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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

On the relationship between precipitation extreme and local temperature over eastern China based on convection permitting simulations: roles of different moisture processes and precipitation types

The Clausius–Clapeyron (CC) scaling, which indicates a roughly 7% increase in saturated water vapor per 1 °C increase in temperature, can serve as a strong constraint linking the intensity of precipitation extremes and local temperature. However, the relationship between precipitation extreme and local temperature (referred to as the PE-T relationship) does not always follow the CC scaling and is highly dependent on climate regimes. In this study, we investigated the impacts of different moisture processes and precipitation types on the PE-T relationship over eastern China during the summertime based on convection-permitting model simulations. Consistent with observations, the simulated intensity of precipitation extremes increases with temperature at a rate close to CC (double-CC) scaling below (above) 20 °C. When the temperature exceeds 25 °C, precipitation intensity starts to drop. Precipitation extremes are mainly contributed by the stratiform, MCS (i.e., mesoscale convective system) convective, and non-MCS convective precipitation at low (< 20 °C), medium (20–25 °C), and high (> 25 °C) temperatures, respectively, suggesting that the double-CC scaling occurs when convective types become dominant, while the negative scaling at high temperatures is attributed to the reduced horizontal scale of convection. Corresponding to the reduced intensity of precipitation at high temperatures, there are stronger divergence and subsidence in the low-level atmosphere, which is probably caused by the net cooling associated with the enhanced melting and evaporation of falling hydrometeors due to the lower relative humidity in the low-level atmosphere. Overall, our findings contribute to a deeper understanding of the temperature dependence of precipitation extremes in eastern China.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Tailoring Negative Thermal Expansion via Tunable Induced Strain in La–Fe–Si-Based Multifunctional Material

Zero thermal expansion (ZTE) composites are typically designed by combining positive (PTE) with negative thermal expansion (NTE) materials acting as compensators and have many diverse applications, including in high-precision instrumentation and biomedical devices. La(Fe 1-x ,Si x )13-based compounds display several remarkable properties, such as giant magnetocaloric effect and very large NTE at room-temperature. Both are linked via strong magnetovolume coupling, which leads to sharp magnetic and volume changes occurring simultaneously across first-order phase transitions; the abrupt nature of these changes makes them unsuitable as thermal expansion compensators. To make these materials more useful practically, the mechanisms controlling the temperature over which this transition occurs and the magnitude of contraction need to be controlled. In this work, ball-milling was used to decrease particles and crystallite sizes and increase the strain in LaFe 11.9 Mn 0.27 Si 1.29 H x alloys. Such size and strain tuning effectively broadened the temperature over which this transition occurs. The material’s NTE operational temperature window was expanded, and its peak was suppressed by up to 85%. This work demonstrates that induced strain is the key mechanism controlling these materials’ phase transitions. This allows the optimization of their thermal expansion towards room-temperature ZTE-applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

“Godzilla,” the Extreme African Dust Event of June 2020: Origins, Transport, and Impact on Air Quality in the Greater Caribbean Basin

In June 2020, the tropical Atlantic and the Caribbean Basin were affected by a series of African dust outbreaks unprecedented in size and intensity. These events, informally named “Godzilla,” coincided with CALIMA, a large field campaign, offering a rare opportunity to assess the impact of African dust on air quality in the Greater Caribbean Basin. Network measurements of respirable particles (i.e., PM 10 and PM 2.5 ) showed that dust significantly degraded regional air quality and increased the risk to public health in the Caribbean, the southern United States, northern South America, and Central America. CALIMA examined the meteorological context of Godzilla dust events over North Africa and how these conditions might relate to the greatly increased dust emissions and enhanced transport to the Americas. Godzilla was linked to strong pressure anomalies over West Africa, resulting in a large-scale geostrophic wind anomaly at 700 hPa over North Africa. We used surface-based and columnar measurements to test the performance of two frequently used aerosol forecast models: the NASA Goddard Earth Observing System (GEOS) and Weather Research and Forecasting Model coupled with Chemistry (WRF-Chem) models. The models showed some skills but differed substantially between their forecasts, suggesting large uncertainties in these forecasts that are critical for issuing early warnings of health-threatening dust events. Our results demonstrate the value of an integrated approach in characterizing the spatial and temporal variability of African dust transport and assessing its impact on regional air quality. Future studies are needed to improve models and to track the long-term changes in dust transport from Africa under a changing climate.

