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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Topological kinetic crossover in a nanomagnet array

Ergodic kinetics, which are critical to equilibrium thermodynamics, can be constrained by a system’s topology. Here, we studied a model nanomagnetic array in which such constraints visibly affect the behavior of the magnetic moments. In this system, magnetic excitations connect into thermally active one-dimensional strings whose motion can be imaged in real time. At high temperatures, our data showed the merging, breaking, and reconnecting of strings, resulting in the system transitioning between topologically distinct configurations. Below a crossover temperature, the string motion is dominated by simple changes in length and shape. In this low-temperature regime, the system is energetically stable because of its inability to explore all possible topological configurations. This kinetic crossover suggests a generalizable conception of topologically broken ergodicity and limited equilibration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Light element ($$Z=1,2$$) production from spontaneous ternary fission of $$^{252}$$Cf

Abstract The yields of light elements ( $$Z=1,2$$ Z = 1 , 2 ) obtained from spontaneous ternary fission of $$^{252}$$ 252 Cf are treated within a nonequilibrium approach, and the contribution of unstable nuclei and excited bound states is taken into account. These light cluster yields may be used to probe dense matter, and to infer in-medium corrections such as Pauli blocking which is determined by the nucleon density. Continuum correlations are calculated from scattering phase shifts using the Beth-Uhlenbeck formula, and the effect of medium modification is estimated. The relevant distribution is reconstructed from the measured yields of isotopes. This describes the state of the nucleon system at scission and cluster formation, using only three Lagrange parameters which are the nonequilibrium counterparts of the temperature and chemical potentials, as defined in thermodynamic equilibrium. We concluded that a simple nuclear statistical equilibrium model neglecting continuum correlations and medium effects is not able to describe the measured distribution of H and He isotopes. Moreover, the freeze-out concept may serve as an important ingredient to the nonequilibrium approach using the relevant statistical operator concept.

Röpke, G.↗
DOE OSTI2024

$$\Lambda $$ polarization in very high energy heavy ion collisions as a probe of the quark–gluon plasma formation and properties

Abstract We have studied the spin polarization of $$\Lambda $$ Λ hyperons in heavy ion collisions at center-of-mass energies $$\sqrt{s_\textrm{NN}}= 200$$ s NN = 200 GeV and $$\sqrt{s_\textrm{NN}}= 5.02$$ s NN = 5.02 TeV carried out at RHIC and LHC colliders. We have calculated the mean spin vector at local thermodynamic equilibrium, including all known first-order terms in the gradients of the thermo-hydrodynamic fields, assuming that the hadronization hypersurface has a uniform temperature. We have also included the feed-down contributions to the polarization of $$\Lambda $$ Λ stemming from the decays of polarized $$\Sigma ^*$$ Σ ∗ and $$\Sigma ^0$$ Σ 0 hyperons. The obtained results are in good agreement with the data. In general, the component of the spin vector along the global angular momentum, orthogonal to the reaction plane, shows strong sensitivity to the initial longitudinal flow velocity. Furthermore, the longitudinal component of the spin vector turns out to be very sensitive to the bulk viscosity of the plasma at the highest LHC energy. Therefore, the azimuthal dependence of spin polarization can effectively constrain the initial hydrodynamic conditions and the transport coefficients of the quark gluon plasma.

Physics↗
DOE OSTI2023

Active Colloids as Models, Materials, and Machines

Active colloids use energy input at the particle level to propel persistent motion and direct dynamic assemblies. We consider three types of colloids animated by chemical reactions, time-varying magnetic fields, and electric currents. For each type, we review the basic propulsion mechanisms at the particle level and discuss their consequences for collective behaviors in particle ensembles. These microscopic systems provide useful experimental models of nonequilibrium many-body physics in which dissipative currents break time-reversal symmetry. Freed from the constraints of thermodynamic equilibrium, active colloids assemble to form materials that move, reconfigure, heal, and adapt. Colloidal machines based on engineered particles and their assemblies provide a basis for mobile robots with increasing levels of autonomy. This review provides a conceptual framework for understanding and applying active colloids to create material systems that mimic the functions of living matter. We highlight opportunities for chemical engineers to contribute to this growing field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Theoretical Understanding of Effects of Operating Modes on the Performance Durability of Solid Oxide Cells: A Comparison between Potentiostatic and Galvanostatic Operations

