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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Recent Developments of Commercially Fabricated Horn Antenna-Coupled Transition-Edge Sensor Bolometer Detectors for Next-Generation Cosmic Microwave Background Polarimetry Experiments

Here we report on the successful fabrication of orthomode transducer-coupled transition-edge sensor (TES) bolometer arrays for cosmic microwave background (CMB) polarimetry experiments with the superconductor electronics fabrication facility at SEEQC Inc. Commercial microfabrication foundry could provide increase in detector fabrication throughput for a next-generation CMB experiment, CMB-S4, that would deploy approximately one order of magnitude more detectors than current CMB experiments. We also developed TES bolometers with two TESs in series that have two different superconducting temperatures (Tc) using a superconducting proximity effect between niobium (Nb) and aluminum-manganese (AlMn) alloy. We will discuss the motivation, design considerations, fabrication processes, test results, and how industrial detector fabrication could be a path to fabricate hundreds of detector wafers for future CMB polarimetry experiments and other experiments that require TESs and superconducting RF circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Iron-Based Chalcogenide Spin Ladder BaFe2 X 3 (X = Se,S)

The relevance of magnetic, structural, orbital, and charge degrees of freedom in the iron-based superconductors (FeSCs) and related materials occupies a central focus in condensed matter physics. While the majority of iron-based materials exhibit the same two-dimensional iron square lattice structural motif, a family of AFe2X3 (X = Se,S) compounds introduces a quasi-one-dimensional (1D) ladder motif, which resembles the two-legged spin ladder copper oxide materials. Furthermore, unlike most parent compounds of FeSCs, the members of this spin ladder family are insulators. Recently, a superconducting transition has been observed under pressure with Tc up to 24 K, similar to the pressure-induced superconductivity in the copper oxide ladder Sr14-xCaxCu24O41 material, stimulating much interest. Here, we review the magnetic, structural, and electronic properties in this family, particularly in the BaFe2X3 series tuned by pressure and by chemical substitution. The established pressure-temperature (P-T) and carrier concentration-temperature (x-T) phase diagrams in related materials provide useful information to extend the variety of high-temperature superconductors and compare with other FeSCs. We also review some essential information about analogous square lattice FeSCs.

Wu, S↗
DOE OSTI2022

On the Analysis of the Tin-Inside-H 3 S Mössbauer Experiment

Here, a simple analysis is presented of the particular experiment used to prove the bulk nature of very-high-Tc superconductivity in H 3 S compound under ultra-high pressure. In the experiment, an internal magnetic field was sensed by the synchrotron Mössbauer spectroscopy in tin placed inside the H 3 S sample. The experiment showed peculiar anisotropy with respect to the direction of the applied field at first sight. By considering actual experimental geometries and parameters of the experiment, we show that this particular observation is consistent with the expectations for a regular type-II superconductor with Meissner expulsion and pinning.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Simple separation of technetium from molybdenum for tracer isotope production

A procedure for the separation of technetium isotopes from bulk molybdenum was developed in nitric acid media. After irradiation of nat Mo foils, and dissolution in H 2 O 2 , the solution is acidified to 2 M HNO 3 , and anion exchange resin is used to separate technetium from molybdenum. The procedure is simple, requiring only basic laboratory equipment and, with a two-column separation, the technetium yield is high (~ 85%) with extremely high purity (< 0.1 ppm nat Mo). In conclusion, this is ideally suited for laboratory production of technetium tracer isotopes, particularly 95m Tc.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

A new method for predicting hurricane rapid intensification based on co-occurring environmental parameters

Abstract Tropical cyclones (TCs) that undergo Rapid Intensification (RI) can pose serious socioeconomic threats and can potentially result in major damaging impacts along coastal areas. Considering the complexity of various physical mechanisms that play a role in RI and its relatively low probability of occurrence, predicting RI remains a major operational challenge. In this study, we propose a simple deterministic binary classification model based on the co-occurrence of environmental parameters (MCE) to predict an RI event. More specifically, the model determines the possibility of RI based on a simple count of the number of environmental predictors deemed favorable and unfavorable. We compare our model results to logistic regression (LR) and decision tree (DT) models, well-trained using the same set of environmental predictors. Results reveal that at an RI threshold of 30 kt, the MCE exhibits a critical success index score of 0.233 which is 14% higher than DT and LR model performances. When tested at multiple RI thresholds, the MCE displays relatively higher skill scores across multiple metrics. By simultaneously evaluating the favorability of predictors, the MCE is able to comparatively reduce the number of false alarms predicted when certain predictors are unfavorable toward RI. Interpreting these model results to gain a physical understanding of how co-occurring environmental parameters can affect RI, we highlight future directions for using models based on the MCE approach to understand and predict TC RI as well as other meteorological extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Tunable phase structure in NaNbO 3 ceramics by grain-size effect, electric field and heat treatment

