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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Nematic transitions in iron pnictide superconductors imaged with a quantum gas

The Scanning Quantum Cryogenic Atom Microscope (SQCRAMscope) uses an atomic Bose–Einstein condensate to measure magnetic fields emanating from solid-state samples. The quantum sensor does so with unprecedented d.c. sensitivity at micrometre resolution, from room to cryogenic temperatures. An additional advantage of the SQCRAMscope is the preservation of optical access to the sample so that magnetometry imaging of, for example, electron transport may be performed in concert with other imaging techniques. Here, we apply this multimodal imaging capability to the study of nematicity in iron pnictide high-temperature superconductors, where the relationship between electronic and structural symmetry breaking resulting in a nematic phase is under debate. We combine the SQCRAMscope with an in situ microscope that measures optical birefringence near the surface. This enables simultaneous and spatially resolved detection of both bulk and near-surface manifestations of nematicity via transport and structural deformation channels, respectively. By performing local measurements of emergent resistivity anisotropy in iron pnictides, we observe sharp, nearly concurrent transport and structural transitions. More broadly, these measurements demonstrate the SQCRAMscope’s ability to reveal important insights into the physics of complex quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Bragg glass signatures in Pd x ErTe 3 with X-ray diffraction temperature clustering

The Bragg glass phase is a nearly perfect crystal with glassy features predicted to occur in vortex lattices and charge-density-wave systems in the presence of disorder. Detecting it has been challenging, despite its sharp theoretical definition in terms of diverging correlation lengths. Here we present bulk probe evidence supporting a Bragg glass phase in the systematically disordered charge-density-wave material of Pd x ErTe 3 . We do this by using comprehensive X-ray data and a machine-learning-based analysis tool called X-ray diffraction temperature clustering (X-TEC). We establish a diverging correlation length in samples with moderate intercalation over a wide temperature range. To enable this analysis, we introduced a high-throughput measure of inverse correlation length that we call peak spread. The detection of Bragg glass order and the resulting phase diagram advance our understanding of the complex interplay between disorder and fluctuations. Moreover, the use of our analysis technique to target fluctuations through a high-throughput measure of peak spread can revolutionize the study of fluctuations in scattering experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A trade-off between plant and soil carbon storage under elevated CO 2

Terrestrial ecosystems remove about 30 per cent of the carbon dioxide (CO 2 ) emitted by human activities each year, yet the persistence of this carbon sink depends partly on how plant biomass and soil organic carbon (SOC) stocks respond to future increases in atmospheric CO 2 . Although plant biomass often increases in elevated CO 2 (eCO 2 ) experiments, SOC has been observed to increase, remain unchanged or even decline. The mechanisms that drive this variation across experiments remain poorly understood, creating uncertainty in climate projections. In this study we synthesized data from 108 eCO 2 experiments and found that the effect of eCO 2 on SOC stocks is best explained by a negative relationship with plant biomass: when plant biomass is strongly stimulated by eCO 2 , SOC storage declines; conversely, when biomass is weakly stimulated, SOC storage increases. This trade-off appears to be related to plant nutrient acquisition, in which plants increase their biomass by mining the soil for nutrients, which decreases SOC storage. We found that, overall, SOC stocks increase with eCO 2 in grasslands (8 ± 2 per cent) but not in forests (0 ± 2 per cent), even though plant biomass in grasslands increase less (9 ± 3 per cent) than in forests (23 ± 2 per cent). Ecosystem models do not reproduce this trade-off, which implies that projections of SOC may need to be revised.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Iron pnictides and chalcogenides: a new paradigm for superconductivity

Superconductivity is a remarkably widespread phenomenon observed in most metals cooled down to very low temperatures. The ubiquity of such conventional superconductors, and the wide range of associated critical temperatures, is readily understood in terms of the celebrated Bardeen Cooper-Schrieffer (BCS) theory. Occasionally, however, unconventional superconductors are found, such as the iron-based materials, which extend and defy this understanding in new and unexpected ways. In the case of the iron-based superconductors, this includes a new appreciation of the ways in which the presence of multiple atomic orbitals can manifest in unconventional superconductivity, giving rise to a rich landscape of gap structures that share the same dominant pairing mechanism. Besides superconductivity, these materials have also led to new insights into the unusual metallic state governed by the Hund’s interaction, the control and mechanisms of electronic nematicity, the impact of magnetic fluctuations and quantum criticality, and the significance of topology in correlated states. Furthermore, over the thirteen years since their discovery, they have proven to be an incredibly fruitful testing ground for the development of new experimental tools and theoretical approaches, both of which have extensively influenced the wider field of quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Unraveling the functional dark matter through global metagenomics