In solid oxide cells (SOCs), the choice between galvanostatic (constant current) and potentiostatic (constant voltage) modes does not significantly affect the performance of SOCs as long as the cell components remain unchanged and intact. However, the degradation of cell components, which leads to changes in electrochemical and physical properties of the cell, elevates the importance of the selected operating mode. This paper aims to investigate the effects of galvanostatic and potentiostatic operating modes on the evolving properties of SOCs and their subsequent influence on performance durability. Employing non-equilibrium thermodynamic analysis, a crucial approach for understanding the degradation phenomena within an active electrochemical system, this study aims to provide in-depth insights into how these operating modes affect the longevity and efficacy of SOCs. Key findings include: In cases where oxygen electrode (OE) degradation is accelerated by higher partial pressure of oxygen ( p O 2 ), operating under constant voltage electrolysis can mitigate the high p O 2 at the OE|electrolyte (OE|EL) interface. Conversely, if OE degradation occurs more rapidly under a lower p O 2 , constant current electrolysis is more effective in suppressing degradation by achieving a high p O 2 at the OE|EL interface. For degradation of the fuel electrode (FE) due to higher p O 2 , constant current electrolysis is beneficial for more stable performance, which helps maintain low p O 2 at the FE|EL interface. When FE degradation is accelerated by lower p O 2 , constant voltage electrolysis can avert low p O 2 at the FE|EL interface. In practical scenarios, more complex degradation mechanisms come into play, especially when p O 2 significantly deviates from initial conditions. Degradation in one electrode can influence p O 2 in the other electrode, a phenomenon more pronounced in potentiostatic than in galvanostatic electrolysis.

Electrochemistry↗
DOE OSTI2024

SuperNu Version 4.x

We seek to release SuperNu, Version 4.x, as a continuation of development for the open source SuperNu software. The SuperNu, Version 3.x Monte Carlo radiative transfer code for astrophysical transients was released with GPLv3 copyright, asserted by LANL in 2015. For the next release we have features planned for development , including: opacity implementation (including non-local thermodynamic equilibrium effects), generalized source implementation (e.g. for emulating shock heating in Type II supernovae), 3T (electron, ion, radiation) internal energy update, special relativity corrections through O(v^2/c^2), light polarization (e.g. for comparison to spectroplarimetry observations of supernovae and kilonovae), and infrastructure features (checkpoint and restart of simulations, and tools including setup and Slurm batch scripts and simulation post-processing/analysis scripts). These features are intended to improve the fidelity and/or better understand uncertainty in supernova and kilonova light curve calculations.

Wollaeger, Ryan↗
DOE OSTI2021

Emissions in short-gated ns/ps/fs-LIBS for fuel-to-air ratio measurements in methane-air flames

A study of short-gated 10 nanosecond (ns), 100 picosecond (ps), and 100 femtosecond (fs) laser induced breakdown spectroscopy (LIBS) was conducted for fuel-to-air ratio (FAR) measurements in an atmospheric Hencken flame. The intent of the work is to understand which emission lines are available near the optical range in each pulse width regime and which emission ratios may be favorable for generating equivalence ratio calibration curves. The emission spectra in the range of 550–800 nm for ns-LIBS and ps-LIBS are mostly similar with slightly elevated atomic oxygen lines by ps-LIBS. Spectra from fs-LIBS show the lowest continuum background and prominent individual atomic lines, though have significantly weaker ionic emission from nitrogen. A qualitative explanation based on assumed local thermodynamic equilibrium and electron temperatures calculated by the N I I ( 565 n m ) and N I I ( 594 n m ) emissions is presented. In studying line emission ratios for FAR calculation, it is found that H α <#comment/> ( 656 n m ) / N I I ( 568 n m ) is best for FAR measurements with ns-LIBS and remains viable for ps-LIBS, while H α <#comment/> ( 656 n m ) / O I ( 777 n m ) is optimal for the ps-LIBS and fs-LIBS cases. Due to low continuum background and short time delay for spectra collection, fs-LIBS is very promising for high-speed FAR measurements using short-gated LIBS.