Large polarization and strain change during antiferroelectric - ferroelectric phase transition under electric field is the foundation for realizing excellent electrical properties in antiferroelectric ceramics, therefore, the adjustment of antiferroelectricity and clarification of the corresponding mechanism is the foundation for controlling electrical properties. NaNbO3 is the most complex perovskite system showing multiple antiferroelectric phases in a wide temperature range, in which the antiferroelectricity shows obvious instability with changing external and internal conditions, namely the antiferroelectric phase can be adjusted by grain-size effect, electric field and heat treatment. According to the systematical study in terms of the Rietveld refinement of synchrotron XRD and Raman, NaNbO3 exhibits a ferrielectric P21ma structure at room temperature, the ferroelectric component of which increases with decreasing grain size. Two antiferroelectric tetragonal phases exist around Curie temperature TC before the entrance of antiferroelectric R phase zone, while an antiferroelectric monoclinic phase, which can be maintained to room temperature by annealing treatment, acts as the bridge for the depolarization of the poled NaNbO3 with ferroelectric Q phase. A detailed phase diagram mainly focused on the antiferroelectric phase zones of NaNbO3 is plotted, which gives a clear understanding about the polymorphic phase transitions under different conditions. Finally, the results concluded in this work would give a clear guidance for designing high-performance NaNbO3-based lead-free ceramics from the point of structure.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Design-informed neutronics assessment of long-lived fission product transmutation in a tokamak fusion reactor blanket

This study presents a neutronics-based assessment of the feasibility and viability of transmuting six major long-lived fission products (LLFPs) from light-water reactors, namely 99 Tc, 129 I, 79 Se, 93 Zr, 126 Sn, and 135 Cs, within the blanket region of a tokamak fusion reactor, using the MIT ARC design as a concrete fusion configuration. Monte Carlo neutronics simulations were performed to evaluate LLFP transmutation and to compare the results with a reference boiling water reactor (BWR). The results indicate that transmutation of all six LLFPs is neutronics-feasible in fusion reactors, with transmutation half-lives significantly shorter than their natural decay half-lives. For elemental targets, transmutation of 135 Cs, 126 Sn, and 93 Zr was found potentially viable, as the net mass transmuted exceeded that achievable in the reference BWR under identical target volume and irradiation time. When isotopically separated targets were considered, transmutation of 126 Sn and 93 Zr appeared potentially viable. A parametric study demonstrated that plasma geometry modifications can enhance local neutron flux, increasing the transmuted 93 Zr mass by approximately 33% and reducing the transmutation half-life from approximately 240 years to 180 years. Repositioning the target and adjusting material layer thickness reduced the transmutation half-life of 93 Zr to 67 years and increased the net mass transmuted by a factor of 50. Furthermore, these results demonstrate that fusion reactors can enable LLFP transmutation beyond the practical limits of thermal fission reactors and highlight the critical role of reactor and blanket design optimization. Engineering and fuel-cycle considerations required for deployment are beyond the scope of this neutronics-focused study.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Eliashberg theory of phonon-mediated superconductivity — When it is valid and how it breaks down

We analyze the validity of Eliashberg theory of phonon-mediated superconductivity in 2D systems in light of recent extensive Monte-Carlo studies of the Holstein model. Conventional wisdom says that Eliashberg theory is applicable as long as vertex corrections remain small. For small ratio of the phonon energy Ω 0 and the Fermi energy E F , this condition is supposed to hold even when the dimensionless electron–phonon coupling λ is larger than one, i.e., in the strong coupling regime. A comparison between various quantities computed in the Migdal approximation and those computed by Quantum Monte Carlo prove that this belief is wrong, and we identify analytically some of the ways in which this breakdown occurs for various ‘‘normal state’’ properties at λ = λ cr , where λ cr = O(1). Here, the breakdown occurs at temperatures high enough that neither superconducting nor charge–density wave correlations extend over any significant range of distances, so it cannot be associated with the onset of an instability toward any of the relevant ordered ground-states — rather it is associated with the local physics of classical bipolaron formation. Still, we show that certain properties, including the superconducting Tc and the superconducting gap structure below T c , can be accurately inferred from the strong-coupling limit of Eliashberg theory at λ ≤ λ cr .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Nematic order driven by superconducting correlations