Aerosols/particulates↗
DOE OSTI2023

Stabilization of colloidal crystals engineered with nucleic acid

A post-synthetic method for stabilizing colloidal crystals programmed from nucleic acid is disclosed herein. In some embodiments, the method relies on Ag + ions to stabilize the particle-connecting nucleic acid duplexes within the crystal lattice, essentially transforming them from loosely bound structures to ones with very strong interparticle links. In some embodiments, the nucleic acid is DNA. Such crystals do not dissociate as a function of temperature like normal DNA or DNA-interconnected colloidal crystals, and they can be moved from water to organic media or the solid state, and stay intact. The Ag + -stabilization of the nucleic acid (e.g., DNA) bonds is accompanied by a nondestructive contraction of the lattice, and both the stabilization and contraction are reversible with the chemical extraction of the Ag + ions, e.g., by AgCl precipitation with NaCl.

Mirkin, Chad A.↗
DOE OSTI2022

Investigation of Microwave Transducers for Linearity Dependence and Applications in Quantum Networking

Quantum devices have the potential to revolutionize applications in computing, communications, and sensing; however, current state-of-art resources must operate at extremely low temperatures, making the routing of microwave control and readout signals challenging to scale. Interest in microwave photonic solutions to this problem has grown in recent years, in which control signals are delivered to the cold stage via optical fiber, where they are converted to electrical signals through photodetection. Overall link performance depends strongly on the characteristics of the photodiode, yet detailed measurements of many detector properties remain lacking at cold temperatures. In this work, we examine and compare the performance of a modified uni-traveling carrier photodiode (MUTC-PD) at both room (300 K) and liquid nitrogen (80 K) temperatures, focusing in particular on responsivity, bandwidth, and linearity. In line with previous work, we find a sharp reduction in responsivity at 1550 nm as temperature decreases, while RF bandwidth remains steady. Interestingly, our linearity tests reveal that the RF output saturates more quickly at 80 K, suggesting reduced linearity with lower temperature, the cause of which is still under investigation. Our results should help contribute to the understanding and future design of highly linear cryogenic quantum links.

Bolton, Summer↗
DOE OSTI2024

Decoding the Pair Distribution Function of Uranium in Molten Fluoride Salts from X-Ray Absorption Spectroscopy Data by Machine Learning

Thermal properties of actinides in molten salts are linked to the strongly disordered local environment of actinide ions. Here, we illustrate both the limitations of the commonly used fitting method for analysis of extended X-ray absorption fine structure (EXAFS) spectra in molten UF 4 and a possible solution using an "objective neural network - EXAFS" (ONNE) method. ONNE provides both extraction of the pair distribution function, as validated by its application to the EXAFS spectra calculated on molecular dynamics trajectory, and the EXAFS data reconstruction. The ONNE analysis of the molten UF4 has revealed reduction of the first nearest neighbor U-F coordination number, expansion of the U-F bond length and smaller contribution to the second shell compared to its crystalline counterpart. This method is therefore an attractive alternative to conventional EXAFS analysis and molecular dynamics simulations for studies of disordered environment of actinides in molten salts.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Leveraging graph clustering techniques for cyber‐physical system analysis to enhance disturbance characterisation