Gragston, Mark (ORCID:0000000324698995)↗
DOE OSTI2023

Comparison of excitation and kinetic temperatures in a laser-produced plasma using absorption spectroscopy

High-resolution tunable laser absorption spectroscopy is used to measure time-resolved absorption spectra for six neutral uranium transitions in a laser-produced plasma. Here analysis of the spectra shows that kinetic temperatures are similar for all six transitions, but excitation temperatures are higher than kinetic temperatures from 10–100 μs, indicating departures from local thermodynamic equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Redox poise in R. rubrum phototrophic growth drives large-scale changes in macromolecular pathways

During photoheterotrophic growth on organic substrates, purple nonsulfur photosynthetic bacteria like Rhodospirillum rubrum can acquire electrons by multiple means, including oxidation of organic substrates, oxidation of inorganic electron donors (e.g., H 2 ), and by reverse electron flow from the photosynthetic electron transport chain. These electrons are stored as reduced electron-carrying cofactors (e.g., NAD(P)H and ferredoxin). The overall ratio of oxidized to reduced cofactors (e.g., NAD(P)+:NAD(P)H), or ’redox poise’, is difficult to understand or predict, as are the cellular processes for dissipating these reducing equivalents. Using physics-based models that capture mass action kinetics consistent with the thermodynamics of reactions and pathways, a range of redox conditions for heterophototrophic growth are evaluated, from conditions in which the NADP+/NADPH levels approach thermodynamic equilibrium to conditions in which the NADP+/NADPH ratio is far above the typical physiological values. Modeling predictions together with experimental measurements indicate that the redox poise of the cell results in large-scale changes in the activity of biosynthetic pathways and, thus, changes in cell macromolecule levels (DNA, RNA, proteins, and fatty acids). Furthermore, modeling predictions indicate that during phototrophic growth, reverse electron flow from the quinone pool is a minor contributor to the production of reduced cofactors (e.g., NAD(P)H) compared to other oxidative processes (H 2 and carbon substrate oxidation). Instead, the quinone pool primarily operates to aid ATP production. The high level of ATP, in turn, drives reduction processes even when NADPH levels are relatively low compared to NADP+ by coupling ATP hydrolysis to the reductive processes. The model, in agreement with experimental measurements of macromolecule ratios of cells growing on different carbon substrates, indicates that the dynamics of nucleotide versus lipid and protein production is likely a significant mechanism of balancing oxidation and reduction in the cell.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Microstructure study of U–35 wt.% Zr alloy after quick annealing at 650 °C

Uranium-35wt.%zirconium (U-35wt.%Zr) alloy was annealed for 1 hour and 24 hours at 650 ºC and characterized to understand the early stage microstructure evolution. Dendritic microstructure with fine (~300 nm in length) α-U precipitates clustered between dendrite branches were observed in the 1-hour annealed sample. After 24-hour annealing 650 ºC, the α-U precipitates coarsened, and the dendritic microstructure disappeared due to microstructure homogenization. Furthermore, microchemical homogenization observed with Energy-Dispersive X-ray Spectroscopy analysis suggests that α-U precipitates are approaching thermodynamic equilibrium in the 24-hour annealed sample. The findings from this study have potential impacts on the manufacturing and computer modeling of metallic nuclear fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Frontier nonequilibrium materials science enabled by ultrafast electron methods