The interplay of nematicity and superconductivity has been observed in a wide variety of quantum materials. To explore this interplay, we consider a two-dimensional (2D) array of nematogens, local droplets with Z 3 nematicity, coupled to a network of Josephson junction wires. Using finite temperature classical Monte Carlo simulations, we elucidate the phase diagram of this model and show that the development of superconducting correlations and the directional delocalization of Cooper pairs can promote nematogen ordering, resulting in long-range nematic order. We obtain the transport properties of our model within an effective resistor network picture. We discuss these ideas in the context of the 2D electron gas at the (111) KTaO 3 interface and the doped topological insulators Nb x Bi 2 Se 3 and Cu x Bi 2 Se 3 . Overall, our work makes contact with Phil Anderson’s numerous contributions to broken symmetries driven by the saving of kinetic energy, including double exchange ferromagnetism and the interlayer tunneling theory of high Tc csuperconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

High and temperature-insensitive piezoelectric performance in the lead-free Sm-doped BiFeO 3 –BaTiO 3 ceramics with high Curie temperature

Large sensor piezoelectric constant (d 33 = 334 pC/N) and superior actuator piezoelectric constant (d 33 * = 552 pm/V) as well as a high Curie temperature (T C = 454 °C) were obtained simultaneously in the lead-free 0.67Bi 1.03 FeO 3 -0.33Ba 1-x Sm x TiO 3 ceramics. Such an excellent and temperature-insensitive piezoelectric performance with only 10% temperature variation of piezoelectric strain at the range of 25–125 °C is highly desirable for real applications. The structural origin of the enhanced piezoelectric performance is mainly attributed to the morphotropic phase boundary and the highest known tetragonality (c T /a T = 1.02) in such materials. Transmission electron microscopy and electro-mechanical phenomenological theory demonstrate that the superior d 33 and d 33 * are associated with the hybrids nanodomains (60–90 nm) and flattened thermodynamic energy profile owing to the local structure heterogeneity. Furthermore, these results are superior as the piezoelectric properties are temperature-independent and the material has large d 33 *, and high TC compared to other lead-free piezoelectric ceramics.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Plutonium mobilization from contaminated estuarine sediments, Esk Estuary (UK)

Since 1952, liquid radioactive effluent containing 238-242 Pu, 241 Am, 237 Np, 137 Cs, and 99 Tc has been released with authorization from the Sellafield nuclear complex (UK) into the Irish Sea. This represents the largest source of plutonium (Pu) discharged in all western Europe, with 276 kg having been released. In the Eastern Irish Sea, the majority of the transuranic activity has settled into an area of sediments (Mudpatch) located off the Cumbrian coast. Radionuclides from the Mudpatch have been re-dispersed via particulate transport in fine-grained estuarine and intertidal sediments to the North-East Irish Sea, including the intertidal saltmarsh located at the mouth of the Esk Estuary. Saltmarshes are highly dynamic systems which are vulnerable to external agents (sea level change, erosion, sediment supply, and freshwater inputs), and their stability remains uncertain under current sea level rise projections and possible increases in storm activity. In this work, we examined factors affecting Pu mobility in contaminated sediments collected from the Esk Estuary by conducting leaching experiments under both anoxic and oxic conditions. Here, leaching experiments were conducted over a 9-month period and were periodically sampled to determine solution phase Pu via multicollector-inductively coupled plasma-mass spectrometry (MC-ICP-MS), and to measure redox indicators (Eh, pH and extractable Fe(II)). Microbial community composition was also characterized in the sediments, and at the beginning and end of the anoxic/oxic experiments. Results show that: 1) Pu leaching is about three times greater in solutions leached under anoxic conditions compared to oxic conditions, 2) the sediment slurry microbial communities shift as conditions change from anoxic to oxic, 3) Pu leaching is enhanced in the shallow sediments (0–10 cm depth), and 4) the magnitude of Pu leached from sediments is not correlated with total Pu, indicating that the biogeochemistry of sediment-associated Pu is spatially heterogeneous. These findings provide constraints on the stability of redox sensitive Pu in biogeochemically dynamic/transient environments on a timescale of months and suggests that anoxic conditions can enhance Pu mobility in estuarine systems.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2026