Abstract Cyber‐physical systems have behaviour that crosses domain boundaries during events such as planned operational changes and malicious disturbances. Traditionally, the cyber and physical systems are monitored separately and use very different toolsets and analysis paradigms. The security and privacy of these cyber‐physical systems requires improved understanding of the combined cyber‐physical system behaviour and methods for holistic analysis. Therefore, the authors propose leveraging clustering techniques on cyber‐physical data from smart grid systems to analyse differences and similarities in behaviour during cyber‐, physical‐, and cyber‐physical disturbances. Since clustering methods are commonly used in data science to examine statistical similarities in order to sort large datasets, these algorithms can assist in identifying useful relationships in cyber‐physical systems. Through this analysis, deeper insights can be shared with decision‐makers on what cyber and physical components are strongly or weakly linked, what cyber‐physical pathways are most traversed, and the criticality of certain cyber‐physical nodes or edges. This paper presents several types of clustering methods for cyber‐physical graphs of smart grid systems and their application in assessing different types of disturbances for informing cyber‐physical situational awareness. The collection of these clustering techniques provide a foundational basis for cyber‐physical graph interdependency analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

First-principles insights into Si substitution effects in Sm 2 (Fe,Si) 17 C x magnet

The partial substitution of Fe by Si enhances the phase stability of Sm 2 Fe 17 C x magnets with x > 1.0. Here, we elucidate the Si-substitution scheme and its impact on phase stability and magnetic properties in Sm 2 (Fe,Si) 17 C 3 from first-principles calculations and chemical bonding analysis. The calculated substitution energies for Si at various Fe sites are negative, indicating improved phase stability. Si preferentially substitutes Fe atoms at the 9d site in Sm 2 (Fe,Si) 17 C 3 while it tends to enter the Fe 18h site in Sm 2 (Fe,Si) 17 . This difference in site preference is attributed to the distinct chemical environments surrounding the Fe (Si) sites in the two compounds. Si substitution favors the formation of Sm–Si bonds while minimizing the Si–C and Si–Si interactions. Crystal orbital Hamilton populations and crystal orbital bond index calculations indicate that the partial replacement of Fe with Si strengthens the chemical bonding of Sm–Fe 3 (18f) and Sm–Fe 4 (18h) and improves overall phase stability in Sm 2 (Fe,Si) 17 C 3 . Beyond the dilution effect, Si substitution also reduces the magnetic moments of neighboring Fe atoms, a phenomenon linked to the strong Fe–Si bonding. These findings highlight the dual role of Si in modifying both the structural and magnetic characteristics of Sm 2 Fe 17 -based magnetic compounds.

Chemical bonding↗
DOE OSTI2022

Self-Healing Cements with Improved Toughness at Casing and Formation Interfaces for Subsurface Applications

The goal of this project (developed for Topic 2) is to demonstrate that PNNL’s self-healing cement (US Patent 20180044570A1) is a superior well construction material compared to conventional cement and to accelerate its commercial adoption. The project also enables a pathway toward a rigorous and reproducible EGS development approach that can be extended to high-temperature unconventional oil and gas reservoirs as well as low temperature carbon storage reservoirs. To achieve this goal, the project’s objectives are to answer remaining technical questions and to address identified technical and market barriers. This project involves collaboration between PNNL, ARE, Cyrq Energy (under the auspices of ARE), and RC. This team demonstrates a strong technical partnership, linking theoretical and laboratory expertise with field-based geothermal resource management and well completions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Disentangling the AGN and Star formation Contributions to the Radio–X-Ray Emission of Radio-loud Quasars at 1 < Z < 2

We constrain the emission mechanisms responsible for the prodigious electromagnetic output generated by active galactic nuclei (AGNs) and their host galaxies with a novel state-of-the-art AGN radio-to-X-ray spectral energy distribution model fitting code (ARXSED). ARXSED combines multiple components to fit the spectral energy distributions (SEDs) of AGNs and their host galaxies. Emission components include radio structures such as lobes and jets, infrared emission from the AGN torus, visible-to-X-ray emission from the accretion disk, and radio-to-ultraviolet emission from the host galaxy. Applying ARXSED to the radio SEDs of 20 3CRR quasars at 1 < z < 2 verifies the need for more than a simple power law when compact radio structures are present. The nonthermal emission contributes 91%–57% of the observed-frame 1.25 mm to 850 μm flux, and this component must be accounted for when using these wavelengths to estimate star formation properties. We predict the presence of strong radio-linked X-ray emission in more than half the sample sources. ARXSED estimates median (and the associated first and third quartile ranges) BH mass of ${2.9}_{1.7}^{6.0}\times {10}^{9}\,{M}_{\odot }$ , logarithm of Eddington ratio of $-{1.0}_{-1.2}^{-0.6}$ , and spin of ${0.98}_{0.94}^{0.99}$ for our sample. The inferred AGN torus and accretion disk parameters agree with those estimated from spectroscopic analyses of similar samples in the literature. We present the median intrinsic SED of the luminous radio-loud quasars at 1 < z ≲ 2; this SED represents a significant improvement in the way each component is modeled.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

