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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Additional considerations in analytical solution for time-dependent heat conduction in a three-dimensional multilayer sphere

This work presents an analytical method to solve the heat conduction equation in three dimensions for problems consisting of multilayer concentric spheres. The method can be used to treat time-varying heat conduction problems where the heat source that drives the transient is time-invariant. Equally applicable to all Poisson-type problems with concentric spherical geometry, the method consists of representing the solution as a summation of weighted eigenfunctions. The weights for each eigenfunction are computed algebraically. Previous work has already established the core constituents of the methodology. The current work augments the existing methods by including consideration of nonzero interface resistance between layers and explicit discussion on the boundary condition homogenization required to treat inhomogeneous problems. Also, two demonstration problems are presented. One demonstration problem is based on the method of manufactured solutions and therefore allows for comparison with exact expressions for the solution temperature distribution. The second, more complex, demonstration problem relies on the finite element method for comparisons. The expected convergence behavior is observed for both demonstration problems.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Effects of HCP/BCC element ratios on the room-temperature tensile properties of Ti-Zr-Hf-Nb-Ta refractory high-entropy alloys

Equiatomic and non-equiatomic Ti-Zr-Hf-Nb-Ta refractory high-entropy alloys (RHEAs) were arc melted, homogenized, cold rolled, and recrystallized to produce single-phase, body-centered cubic (BCC), microstructures with weak texture and equiaxed grains 76–199 μm in size. Here, the non-equiatomic alloys had either a 60:40 or 80:20 atomic ratio of hexagonal close-packed (HCP) elements (Ti + Zr + Hf) to BCC elements (Nb + Ta). Alloy compositions were measured after thermomechanical processing to determine the concentrations of the major (substitutional) and minor (interstitial) elements. We investigated how elastic constants and uniaxial tensile properties were affected by changes in the relative concentrations of the constituent elements at fixed HCP:BCC ratios. Yield strengths ranged from 801 to 922 MPa and ultimate tensile strengths from 815 to 933 MPa. Good agreement is obtained between the experimental yield strengths and those predicted by a strength theory based on edge dislocations indicating that the observed compositional effects are due to their effects on shear modulus and volume misfit. Fracture occurred by dimpled rupture with fracture strains of 19.4%–25.7%, but uniform strains were an order of magnitude lower at 1.1%–3.2%, calling into question the useable ductility (prior to necking) of RHEAs considered to be ductile based on their fracture strain. Contrary to predictions in the literature that HCP elements promote ductility, our present results show that increasing the HCP:BCC ratio decreases both the total strain and the uniform strain. Similar trends were not evident in the yield or ultimate strengths; rather, strengths were affected mainly by shear modulus and volume misfit.

BCC high-entropy alloys↗
DOE OSTI2024

Reactive flash sintering and characterization of bulk high entropy nitrides

Over the past decade, numerous high-entropy ceramics have been synthesized, often displaying attractive properties. However, the study on facile preparation of bulk high entropy nitrides (HEN) are limited, despite its broad potential applications. This research demonstrates for the first time rapid fabrication (within ∼6 min) of bulk high-entropy nitrides, especially (Al 0.17 Nb 0.17 Ta 0.17 Ti 0.32 Zr 0.17 )N, from binary nitride powder mixtures using a highly efficient reactive flash sintering (RFS) technique. X-ray diffraction (XRD) shows the HENs from RFS are near single-phase solid solutions with a rock salt crystal structure, while in situ synchrotron study carried out during RFS captured in real time the formation of HEN, which was preserved upon cooling, suggesting thermodynamic stability of the HEN phase, even up to extreme pressure (∼35.6 GPa). Microscopic analyses using SEM, STEM, and EDS reveal decent uniformity for HEN with no obvious segregation of elements, even to submicron scale. Some properties of the obtained bulk HENs are consistent with expectations. For example, their hardness and bulk modulus are close to estimates based on rule-of-mixture (ROM) values from the constituent binary nitrides. Meanwhile, some other measured properties seem to show surprises. For example, the fracture toughness for the HENs (e.g., 7.81 ± 1.40 MPa•m 1/2 or higher) turns out to be more than double of the expected ROM estimates. The significantly improved fracture toughness is attributed to the observed nano-layered structure of the HENs, despite the HEN’s cubic crystal structure and high hardness. In addition, the oxidation resistance shows improvement up till ∼800°C, possibly due to Ta doping that suppress oxygen vacancy formation in the oxide shell, while the 5-metal HEN of (Al 0.17 Nb 0.17 Ta 0.17 Ti 0.32 Zr 0.17 )N displays superconductivity (T c of ∼5–7 K from magnetism and resistivity measurements, slightly lower than ROM estimate), despite insulating property of starting AlN. Furthermore, future study combining experimental investigation using larger samples to confirm the observed increase in fracture toughness and oxidation resistance, theoretical modeling at different length scale, and more detailed structural/chemical characterization, especially at the atomic scale, are all needed to fully understand the inter-relationships between composition, processing, structure, and novel properties for these HENs and the development of related new materials for different applications.