Metagenomes encode an enormous diversity of proteins, reflecting a multiplicity of functions and activities1,2. Exploration of this vast sequence space has been limited to a comparative analysis against reference microbial genomes and protein families derived from those genomes. Here, to examine the scale of yet untapped functional diversity beyond what is currently possible through the lens of reference genomes, we develop a computational approach to generate reference-free protein families from the sequence space in metagenomes. We analyse 26,931 metagenomes and identify 1.17 billion protein sequences longer than 35 amino acids with no similarity to any sequences from 102,491 reference genomes or the Pfam database3. Using massively parallel graph-based clustering, we group these proteins into 106,198 novel sequence clusters with more than 100 members, doubling the number of protein families obtained from the reference genomes clustered using the same approach. We annotate these families on the basis of their taxonomic, habitat, geographical and gene neighbourhood distributions and, where sufficient sequence diversity is available, predict protein three-dimensional models, revealing novel structures. Overall, our results uncover an enormously diverse functional space, highlighting the importance of further exploring the microbial functional dark matter.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Hot droughts in the Amazon provide a window to a future hypertropical climate

Tropical forests represent the warmest and wettest of Earth’s biomes, but with continued anthropogenic warming, they will be pushed to climate states with no current analogue. Droughts in the tropics are already becoming more intense as they occur at successively higher temperatures. Here, in this study, we synthesize multiple datasets to assess the effects of hot droughts on a central Amazon forest. First, a more than 30-year record of annually resolved forest demographic data from a selective logging experiment showed higher tree mortality during intense droughts, particularly among fast-growing pioneer species with low wood density. Second, analysis of ecophysiological field measurements from the 2015 and 2023 El Niño droughts identified a soil moisture threshold beyond which transpiration rates rapidly declined. As rainless days beyond this threshold continued, drought conditions intensified, increasing the potential for tree mortality from hydraulic failure and carbon starvation. Third, analyses from the Coupled Model Intercomparison Project Phase 6 demonstrated that under high-emission scenarios, a large area of tropical forest will shift to a hotter ‘hypertropical’ climate by 2100. Last, under a hypertropical climate, temperature and moisture conditions during typical dry season months will more frequently exceed identified drought mortality thresholds, elevating the risk of forest dieback. Present-day hot droughts are harbingers of this emerging climate, offering a window for studying tropical forests under expected extreme future conditions.

drought↗
DOE OSTI2026

An expanded registry of candidate cis -regulatory elements

Mammalian genomes contain millions of regulatory elements that control the complex patterns of gene expression. Previously, the ENCODE consortium mapped biochemical signals across hundreds of cell types and tissues and integrated these data to develop a registry containing 0.9 million human and 300,000 mouse candidate cis-regulatory elements (cCREs) annotated with potential functions. Here we have expanded the registry to include 2.37 million human and 967,000 mouse cCREs, leveraging new ENCODE datasets and enhanced computational methods. This expanded registry covers hundreds of unique cell and tissue types, providing a comprehensive understanding of gene regulation. Functional characterization data from assays such as STARR-seq, massively parallel reporter assay, CRISPR perturbation and transgenic mouse assays have profiled more than 90% of human cCREs, revealing complex regulatory functions. We identified thousands of novel silencer cCREs and demonstrated their dual enhancer and silencer roles in different cellular contexts. Integrating the registry with other ENCODE annotations facilitates genetic variation interpretation and trait-associated gene identification, exemplified by the identification of KLF1 as a novel causal gene for red blood cell traits. This expanded registry is a valuable resource for studying the regulatory genome and its impact on health and disease.