r -process Nucleosynthesis from Hyperaccreting Neutron Stars in Common Envelopes

We investigate nuclear reactions and feedback in hyperaccreting neutron star environments, considering accretion rates in the range 0.3–3 × 10 4 M ⊙ yr −1 , typical of short-period compact-object binaries in common envelopes. Our models account for weak reactions, neutrino energy loss, nuclear energy release, pair production, degenerate equations of state, and general relativistic hydrodynamics. Depending on the accretion rates, these systems can develop both proton- and neutron-rich atmospheres with strong convective instabilities linking the neutrino sphere to the outgoing accretion shock inside the radiation trapping zone. Convection drives nucleons through multiple heating and cooling cycles, with photodisintegration dominating during the heating phase and heavy element synthesis during the cooling phase, ejecting material with abundances that depend on the accretion rate and depth of the final decompression trajectory. The turbulent nature of convective currents is conducive to creating a wide range of nuclear products through a variety of effects, including nuclear statistical equilibrium freeze-out and the r-, p-, and γ-processes. We also observe a novel multistep process in reheated trajectories, consisting of proton-capture and photodissociation reactions operating on r-process seeds, producing overall neutron-deficient isotopes. A significant amount of infalling gas experiences high entropy and short (millisecond) freeze-out timescales capable of making r-process elements with high overabundances through a disequilibrium effect between neutrons and α-particles that does not require an excess of neutrons.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Emergent interaction-induced topology in Bose-Hubbard ladders

We investigate the quantum many-body dynamics of bosonic atoms hopping in a two-leg ladder with strong on-site contact interactions. We observe that when the atoms are prepared in a staggered pattern with pairs of atoms on every other rung, singlon defects, i.e., rungs with only one atom, can localize due to an emergent topological model, even though the underlying model in the absence of interactions admits only topologically trivial states. This emergent topological localization results from the formation of a zero-energy edge mode in an effective lattice formed by two adjacent chains with alternating strong and weak hoping links (Su-Schrieffer-Heeger chains) and opposite staggering which interface at the defect position. Our findings open the opportunity to dynamically generate nontrivial topological behaviors without the need for complex Hamiltonian engineering. Published by the American Physical Society 2025

Wellnitz, David (ORCID:0000000349788938)↗
DOE OSTI2024

Crystal structure of brimonidine hydrogen tartrate, (C 11 H 11 BrN 5 )(HC 4 H 4 O 6 )

The crystal structure of brimonidine hydrogen tartrate has been solved and refined using synchrotron X-ray powder diffraction data and optimized using density functional techniques. Brimonidine hydrogen tartrate crystallizes in space groupP2 1 (#4) witha= 7.56032(2),b= 7.35278(2),c= 30.10149(9) Å,β= 90.1992(2)°,V= 1673.312(10) Å 3 , andZ= 4 at 295 K. The crystal structure consists of alternating layers of cations and anions parallel to theab-plane. Each of the hydrogen tartrate anions is linked to itself by very strong charge-assisted O–H⋯O hydrogen bonds into chains along thea-axis. Each hydroxyl group of each tartrate acts as a donor in an O–H⋯O or O–H⋯N hydrogen bond. One of these is intramolecular, but the other three are intermolecular. These hydrogen bonds link the hydrogen tartrate anions into layers parallel to theab-plane and also link the anion–cation layers. The protonated N atoms act as donors in N–H⋯O or N–H⋯N hydrogen bonds to the carboxyl groups of the tartrates and to a ring nitrogen atom. These link the cations and anions, as well as providing cation–cation links. The amino N atoms of the cations form N–H⋯O hydrogen bonds to hydroxyl groups of the anions. The powder pattern has been submitted to ICDD for inclusion in the Powder Diffraction File™ (PDF®)

