloy. As a result of these differences in tensile behavior, the two alloys performed completely different when thermally cycled under constant load. The 20Pt alloy behaved similar to conventional binary NiTi alloys with work output due to the martensite-to-austenite transformation initially increasing with applied stress. The maximum work output measured in the 20Pt alloy was nearly 9 J/cm 3 and was limited by the tensile ductility of the material. In contrast, the martensite-to-austenite transformation in the 30Pt alloy was not capable of performing work against any bias load. The reason for this behavior was traced back to its basic mechanical properties, where the yield strength of the austenite phase was similar to or lower than that of the martensite phase, depending on temperature. Hence, the recovery or transformation strain for the 30Pt alloy under load was essentially zero, resulting in zero work output.

High-Temperature Shape Memory Alloy↗

DOE OSTI2024

Probing the fatigue enhancement in a thermally aged cast duplex stainless steel by in situ neutron diffraction

After long-term thermal aging at 400 °C for 3000 h and 10,000 h, a cast duplex stainless steel exhibits promoted fatigue performance, including enhanced three-stage cyclic hardening and prolonged fatigue life. Utilizing in situ neutron diffraction, the phase-specific stresses are resolved, and their evolutions over entire fatigue cycling reveal the underlying mechanisms of the fatigue enhancement. It is found that the ferrite phase bears a much higher stress than the austenite matrix under both as-received and aged conditions. The enhanced cyclic hardening in Stage I is attributed to the strengthening of both phases due to thermal aging, while the enhancement in Stage III results from the martensitic transformation induced strengthening. The fatigue life is prolonged thanks to the cyclic hardening and the delay of martensitic transformation in the austenite phase after thermal aging.

Yu, Dunji [ORNL] (ORCID:0000000189467851)↗

NASA NTRS2008

Characterization of a New Phase and Its Effect on the Work Characteristics of a Near-Stoichiometric Ni30Pt20Ti50 High-Temperature Shape Memory Alloy (HTSMA)

A new phase observed in a nominal Ni 30 Pt 20 Ti 50 (at.%) high temperature shape memory alloy has been characterized using transmission electron microscopy and 3-D atom probe tomography. This phase forms homogenously in the B2 austenite matrix by a nucleation and growth mechanism and results in a concomitant increase in the martensitic transformation temperature of the base alloy. Although the structure of this phase typically contains a high density of faults making characterization difficult, it appears to be trigonal (-3m point group) with a o ~1.28 nm and c o ~1.4 nm. Precipitation of this phase increases the microhardness of the alloy substantially over that of the solution treated and quenched single-phase material. The effect of precipitation strengthening on the work characteristics of the alloy has been explored through load-biased strain-temperature testing in the solution-treated condition and after aging at 500 ºC for times ranging from 1 to 256 hours. Work output was found to increase in the aged alloy as a result of an increase in transformation strain, but was not very sensitive to aging time. The amount of permanent deformation that occurred during thermal cycling under load was small but increased with increasing aging time and stress. Nevertheless, the dimensional stability of the alloy at short aging times (1-4 hours) was still very good making it a potentially useful material for high-temperature actuator applications.

A Garg↗

DOE OSTI2026

Compatibility of Type 304H Stainless Steel in Static Molten FLiBe for Inertial Confinement Fusion Reactors: Role of Impurities and Redox Control

Molten fluoride salts, such as FLiBe (LiF-BeF2), are promising candidates for tritium breeding and heat transfer in fusion reactors, but corrosion of structural materials remains a major challenge. This study investigates the corrosion behavior of austenitic stainless steel 304H in purified and NiF2-containing FLiBe at 500°C and 600°C, focusing on the effects of impurities and redox control. Exposure to purified FLiBe resulted in the concurrent depletion of Cr, Mn, and Fe, with corrosion at 500 °C dominated by the combined oxide formation and elemental dissolution, while at 600°C elemental depletion was predominant. The addition of a controlled NiF2 impurity significantly accelerated corrosion at both temperatures, demonstrating the sensitivity of 304H to the salt redox state. Beryllium additions were effective in mitigating corrosion for both baseline and NiF2-containing FLiBe; minimal depletion of Cr, Mn, and Fe occurred with Be additions as low as 2.5 mg (147 wppm), and no NiBe intermetallics formed at 5 mg (294 wppm), indicating that small Be inventories can provide substantial protection without deleterious phase formation. Thermodynamic equilibrium and coupled thermodynamic-kinetic analyses at the salt-alloy interface suggested low corrosion rates in systems with limited hydrogen fluoride (HF) generation, highlighting the importance of salt redox control. Estimates for a Be addition rate were calculated for the HYLIFE-II fusion reactor that can mitigate corrosion-induced degradation, assuming complete conversion of tritium to tritium fluoride (TF). Overall, 304H shows reasonable compatibility with FLiBe under optimized redox conditions. These results provide quantitative guidance for material selection and salt management in fusion blanket and heat exchanger systems and motivate validation under flowing, nonisothermal, and irradiated conditions.