Flash sintering↗
DOE OSTI2024

Spectral induced polarization (SIP) measurements across a PFAS-contaminated source zone

There is a pressing need for the development of field-scale, in situ screening technologies for assessing variations in aqueous film forming foam (AFFF) concentrations in soils at former fire training and storage sites. Field-scale Spectral Induced Polarization (SIP) geophysical measurements were acquired on a transect crossing an AFFF source zone. Soil samples were acquired from ten locations and used to determine variations in poly- and per-fluoroalkyl substances (PFAS) concentrations in soils and soil texture. These samples were also used to create triplicate soil columns for laboratory-grade SIP measurements. Field and laboratory observations provide evidence that SIP measurements are sensitive to the concentration of AFFF constituents associated with the pore surface in soils. The phase of the SIP measurements on the laboratory samples was linearly correlated with total soil-sorbed PFAS concentration. The phase from the field SIP measurements was highest over the location of maximum PFAS concentration measured on the laboratory samples, although a significant correlation between field-measured phase and laboratory-measured total PFAS concentration was not established. The sensitivity of the SIP response to the removal of soil PFAS using a methanol wash procedure (total PFAS concentration drop of 366 ppb) adds evidence for the case for SIP characterization of AFFF source zones. The results of these studies suggest that SIP might be developed into a field-scale technology for rapid, indirect assessment of AFFF source zones. Such a technology could improve the effectiveness of AFFF source zone characterization at reduced costs.

58 GEOSCIENCES↗
DOE OSTI2025

Elucidating the effect of minor-actinide addition on fuel-cladding chemical interaction in an HT-9 clad U-Pu-Zr metallic fuel irradiated to 6.15 at.% burnup in EBR-II

Scanning and transmission electron microscopy (S/TEM) were used to characterize the local fuel-cladding chemical interaction (FCCI) in one cross-section taken from a HT-9 clad U-20.3Pu-10Zr-1.2Am-1.3Np (in wt.%) fuel irradiated to 6.15 at.% burnup with inner cladding temperatures ranging between 460–490 °C. Results showed that the total interaction thickness between fuel and cladding was <10 µm. Fe infiltrated the fuel to form U-Zr-Fe phases while fuel elements or lanthanides did not infiltrate into the cladding. Np was not involved in the formation of any phases in the examined locations; however, Am played a role by forming a ∼2 µm thick homogeneous Fe-Pu-Am planar front at the inner cladding wall. An oxidized Na layer existed in the fuel-cladding gap with Fe and lanthanide particles dispersed within, suggesting Na could facilitate the transport of fuel and cladding constituents. Secondary phases, including an FCC Zr-rich phase, lanthanide phases, and α’-Cr(Fe) were identified in the outer fuel and FCCI regions. Furthermore, this study suggests that, for the irradiation conditions specific to this cross-section, minor actinides have little impact on FCCI behavior beyond what would be observed in typical HT-9 clad U-Pu-Zr fuel pins systems.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Nanoscale clustering and fission product segregation in irradiated annular U-10Zr fuel

Zirconium (Zr) is added to uranium (U) to improve the performance of metallic fuel for fast reactor applications. This study employs transmission electron microscopy (TEM) and atom probe tomography (APT) to investigate nanoscale clustering of U and Zr, as well as segregation of fission products (FPs), in annular U-10Zr (in weight) metallic fuel irradiated at the Advanced Test Reactor (ATR). The results reveal variations in the shape, size, and chemical composition of clusters at different radial locations within the irradiated fuel cross-section. Zr-rich clusters exhibit higher concentration of FPs compared to U-rich clusters, potentially due to the co-precipitation of Zr and FPs in the fuel matrix during cooling at the end-of-life. In conclusion, this work complements the study of fuel constituents and fission product distribution across multiple length scales in irradiated U-10Zr metallic fuel.