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interfacial thermal conductance between multi-layer graphene sheets and solid/liquid octadecane: A molecular dynamics study

Mixtures of paraffin and carbon nanofillers have promising potential for thermal storage, as paraffin (the matrix) possesses high latent heat and the nanofillers compensate for the low thermal conductivity (TC) of paraffin. Understanding thermal transport in these materials is essential for practical applications, as weak thermal transport hinders fast charge/discharge of thermal energy. Here, we use non-equilibrium molecular dynamics (NEMD) simulations to study the interfacial thermal conductance (ITC) between graphene sheets and octadecane (C18H38) matrix under the limiting conditions of the sheets being parallel or perpendicular to the direction of the imposed heat flux. The findings show that the systems containing thin graphene layers exhibit higher values of ITC. This study captures the asymptotic saturation of thermal conductance for the liquid phase of the perpendicular structure. Besides, given the greater number of structured layers of paraffin upon phase change, the ITC for the solid paraffin-graphene system is higher than the conductance of the liquid paraffin-graphene interface. We use the Pearson correlation coefficients of the vibrational power spectrum (VPS) of interfacing materials to explain the orders of magnitude variations of the observed ITC.

25 ENERGY STORAGE↗
DOE OSTI2021

Repeated freeze-thaw cycles increase extractable, but not total, carbon and nitrogen in a Maine coniferous soil

Northeastern North America has been experiencing warmer winters with reduced snow accumulation, with more frequent winter freeze-thaw cycles. We conducted a laboratory experiment to investigate how increased frequency of freeze-thaw cycles (FTC) would alter soil C and N availability. Organic (O) and mineral (B) horizon soils were collected from a coniferous forest in Maine, processed to exclude roots, and then frozen in the laboratory (-10 °C) with one (FTC-1), two (FTC-2), or six (FTC-6) thaw periods. Soils were analyzed for extractable inorganic ammonium (NH4-N), water extractable organic carbon (WEOC), carbon dioxide flux (respiration), and total C and N. Extractable NH4-N increased following FTC, for both horizons. WEOC in O horizons had a lower SUVA254, indicating a stronger microbial influence (i.e., microbial cell lysis) in these soils after FTC. Respiration in O horizon soils decreased post-incubation and did not differ between FTC and Control soils. In the B horizon, however, FTC soils showed greater respiration than Control soils, suggesting that the newly available nutrients may have stimulated microbial activity. In contrast to these results, total C and N remained unaltered by FTC, presumably because the FTC disturbances represented mostly a translocation of C and N from one pool into another, and losses due to respiration were too small to significantly influence the large TC and TN pools. The effect of FTC on NH4-N did not change with FTC frequency, suggesting that a single FTC is sufficient to alter both C and N availability and quality, and that additional FTC may not have a significant further effect. This study provides fresh insights on how organic and mineral soils might respond to increased freeze-thaw frequency in winter.

Patel, Kaizad F.↗
DOE OSTI2021

Unraveling peculiar magnetism and band topology in Mn 3 Sb

Magnetic, pseudogap, topological, magnetostructural, and elastic behaviors of Mn 3 Sb have been unraveled. The ferrimagnetism (FIM) is described by localized and delocalized electron magnetism resulting in different magnetic moments on Mn atoms, confirming the neutron diffraction data. The identified magnetostructural properties are due to the non-equivalent Mn atoms in its lowest symmetry structure. The electronic structure is also unique due to variable valance states of Mn atoms. The magnetic moment (4.10 μB) of non-equivalent Mn1 atom is antiparallely aligned with the magnetic moments (2.34 μB) of Mn 2 and Mn 3 atoms. The estimated Curie temperature, TC, is higher than the room temperature, which may have above the room temperature applications in spintronic devices. The band structure and density of states (DOS) show the characteristics of band topology (opening of a gap in Dirac-like band features) and pseudo-gap, respectively, around the Fermi level. While expanding the unit cell, the tetragonal FIM ground state transforms to the cubic primitive FIM phase, however, the contraction transforms it to the L1 2 ferromagnetic (FM) phase. The estimated elastic constants, bulk to shear modulus ratio, and elastic anisotropy factor indicate that Mn3Sb exhibits mechanically stable, ductile, and anisotropic behaviors, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Hidden first-order phase transitions and large magnetocaloric effects in GdNi 1-x Co x