Most innovation in materials science and engineering resides in our ability to understand and control the intimate relationship between the structure of materials and their properties. Conventionally, the only route to discovering innovative new material properties has been to explore the structural and compositional phase space that is accessible at (or near) thermodynamic equilibrium. The characterization, manipulation and, ultimately, control of material properties far from equilibrium offers almost completely untapped possibilities for uncovering novel states and phases of materials. Investigations of materials far from equilibrium require the development of new techniques, which are capable of following dynamic processes in materials with extreme spatiotemporal resolution. Thus, ultrafast electron-based methods have become a major new frontier in materials science due to the capability of following dynamics on time scales as short as femtoseconds with the high spatial resolution and sensitivity afforded by electrons. The articles in this issue provide an exciting cross section of the novel research directions that have been enabled at this frontier. Imaging on ultrafast time scales carries critical information on phase transitions, fundamental processes involved in light-harvesting, magnetic, and plasmonic dynamics, the coupling of electronic and nuclear degrees of freedom in materials and has revealed previously hidden, nonequilibrium metastable states of matter that have no equilibrium analog.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of Impurity Atoms on Thermonuclear Yield

The presence of impurity atoms in an inertial confinement fusion (ICF) implosion can greatly affect the burning of the thermonuclear fuel. This is a serious concern for attaining ignition as high atomic number atoms, such as carbon, can mix into the hot spot and reach the deuterium–tritium (DT) fuel, absorb energy from the implosion, and radiate away that energy. The temperature of the DT fuel drops and reduces the reactivity of the fuel resulting in lower thermonuclear yield. Fuel impurities can also be a useful diagnostic as when higher-Z atoms, such as Ar, Kr, and Xe, are purposefully mixed into the fuel. From the spectra emitted by these atoms, the temperature and density of the fuel can be deduced. The long history of using such tracer atoms by the national ICF program shows the great advances in experimental technique, diagnostic instruments, and atomic-physics modeling over the past 50 years. A particular set of experiments, the “High-Z” campaign, is reviewed in depth as this was the most systematic study of tracer element composition and quantity ever reported. Difficulties in interpreting the results of those experiments due to the limited code capabilities at that time are discussed. A main concern for the High-Z campaign was the then current state of non-Local Thermodynamic Equilibrium (nLTE) atomic physics models. The present state of nLTE modeling and its implementation in Los Alamos’s multi-physics codes is discussed in this report. To further the understanding of the complex interaction of high-Z atoms in the gas, a survey of relevant existing experimental platforms at the National Ignition Facility (NIF) and the Omega Laser Facility are presented along with the current state of pertinent diagnostics at NIF and Omega. This review concludes with a discussion of the trade-off available between temperature and volume of the imploded ICF capsule with the goal of maximizing the total yield.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Opacity Table Generation

Radiation opacity is a key property of material systems which describes the absorption and scattering of photons. Such processes are an important part of energy transport, diagnostics, and astrophysical phenomena. Recent experiments in iron opacity and continuum lowering have sparked renewed interest in and careful vetting of opacity models. Even within the local thermodynamic equilibrium approximation, opacity varies over a large parameter space: material, temperature, density, and energy. Opacity tables that span wide regimes of this parameter space are of prime importance to radiation-hydrodynamics codes. Accurate opacity calculations cannot be achieved inline during a radiation hydrodynamics simulation since they involve accounting for all possible electron transitions of all important atomic states of a thermal ensemble. Livermore’s current framework utilizes precalculated tables at many densities, temperatures, and energies. Last year, the opacity theory team completed an L2 milestone concerning the development of a new code, Opus, which served the dual purpose of creating a modern code infrastructure and version control as well as the basis for training new members of that team, a critical need as key members near or are passed retirement. For the current L2 milestone, we exercised and validated Opus on three elements: boron, carbon, and nitrogen, which have few enough electrons to allow a careful convergence study over many input parameters. Here, we report on the production of new tables, show their convergence with respect to important parameters, state some of their limitations, and document a mostly automated production process. In this section, we address the milestone completion criteria, found on the title page and the subsection headings. In section 2, we validate Opus against Tycho and compare with TabOp and Atomic. Section 3 details some of the physics implemented in Opus and relevant to this report. We then cover details of the density-temperature grid in section 4 and do a spectral comparison between different parameter settings and different codes in section 5. After summarizing these results in section 6, we give instructions how to run the opacity table scripts in appendix A and document the scripts and input/output files in appendix B.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A Novel Catalytic Membrane Reactor for DME Synthesis from Renewable Resources