Atom probe tomography↗
DOE OSTI2024

Computational modeling of coupled mechanical damage and electrochemistry in ternary oxide composite electrodes

Performance degradation of ternary layered oxide cathodes largely originates from their loss of structural integrity in cyclic usage. Mechanical damage, such as intergranular fracture of the active particles, is not only a mechanical cleavage process but also interferes with electrochemical kinetics such as infiltration of liquid electrolyte, surface corrosion of the constituent primary particles, and may eventually isolate the primary grains from the electron conducting network. Here, in this work, we develop a computational framework that integrates electrochemistry of a LiNi x Mn y Co 1−x−y O 2 (NMC) composite cathode with mechanical damage of the active particles. To fully examine the intricate chemomechanical behavior of the electrode, we evaluate the effects of the anisotropic material properties, the influence of mechanical potential on Li transport, and the concurrent intergranular fracture and electrolyte penetration along the grain boundaries upon multiple cycles. Electrolyte infiltration benefits capacity retention but aggravates further mechanical damage by corrosion. Structural failure mostly occurs in the first charging due to the anisotropic mechanical strain between the primary grains, while the resulting damage remains stable in the later few cycles. The results are consistent with experimental observations and the integration of electrochemistry and mechanical failure enables a step further understanding of the complex mechanism of battery degradation.

Battery degradation↗
DOE OSTI2026

FIB-ToF-SIMS characterization of irradiated U-10Zr

Post-irradiation examination (PIE) is critical for the performance assessment and qualification of nuclear fuels. Secondary ion mass spectrometry (SIMS) is a powerful materials characterization technique that allows for elemental and isotopic mapping with a depth resolution greater than EDS and EPMA. However, it has not yet been applied to PIE of metallic nuclear fuel. Here, in this work, we characterize an fast neutron spectrum irradiated U-10Zr fuel sample using a time-of-flight SIMS (ToF-SIMS) system connected to a FIB/SEM system, which allows for flexible sample analysis compared to a dedicated ToF-SIMS instrument. Analysis of the resulting hyperspectral micrograph data was aided by the development of an unsupervised machine learning (ML) algorithm that iterates on existing methods to segment the 3D micrographic datasets based on the similarity of mass spectra. The results showed that the FIB-ToF-SIMS instrument was potentially capable of spatially resolving closed fission gas bubbles in 3D by continued ion sputtering of the analyzed volume. Additionally, the ML algorithm proved useful in revealing the chemical segregation of light fission products (those with an atomic mass between approximately 85–105 amu, such as ruthenium and rhodium) plus matrix zirconium, heavy fission products (those with an atomic mass between approximately 135–150 amu, such as the lanthanides) and uranium. Future studies are planned to conduct FIB-ToF-SIMS analysis on more irradiated U-Zr samples to study the constituent redistribution.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Uncertainty quantification for competing failure mechanisms in unidirectionally reinforced carbon–carbon composites

Microstructure-informed finite element models play a key role in the carbon–carbon composite design process. Variability in manufacturing process parameters and experimental limitations introduce model parameter uncertainty. This study quantifies the effect of model parameter uncertainty on transverse tensile fracture behavior and proposes a methodology to predict the failure mode based on competing microscale damage mechanisms. Finite element simulations incorporate fiber–matrix interface debonding with cohesive zones and matrix damage with a smeared crack band approach in a unidirectional carbon–carbon composite. Results from a variance-based global sensitivity analysis identifies interfacial and matrix damage parameters as the primary source of variability in fracture behavior. Sobol’ indices indicate that matrix and cohesive zone strengths contribute 94% of the variance in the effective ultimate stress. A local analysis elucidates the relationship between these constituent strength parameters and failure mode by estimating the probability of cohesive, matrix, and mixed-mode dominated failure. Based on the results for 4000 simulations, 93% exhibit mixed-mode or interfacial dominated failure, which underscores the crucial role of fiber–matrix interface debonding in the transverse tensile failure of carbon–carbon composites. These uncertainty quantification results facilitate more efficient model calibration and provide a framework for microstructure-informed failure predictions in the face of manufacturing-induced uncertainty.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermodynamic modeling of CsF with LiF-NaF-KF for molten fluoride-fueled reactors