Materials Science↗
DOE OSTI2020

Pairing instability on a Luttinger surface: A non-Fermi liquid to superconductor transition and its Sachdev-Ye-Kitaev dual

Superconductivity results from an instability of the Fermi surface—contour of poles of the single-particle propagator—to an infinitesimally small attraction between electrons. Here, we instead discuss the analogous problem on a model Luttinger surface, or contour of zeros of the Green function. At zero temperature ($β → \infty$) and a critical interaction strength ($u_{c∞}$) characterized by the residue of self-energy pole, we find that the pair susceptibility diverges leading to a superconducting instability. We evaluate the pair fluctuation partition function and find that the spectral density in the normal state has an interaction-driven, power-law $\frac{1}{\sqrt{ω}}$ type, van-Hove singularity (vHS), indicating non-Fermi liquid (NFL) physics. Crucially, in the strong coupling limit ($βu \gg 1$), the leading-order fluctuation free-energy terms in the normal state of this NFL-SC transition resembles the equivalent [$\textit{O}(1)$] terms of the Sachdev-Ye-Kitaev (SYK) model. This free-energy contribution takes a simple form $–βF = βu_{c∞} – γ \text{ln}(βu_{c∞}$), where $\gamma$ is a constant equal to $\frac{1}{2}$. Weak impurity scattering ($τ \gg β^{–1}$) leaves the low-energy spectral density unaffected but leads to an interaction-driven enhancement of superconductivity. Our results in this work shed light on the role played by order-parameter fluctuations in providing the key missing link between Mott physics and strongly coupled toy models exhibiting gravity duals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Small Molecule Activation with Intramolecular “Inverse” Frustrated Lewis Pairs

The intramolecular “inverse” frustrated Lewis pairs (FLPs) of general formula 1-BR 2 -2-[(Me 2 N) 2 C=N]-C 6 H 4 (3-6) [BR 2 = BMes 2 (3), BC 12 H 8 , (4), BBN (5), BBNO (6)] were synthesized and structurally characterized by multinuclear NMR spectroscopy and X-ray analysis. Furthermore, these novel types of pre-organized FLPs, featuring strongly basic guanidino units rigidly linked to weakly Lewis acidic boryl moieties via an ortho-phenylene linker, are capable of activating H-H, C-H, N-H, O-H, Si-H, B-H and C=O bonds. 4 and 5 deprotonated terminal alkynes to form the zwitterionic borates 1-(RC≡C-BR 2 )-2-[(Me 2 N) 2 C=NH]-C 6 H 4 (R = Ph, H) and reacted with ammonia, BnNH 2 and pyrrolidine, to generate the adducts 1-(R 2 HN→BR 2 )-2-[(Me 2 N) 2 C=NH]-C 6 H 4 , where the N-H functionality is activated by intramolecular H-bond interactions. In addition, 5 was found to rapidly add across the double bond of H 2 CO, PhCHO and PhNCO to form cyclic zwitterionic guanidinium borates in excellent yields. Likewise, 5 is capable of cleaving H 2 , HBPin and PhSiH 3 to form various amino boranes. Collectively, the results demonstrate that these new types of intramolecular FLPs featuring weakly Lewis acidic boryl and strongly basic guanidino moieties are as potent as conventional intramolecular FLPs with strongly Lewis acidic units in activating small molecules.