Production of liquid fuels or chemicals from CO 2 (captured from the air or flue gases) and renewable hydrogen presents a new approach to producing clean fuels domestically. While significant progress has been made in the area of renewable electricity generation from solar and wind, a large gap remains with respect to the production of renewable liquid fuels/chemicals. Other processes for producing liquid fuels/chemicals from renewable electricity are constrained by thermodynamic limitations, making them prohibitively expensive and impractical. The team is overcoming these limitations and developing catalytic membrane reactor processes with high yields and low energy penalties. Supported by the Advanced Research Projects Agency-Energy (ARPA-E) of the US Department of Energy (DOE), GTI Energy and partners have been developing a technology for the production of renewable dimethyl ether (DME) from carbon dioxide (CO 2 ) and renewable hydrogen (H 2 ) using a novel catalytic membrane reactor and demonstration of this system at a scale of 1 kg/day. DME is a clean-burning, non-toxic fuel with a high cetane value (55-60), making it an excellent diesel alternative. DME can be stored as a liquid under moderate pressure, eliminating the need for the high-pressure containers used for CNG or cryogenics, as in the case of LNG. DME is also approved as a renewable fuel under the U.S. Environmental Protection Agency’s Renewable Fuels Standard (RFS), making it eligible for Renewable Identification Numbers (RINs) credits. By producing DME through the catalytic conversion of captured CO 2 and renewable H 2 , this process will produce renewable liquid transportation fuel and a means of large-scale utilization of captured CO 2 . In the DME synthesis process, CO 2 and H 2 are fed to a hollow fiber catalytic membrane reactor at 300-600 psig that contains a bi-functional catalyst that combines two reactions, methanol synthesis (CO 2 + 3H 2 → CH 3 OH + H 2 O) and methanol dehydration (2CH 3 OH → CH 3 OCH 3 + H 2 O), into a one-step process to produce DME. The bifunctional catalyst converts methanol to DME, enabling higher overall CO 2 conversion. A Cu/ZnO/ZrO 2 /Al 2 O 3 (CZZA) catalyst is used for methanol synthesis and is coupled with a zeolite catalyst H-ZSM-5 for dehydration. This one-step process intensifies a process that would otherwise require multiple reaction steps. However, combining these two reactions results in increased water production which inhibits catalytic activity. Here, the Na + -gated, water-transport membrane (Science, vol. 367, pp. 667, 2020), removes water in situ, shifting the thermodynamic equilibrium towards product formation while decreasing kinetic inhibition from water adsorption onto the catalyst surface. The Na + gated, water-transport nanochannel membrane showed H 2 O/CO 2 selectivity of 560 at 250 °C and 300 psig for H 2 O/CO 2 /CO/H 2 /MeOH gas mixtures. The selectivities of H 2 O/H 2 , H 2 O/CO, and H 2 O/MeOH were 190, 170, and 80, respectively. In a laboratory-scale membrane reactor, DME synthesis testing using this membrane, a DME production rate of 440 g DME /kg cat /h was achieved at 260 °C and 550 psig. Compared to the packed bed reactor, the CO 2 conversion and DME production rate in the membrane reactor were 80% and three times higher, respectively. A prototype test system (1 kg/day) was designed, constructed, and tested. A DME production rate of 1.31 kg/day and a DME productivity of 360 g/h/kg were achieved in the prototype membrane reactor. Good stability was demonstrated during 150-h continuous operation and multiple startups/shutdowns tests.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Atomic Mixing of Initially Separated Mixtures