We report a large magnetocaloric effect tunable between 70 and 115 K in a series of rare earth intermetallic compounds GdNi 1-x Co x with x varying from 0 to 0.15 that manifest rather unconventional second-order phase transitions with concurrent changes in both magnetic and crystallographic sublattices. While the Curie temperature, TC, linearly increases with x(Co), the maximum isothermal entropy change induced by magnetic field varying between 0 and 50 kOe slightly decreases from 14 J/kg K at 71 K when x(Co) = 0 to10 J/kg K at 115 K when x(Co) = 0.15. Additionally, the temperature-averaged entropy change figures of merit calculated at temperature spans of 10 K for all examined compositions are comparable to those of the best known magnetocaloric materials that exhibit second-order phase transitions, including elemental Gd and La(Fe,Co,Si) 13 alloys. Through a detailed analysis of the magnetic field-induced entropy changes along with assessment of critical exponents we explore the role magneto-elastic coupling plays in controlling magnetocaloric properties of GdNi 1-x Co x compounds. We also formulate a model based on the mean field theory approximation to describe both magnetic and magnetocaloric properties of the title materials in qualitative agreement with experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Accumulation mechanisms for contaminants on weak-base hybrid ion exchange resins

Mechanism of hexavalent chromium removal (Cr(VI) as CrO 4 2- ) by the weak-base ion exchange (IX) resin ResinTech® SIR-700-HP (SIR-700) from simulated groundwater is assessed in the presence of radioactive contaminants iodine-129 (as IO 3 - ), uranium (U as uranyl UO 2 2+ ), and technetium-99 (as TcO 4 - ), and common environmental anions sulfate (SO 4 2- ) and chloride (Cl-). Batch tests using the acid sulfate form of SIR-700 demonstrated Cr(VI) and U(VI) removal exceeded 97%, except in the presence of high SO 4 2- concentrations (536 mg/L) where Cr(VI) and U(VI) removal decreased to ≥ 80%. However, Cr(VI) removal notably improved with co-mingled U(VI) that complexes with SO 4 2- at the protonated amine sites. These U–SO 4 2- complexes are integral to U(VI) removal, as confirmed by the decrease in U(VI) removal (<40%) when the acid chloride form of SIR-700 was used instead. Solid phase characterization revealed that CrO 4 2- is removed by IX with SO 4 2- complexes and/or reduced to amorphous Cr(III)(OH) 3 at secondary alcohol sites. Tc(VII)O 4 - and I(V)O 3 - also undergo chemical reduction, following a similar removal mechanism. Oxyanion removal preference is determined by the anion reduction potential (CrO 4 2 - >TcO 4 - >IO 3 - ), geometry, and charge density. For these reasons, 39% and 69% of TcO 4 - and 17% and 39% of IO 3 - are removed in the presence and absence of Cr(VI), respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Metamagnetism and kinetic arrest in a long-range ferromagnetically ordered multicaloric double perovskite Y 2 CoMnO 6

A systematic magnetic study of the double perovskite oxide Y 2 CoMnO 6 (YCMO) has been performed. A monoclinic P21/n phase of YCMO was synthesized using a sol-gel method. Neutron diffraction (ND) measurements evidence the onset of long-range ferromagnetic (FM) ordering at TC ~ 76 K, which persists down to 5 K. The presence of 25% antisite disorder, estimated from the ND data, leads to the appearance of short-range antiferromagnetic (AFM) interactions. The existence of thermal hysteresis due to competing interactions between FM and AFM phases is observed in the M vs. T measurements. The pinning of magnetic domain walls at the Co/Mn antiphase boundaries results in a metamagnetic-like behavior. The field dependence of thermomagnetic irreversibility and the nature of virgin curves indicate the occurrence of a kinetic arrest phenomenon, which is further verified via cooling and heating of the system in an unequal fields (CHUF) protocol. In full agreement with the ND data, a detailed analysis of critical exponents near the paramagnetic (PM)-FM phase transition also establishes YCMO as a long-range interacting mean-field system. A close examination of the temperature- and field-dependent magnetic entropy change yields an in-depth understanding of coexisting magnetically ordered and disordered phases in YCMO, leading to a comprehensive magnetic phase diagram of this multifunctional double perovskite system.

36 MATERIALS SCIENCE↗