08 HYDROGEN↗
DOE OSTI2020

Low-energy excitations in type-II Weyl semimetal T d - MoTe 2 evidenced through optical conductivity

Molybdenum ditelluride, MoTe 2 , is a versatile material where the topological phase can be readily tuned by manipulating the associated structural phase transition. The fine details of the band structure of MoTe 2 , key to understanding its topological properties, have proven difficult to disentangle experientially due to the multiband character of the material. Through experimental optical conductivity spectra, we detect two strong low-energy interband transitions. Both are linked to excitations between spin-orbit split bands. The lowest interband transition shows a strong thermal shift, pointing to a chemical potential that dramatically decreases with temperature. Finally, with the help of ab initio calculations and a simple two-band model, we give qualitative and quantitative explanations of the main features in the temperature-dependent optical spectra up to 400 meV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Living on the edge: A continental-scale assessment of forest vulnerability to drought

Globally, forests are facing an increasing risk of mass tree mortality events associated with extreme droughts and higher temperatures. Hydraulic dysfunction is considered a key mechanism of drought-triggered dieback. By leveraging the climate breadth of the Australian landscape and a national network of research sites (Terrestrial Ecosystem Research Network), we conducted a continental-scale study of physiological and hydraulic traits of 33 native tree species from contrasting environments to disentangle the complexities of plant response to drought across communities. Here, we found strong relationships between key plant hydraulic traits and site aridity. Leaf turgor loss point and xylem embolism resistance were correlated with minimum water potential experienced by each species. Across the data set, there was a strong coordination between hydraulic traits, including those linked to hydraulic safety, stomatal regulation and the cost of carbon investment into woody tissue. These results illustrate that aridity has acted as a strong selective pressure, shaping hydraulic traits of tree species across the Australian landscape. Hydraulic safety margins were constrained across sites, with species from wetter sites tending to have smaller safety margin compared with species at drier sites, suggesting trees are operating close to their hydraulic thresholds and forest biomes across the spectrum may be susceptible to shifts in climate that result in the intensification of drought.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Evaluation of the Deletion of MGF110-5L-6L on Swine Virulence from the Pandemic Strain of African Swine Fever Virus and Use as a DIVA Marker in Vaccine Candidate ASFV-G-ΔI177L

African swine fever virus (ASFV) is responsible for an ongoing pandemic that is affecting central Europe, Asia, and recently the Dominican Republic, the first report of the disease in the Western Hemisphere in over 40 years. ASFV is a large, complex virus with a double-stranded DNA (dsDNA) genome that carries more than 150 genes, most of which have not been studied. Here, we assessed the role of the MGF110-5L-6L gene during virus replication in cell cultures and experimental infection in swine. A recombinant virus with MGF110-5L-6L deleted (ASFV-G-ΔMGF110-5L-6L) was developed using the highly virulent ASFV Georgia (ASFV-G) isolate as a template. ASFV-G-DMGF110-5L-6L replicates in swine macrophage cultures as efficiently as the parental virus ASFV-G, indicating that the MGF110-5L-6L gene is nonessential for virus replication. Similarly, domestic pigs inoculated with ASFV-G-ΔMGF110-5L-6L presented with a clinical disease undistinguishable from that caused by the parental ASFV-G, confirming that the MGF110-5L-6L gene is not involved in producing disease in swine. Sera from animals inoculated with an efficacious vaccine candidate, ASFV-G-ΔMGF, strongly recognized the protein encoded by the MGF110-5L-6L gene as a potential target for the development of an antigenic marker differentiation of infected from vaccinated animals (DIVA) vaccine. To test this hypothesis, the MGF110-5L-6L gene was deleted from the highly efficacious ASFV vaccine candidate ASFV-G-ΔI177L, generating the recombinant ASFV-G-DI177L/DMGF110-5L-6L. Animals inoculated with ASFV-G-ΔI177L/DMGF110-5L-6L developed an ASFV-specific antibody response detected by enzyme-linked immunosorbent assay (ELISA). The sera strongly recognized ASFV p30 expressed in eukaryotic cells but did not recognize ASFV MGF110-5L6L protein, demonstrating that deletion of the MGF110-5L-6L gene can enable DIVA capabilities in preexisting vaccine candidates.

59 BASIC BIOLOGICAL SCIENCES↗