Pillai, Rishi [ORNL] (ORCID:0000000243688197)↗

DOE OSTI2026

Influence of microstructure and temperature on impact toughness of H13 steel produced by binder jet additive manufacturing

Binder Jet Additive Manufacturing (BJAM) is a promising manufacturing pathway to produce H13 steel dies and tooling with complex geometries for applications in high pressure aluminum die casting, hot stamping, and injection molding. While fully dense H13 coupons produced using BJAM have been subjected to detailed microstructure characterization, properties which are critical and relevant to the aforementioned applications, such as impact toughness, have not been reported. Here, this work evaluated the influence of microstructural characteristics and test temperature on the impact toughness of H13 produced by BJAM. Coupons were produced from three different powder size distributions (PSDs), with nominal powder size ranges of −22 μm, 10-32 μm, and 15-53 μm. Coupons were printed, sintered, hot isostatically pressed (HIPed), and heat treated by quenching and tempering. After HIPing, the measured porosities of the different PSDs were all less than 0.015 vol%. The −22 μm PSD BJAM material exhibited the best impact toughness of all three PSDs across the entire test temperature range from 25 to 400 °C, and also exhibited an ambient temperature impact toughness of 10.9 J at a hardness of 46 HRC, equivalent to minimum threshold requirements for premium grade H13. However, all three BJAM PSDs exhibited moderately lower impact toughness than premium grade wrought H13 from RT to 400 °C. We attribute this in part due to the very large prior-austenite grain (PAG) sizes near 400 μm and segregation from former liquid channels leading to greater amounts of carbide precipitation on PAG boundaries. Technical pathways for optimizing processing and chemistry of BJAM H13 to further improve impact toughness are discussed.

Binder jet additive manufacturing↗

DOE OSTI2026

Influence of Powder Characteristics and Processing Methods on Creep Performance of Powder Metallurgy Hot Isostatic Pressed SS316

The U.S. nuclear energy expansion goals are driving the demand for manufacturing routes that can rapidly produce large, complex, near net shape components. Powder metallurgy hot isostatic pressing (PM HIP) is an advanced manufacturing technique that can be economically scaled-up, while alleviating the supply chain challenges that forging and casting face in terms of cost and lead time constraints. This makes PM-HIP a viable technology to aid and accelerate large-scale part manufacturing for nuclear applications. However, large-scale qualification and deployment of this technology require a thorough understanding of the influence of powder feedstock quality, powder handling history, hot isostatic pressing (HIP) parameters, and subsequent heat treatment on microstructural evolution and elevated temperature mechanical performance. The present work focusses on 316 austenitic stainless steel (SS316) which is most commonly used in high temperature environments for nuclear applications Results from this study show that PM HIPed SS316 meets ASME tensile requirements at room temperature and at elevated temperature. However, creep performance of PM-HIPed SS316 remains inferior to its wrought counterpart, demonstrating that tensile performance alone is not a reliable metric for long duration high temperature integrity. Further, this report delineates powder derived microstructural features that govern creep damage, with key evidences pointing to “microstructural inheritance” from gas atomized powder feedstocks. Commercial SS316 powders of varying chemical compositions and recycling histories were studies, and the results showed large differences in elemental segregation, oxide surface layers and secondary phase distributions. Multi-scale characterization revealed segregation of chromium, molybdenum, manganese and silicon at the boundaries and the precipitation of manganese-, silicon-, and molybdenum-oxides. During HIP consolidation, these surface oxides transform into decorated prior particle boundaries (PPBs) and grain boundary inclusions that persist through conventional post-HIP solution annealing treatment. The retained oxides in post-HIP microstructures were found to influence grain growth, precipitation behavior, and ultimately creep cavitation and fracture. Such post-HIP heat treatments are therefore limited by a complex trade-off between grain growth, and oxide coarsening which aggravate creep damage by acting as nucleation sites for cavities. The objective of this work is to establish an integrated processing–structure–property framework for PM-HIP 316 stainless steel by investigating the influence of powder feedstock characteristics in pre- and post-HIP processing as well as to understand the significance of post-HIP heat treatment on microstructural evolution and creep properties. The results from this report emphasize the significance of powder feedstock integrity in improving creep performance of PM-HIPed SS316, by highlight the effect of rapid solidification, elemental segregation, oxide formation and powder recycling on microstructural defect inheritance following HIP consolidation. Rather than considering HIP processing, solution annealing, and mechanical performance independently, this report treats powder production, HIP consolidation, post-HIP thermal processing, and creep deformation as interconnected stages within a continuous metallurgical process. The resulting framework will provide a scientific basis for developing feedstock engineering strategies capable of improving long-term reliability of PM-HIP stainless steels and accelerating their qualification for advanced nuclear applications.

Ajjarapu, Pavan [Oak Ridge National Laboratory (OR↗