We consider the atomic mixing of two materials, initially separated in space, at fixed temperature– pressure conditions [T, p], and zero mass-mean velocity. Each material is composed of a specified set of atomic species whose density corresponds to the specieswise real Equation of State (EOS) $\tilde{&#961}$ i [T, p]. Because there are no spatial gradients in the mean [T, p] state, the only mechanism for mixing is a specieswise nonequilibrium thermal velocity distribution. The recipe for nonequilibrium species mass fluxes is taken directly from Hirschfelder, Curtiss, and Bird, who express the diffusion velocities in terms of gradients in the molar concentrations and pairwise coefficients of diffusion. EOS data from the SESAME library is used for all species. Data for the specieswise self diffusion coefficients is adopted from the Orbital Free Molecular Dynamics (OFMD) simulations of Ticknor et al.; the so-called Darken approximation is used to express the mutual diffusion coefficients of a mixture in the manner used by White et al. A one-dimensional spatial domain is used; with the left half occupied by one multispecies material and the right half occupied by the other, and with zero–gradient boundary conditions at the ends of the domain. Hence the total mass in the domain is a constant. At time t = 0 the materials are separated. Accordingly, spatial gradients at the separation point are infinite and the species fluxes are also infinite. As t → $\textbf{&#x221E;}$ the spatial gradients approach zero and a uniform set of species concentrations is obtained; at this point the system is said to be at “thermodynamic equilibrium.” Analytic solution of the problem is not possible in general due to the nonlinear concentration dependence of the species fluxes. Hence we utilize the numerical solution apparatus in Mathematica for obtaining accurate time-dependent solutions for the mixing of various initial species masses for conditions of interest in laser-driven Inertial Confinement Fusion. Concentration profiles and the speed of propagation of the mixing fronts are discussed in light of the nonlinearity of the problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Spectroscopic Investigations of Molecular Symmetry Breakdown

This project addressed precise measurements of the spectra of molecules to address fundamental questions in chemical physics in the realm of nuclear spin symmetries and their breakdown in molecules, and parity non-conservation caused by the weak nuclear force. Nuclear spin symmetry is intimately connected to parity in symmetrical molecules and plays a central role in the physical and chemical properties of symmetric molecules, their collisional relaxation, and the establishment of thermodynamic equilibrium in an ensemble. Such effects are present in every molecular system or process, but their small size means they are often only directly observable under special conditions. However, their measurement is of fundamental, and often practical importance, and strongly relates to the themes of coherence in light and matter in the recent Basic Energy Sciences Advisory Committee (BESAC) report “Challenges at the Frontiers of Matter and Energy: Transformative Opportunities for Discovery Science”. We begin by addressing lifetime broadening of spectroscopic lines caused by self-collisions in acetylene, where efficient resonant rotational energy transfer between a pair of molecules separated in energy by rotational quantum number ΔJ = ± 2, can result in a different pressure broadening for ortho- and para- nuclear spin state molecules. This work was prompted by a controversial report [Iwakuni et al. Phys. Rev Letts. 117 (2016) 143902] of the observation of such an effect in the v 1 +v 3 combination band transition of acetylene discussed in the original proposal. After delays caused by the COVID-19 pandemic, we have completed these measurements and a paper was published in the Journal of Chemical Physics describing the work. The measurements pointed out that the use of an approximate model in the analysis of the original work was the cause of the erroneous conclusion that ortho and para acetylene molecules had substantially different collisional lifetime broadening. In the process, much improved broadening measurements have been made that will permit more reliable modeling of the effects in the future. Subsequently, we have completed a new set of measurements of self- and nitrogen-collisional broadening at a series of low and intermediate temperatures to characterize the temperature dependence of the effects in the molecule. This work is currently being analyzed and will be the subject of a paper to be published in the relatively near future. In addition, some very preliminary measurements of CH 4 as described in the proposal, have been completed. If facilities and time permit, these will continue as an undergraduate research project.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Report on use of Inoculants in Missile Application Alloys