Gibbs energy models were developed to describe the thermochemical behavior of CsF in molten FLiNaK (46.5LiF-11.5NaF-42KF mol%), a proposed molten salt reactor (MSR) fuel solvent and coolant, as cesium is of concern due to its high radiotoxicity and volatility. Initially, it was necessary to obtain a more accurate Gibbs energy function for CsF which required fitting parameters to reported vapor pressures over condensed phase CsF. The pseudo-binary systems CsF-LiF, CsF-NaF and CsF-KF were then evaluated utilizing phase equilibria and enthalpy of mixing (Δ mix H) values, together with original differential scanning calorimetry (DSC) measurements performed for the CsF-LiF and CsF-KF systems. The CsF-LiF-NaF, CsF-LiF-KF and CsF-NaF-KF pseudo-ternary system representations were obtained by interpolation of the constituent pseudo-binary systems, with DSC measurements performed for the CsF-LiF-NaF system to corroborate the calculated liquidus temperature. Ultimately, the pseudo-ternary systems were interpolated to obtain Gibbs energy models for the pseudo-quaternary CsF-LiF-NaF-KF system, supported by DSC measurements at low CsF compositions (1–10 mol%), yielding computed equilibria and cesium-containing vapor pressures that compare favorably with reported values. In conclusion, the Molten Salt Thermal Properties Database – Thermochemical (MSTDB-TC) was subsequently expanded to include these Gibbs energy models allowing description of the thermochemical behavior of the CsF-LiF-NaF-KF system.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Preparation and electrochemical properties of high-entropy oxide Li x (CrMnCoNiZn) 3-x O 4

High-entropy oxides (HEOs) have gained significant attention as anode materials for lithium-ion batteries (LIBs) due to their high theoretical specific capacity, synergistic effects of constituent elements, and enhanced structural stability induced by high entropy. Here, this study investigates the electrochemical properties of a novel series of HEOs, Li x (CrMnCoNiZn) 3-x O 4 , synthesized via the sol-gel method. As lithium content increases, the electrochemical lithium storage performance of the HEOs improves, attributed to the rise in high-valence states and oxygen vacancies. The high valence state of elements facilitates greater electron transfer, enhancing the specific capacity during lithium insertion. Additionally, a higher concentration of oxygen vacancies boosts ionic conductivity and lithium ion diffusion kinetics, leading to superior electrochemical performance. Among the synthesized materials, Li 0.11 (CrMnCoNiZn) 2.89 O 4 exhibited the best performance, delivering a discharge capacity of 365 mAh·g −1 after 100 cycles at 100 mA·g −1 , 257 mAh·g −1 after 1000 cycles at 1 A·g −1 , and a rate capacity of 196 mAh·g −1 at 2 A·g −1 . The Li + diffusion coefficient reached 2.78 × 10 −15 cm 2 ·s −1 . This work not only deepens the understanding of HEOs' electrochemical behavior in LIBs but also provides insights into the impact of lithium ion substitution on their performance.

25 ENERGY STORAGE↗
DOE OSTI2025

A machine learning framework for accurate and robust analysis of radiation detector pulses

The microscopic properties of atomic nuclei are used to study various scientific questions. They are essential for understanding the fundamental forces of nature and the chemical evolution of the universe. Detecting decay radiation from radioactive nuclei makes it possible to probe these fundamental nuclear properties. Detector waveform traces may contain additional information about the radiation. Generally, advanced signal processing techniques are needed to extract this additional information, often involving fitting the waveform with model response functions using non-linear least-squares optimization with second-order gradient methods. While this is a powerful technique, it is also computationally expensive, leading to slow processing time, which scales with the volume of data. To address this problem, we have developed a machine learning (ML) approach that infers the characteristics of traces from a model detector response function. In particular, we are interested in classifying whether a single recorded trace consists of one or two pulse constituents and estimating the pulse parameters. Furthermore, our proposed ML method can precisely extract the pulses’ parameters, such as energy and timing information, and accurately classify the pulse multiplicity of a trace. Unlike non-learning-based approaches, our ML approach uses neural networks that are significantly faster at inference, as they do not require any optimization during this stage.

Curve fitting↗
DOE OSTI2024

Direct WIMP detection rates for transitions in isomeric nuclei

The direct detection of dark matter constituents, in particular the weakly interacting massive particles (WIMPs), is central to particle physics and cosmology. In this paper we study WIMP induced transitions from isomeric nuclear states for two possible isomeric candidates: 180 Ta and 166 Ho. The experimental setup, which can measure the possible decay of 180 Ta induced by WIMPs, was proposed. The corresponding estimates of the half-life of 180 Ta are given in the sense that the WIMP-nucleon interaction can be interpreted as ordinary radioactive decay.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Do we owe our existence to gravitational waves?