This report documents the status of current inoculant research relevant to missile application alloys and MTCR control language. The information is intended to provide data on current inoculants for us determining the current state of development and identifying potential research directions. Although there has been significant scientific research into the development and synthesis of inoculants, their current availability is limited is traditional powder inoculants employed during casting processes. However, research continues the development of complex oxides, ribbon materials, high entropy alloys, and other inoculant product forms, including the use of inoculants in the melt pools produced during additive manufacturing. Research to date has focused primarily on aluminum and steel alloys with emphasis on refining grain structures and evolving equiaxed morphologies while increasing strength and castability. The primary inoculants in steel and cast irons include TiN, SiC, FeSi75, and Ce which have increased strength properties. Chief inoculants for Al alloys often include TiC, SiC, Al3Sc(x) and TiB2 to aid in precipitation and refinement. Ti and Ni alloys have fewer research activities involving inoculants, although TiN, TiB, ZrN and LaB6 (for Ti alloys) and WC, Co3FeNb2, and CrFeNb (for Ni alloys) have been used. Sic, Al2O3, Mg and Ti are key inoculants for Mg alloys. Multiple cast alloys from each of the material classes demonstrated increased strength and performance properties using inoculants, with several approaching requirements applicable to missile service environments. The continued evolution of advanced manufacturing capabilities is making it easier to produce high temperature near net shape structural materials using inoculant powders. These shapes may include the geometric shapes addressed within the MTCR (tubes and limited wall thicknesses). The use of inoculants may enable further development of high temperature alloys into near net shapes traditionally produced via casting processes due to limited ductility. This may decrease material and manufacturing costs. In addition, inoculation provides controlled kinetics and achievable chemical segregation that enables potential for far-from equilibrium thermodynamic microstructures and chemistries that could provide new metastable alloy states and subsequent properties to address co-design engineering constraints, including needs for increased strength and ductility. It is recommended that specific material combinations within these alloy classes be carefully watched as the materials evolve, with controls aimed at those having material properties above current MTCR levels. This specifically includes the use of refractory inoculants in alloys, and the application of inoculants in high strength and high temperature alloys via additive manufacturing processes, with care to link capabilities to product forms similar to the current requirements on tube geometries and material feed stocks. The continued development of nanoparticle inoculants will increase strength and ductility of high strength castings and additive manufactured metallic components. For example, adding inoculants into the casting of maraging steels and other precipitation strengthened alloys may drastically elevate mechanical properties above the control limit of current regulations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Final Scientific/Technical Report Rapid Design and Manufacturing of High-Performance Materials for Turbine Blades

This research demonstrated the concept of carbide precipitation-strengthened refractory high entropy alloys (RHEA). The advantage of a precipitation strengthened alloy is all phases are in thermodynamic equilibrium promoting microstructural stability, and consequently retention of properties at elevated temperatures. Additionally, as with any precipitation strengthened – or age hardened alloy, components can be heat-treated after manufacturing to manipulate the microstructure and optimize properties for performance. This is an advantage of the precipitation strengthened alloys over composites and ceramics materials, where the microstructure and properties are essentially fixed upon the initial materials manufacturing stage. High throughput (HT), multi-scale computer modeling was used to identifying novel RHEA compositions with desired characteristics needed for precipitation strengthening. The results showed that carbides precipitated and consequently, the strength of the alloys (measured in compression) increased after heat-treatment, which is the desired effect. The project also demonstrated the feasibility of producing articles from RHEA by additive manufacturing (AM).

36 MATERIALS SCIENCE↗