Two heavy elements essential to human biology are thought to have been produced by the astrophysical r-process, which occurs in neutron-rich environments: iodine is a constituent of thyroid hormones that affect many physiological processes including growth and development, body temperature and heart rate, and bromine is essential for tissue development and architecture. Collisions of neutron stars (kilonovae) have been identified as sources of r-process elements including tellurium, which is adjacent to iodine in the periodic table, and lanthanides. Neutron-star collisions arise from energy loss due to gravitational-wave emission from binary systems, leading us to suggest that gravitational waves have played a key role in enabling human life by producing iodine and bromine. We propose probing this proposal by searching in lunar material for live 129 I deposited by a recent nearby kilonova explosion.

Human biochemistry↗
DOE OSTI2024

Beam energy dependence of net-hyperon yield and its implication on baryon transport mechanism

In the constituent quark model, each quark inside a baryon carries 1/3 unit of the baryon number. An alternative picture exists where the center of a Y-shaped topology of gluon fields, called the baryon junction, carries a unit baryon number. Studying baryon transport over a large rapidity gap (δy) in nuclear collisions provides a possible tool to distinguish these two pictures. A recent analysis of global data on net-proton yield at mid-rapidity in Au+Au collisions showed an exponential dependence on δy and the exponential slope does not vary with event centrality, favoring the baryon junction picture. Since junctions are flavor blind, hyperons – baryons containing valence strange quarks – are expected to exhibit a similar behavior as the proton. This study aims to test this prediction by analyzing hyperon yields in Au+Au collisions at various energies. We observe that net-hyperon yields, after correcting for the strangeness production suppression, adhere to the expected exponential form. The extracted slope parameters for net-Λ, net-$Ξ$ and net-Ω are consistent with each other and with those of net-proton within uncertainties, and exhibit no centrality dependence. Various implementations of the PYTHIA event generator, primarily based on valence quarks for baryon transport, are unable to simultaneously describe the slope parameters for all baryons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Medium-induced modification of groomed and ungroomed jet mass and angularities in Pb–Pb collisions at $\sqrt{s_{NN}}$ = 5.02 TeV

The ALICE Collaboration presents a new suite of jet substructure measurements in Pb–Pb and pp collisions at a center-of-mass energy per nucleon pair $\sqrt{s_{NN}}$ = 5.02 TeV. These measurements provide access to the internal structure of jets via the momentum and angle of their constituents, probing how the quark–gluon plasma modifies jets, an effect known as jet quenching. Jet grooming additionally removes soft wide-angle radiation to enhance perturbative accuracy and reduce experimental uncertainties. We report the groomed and ungroomed jet mass m jet and jet angularities λ$^{κ}_{α}$ using κ = 1 and α > 0. Charged-particle jets are reconstructed at midrapidity using the anti-k T algorithm with resolution parameter R = 0.2. A narrowing of the jet mass and angularity distributions in Pb–Pb collisions with respect to pp is observed and is enhanced for groomed results, confirming modification of the jet core. By using consistent jet definitions and kinematic cuts between the mass and angularities for the first time, previous inconsistencies in the interpretation of quenching measurements are resolved, rectifying a hurdle for understanding how jet quenching arises from first principles and highlighting the importance of a well-controlled baseline. These results are compared with a variety of theoretical models of jet quenching, providing constraints on jet energy-loss mechanisms in the quark–gluon plasma.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Investigating charm quark energy loss in medium with the nuclear modification factor of D 0 -tagged jets

The nuclear modification factor R AA of charm jets, identified by the presence of a D 0 meson among the jet constituents, has been measured for the first time in Pb–Pb collisions at a centre-of-mass energy per nucleon pair $\sqrt{s_{NN}} = 5.02$ TeV with the ALICE detector at the LHC. The D 0 mesons and their charge conjugates are reconstructed from the hadronic decay D 0 → K – π + . Jets are reconstructed from D 0 -meson candidates and charged particles using the anti-k T algorithm with jet resolution parameter R = 0.3, in the jet transverse momentum (p T ) range 5 < $p^{ch}_{T}$$^{jet}$ < 50 GeV/c and pseudorapidity |η ch jet| < 0.6. A hint of reduced suppression in the charm-jet R AA is observed in comparison to inclusive jets in central Pb–Pb collisions with a significance of about 2σ in 20 < $p^{ch}_{T}$$^{jet}$ < 50 GeV/c, suggesting the in-medium energy loss to depend on both the difference between quark and gluon coupling strength (Casimir colour-charge effect) and quark mass (dead-cone effect). The data are compared with model calculations that include mass effects in the in-medium energy loss. Several state-of-the-art models are consistent with the data, with the LIDO model providing the best description of the data in the common kinematic range of inclusive and D 0 -tagged jets, highlighting the role of mass effects in interpreting the results.

Acharya, S. (ORCID:0000000292135329)↗