Moore, Jill E. [Univ. of Massachusetts, Worchester↗
DOE OSTI2024

Harmonized Database of Western U.S. Water Rights (HarDWR) v.1

Abstract In the arid and semi-arid Western U.S., access to water is regulated through a legal system of water rights. Individuals, companies, organizations, municipalities, and tribal entities have documents that declare their water rights. State water regulatory agencies collate and maintain these records, which can be used in legal disputes over access to water. While these records are publicly available data in all Western U.S. states, the data have not yet been readily available in digital form from all states. Furthermore, there are many differences in data format, terminology, and definitions between state water regulatory agencies. Here, we have collected water rights data from 11 Western U.S. state agencies, harmonized terminology and use definitions, formatted them for consistency, and tied them to a Western U.S.-wide shapefile of water administrative boundaries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Competing effects of soil fertility and toxicity on tropical greening

Tropical forests are expected to green up with increasing atmospheric CO 2 concentrations, but primary productivity may be limited by soil nutrient availability. However, rarely have canopy-scale measurements been assessed against soil measurements in the tropics. Here, we sought to assess remotely sensed canopy greenness against steep soil nutrient gradients across 50 1-ha mature forest plots in Panama. Contrary to expectations, increases in in situ extractable soil phosphorus (P) and base cations (K, Mg) corresponded to declines in remotely sensed mean annual canopy greenness (r 2 = 0.77– 0.85; p < 0.1), controlling for precipitation. The reason for this inverse relationship appears to be that litterfall also increased with increasing soil P and cation availability (r 2 = 0.88–0.98; p < 0.1), resulting in a decline in greenness with increasing annual litterfall (r 2 = 0.94; p < 0.1). As such, greater soil nutrient availability corresponded to greater leaf turnover, resulting in decreased greenness. However, these decreases in greenness with increasing soil P and cations were countered by increases in greenness with increasing soil nitrogen (N) (r 2 = 0.14; p < 0.1), which had no significant relationship with litterfall, likely reflecting a direct effect of soil N on leaf chlorophyll content, but not on litterfall rates. In addition, greenness increased with extractable soil aluminum (Al) (r 2 = 0.97; p < 0.1), but Al had no significant relationship with litterfall, suggesting a physiological adaptation of plants to high levels of toxic metals. Thus, spatial gradients in canopy greenness are not necessarily positive indicators of soil nutrient scarcity. Using a novel remote sensing index of canopy greenness limitation, we assessed how observed greenness compares with potential greenness. We found a strong relationship with soil N only (r 2 = 0.65; p < 0.1), suggesting that tropical canopy greenness in Panama is predominantly limited by soil N, even if plant productivity (e.g., litterfall) responds to rock-derived nutrients. Moreover, greenness limitation was also significantly correlated with fine root biomass and soil carbon stocks (r 2 = 0.62–0.71; p < 0.1), suggesting a feedback from soil N to canopy greenness to soil carbon storage. Altogether, these data point to the potential utility of a remote sensing product for assessing belowground properties in tropical ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Modeling suggests fossil fuel emissions have been driving increased land carbon uptake since the turn of the 20th Century

Terrestrial vegetation removes CO 2 from the atmosphere; an important climate regulation service that slows global warming. This 119 Pg C per annum transfer of CO 2 into plants—gross primary productivity (GPP)—is the largest land carbon flux globally. While understanding past and anticipated future GPP changes is necessary to support carbon management, the factors driving long-term changes in GPP are largely unknown. In this study, we show that 1901 to 2010 changes in GPP have been dominated by anthropogenic activity. Our dual constraint attribution approach provides three insights into the spatiotemporal patterns of GPP change. First, anthropogenic controls on GPP change have increased from 57% (1901 decade) to 94% (2001 decade) of the vegetated land surface. Second, CO 2 fertilization and nitrogen deposition are the most important drivers of change, 19.8 and 11.1 Pg C per annum (2001 decade) respectively, especially in the tropics and industrialized areas since the 1970’s. Third, changes in climate have functioned as fertilization to enhance GPP (1.4 Pg C per annum in the 2001 decade). These findings suggest that, from a land carbon balance perspective, the Anthropocene began over 100 years ago and that global change drivers have allowed GPP uptake to keep pace with anthropogenic emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Accurate and confident prediction of electron beam longitudinal properties using spectral virtual diagnostics

Abstract Longitudinal phase space (LPS) provides a critical information about electron beam dynamics for various scientific applications. For example, it can give insight into the high-brightness X-ray radiation from a free electron laser. Existing diagnostics are invasive, and often times cannot operate at the required resolution. In this work we present a machine learning-based Virtual Diagnostic (VD) tool to accurately predict the LPS for every shot using spectral information collected non-destructively from the radiation of relativistic electron beam. We demonstrate the tool’s accuracy for three different case studies with experimental or simulated data. For each case, we introduce a method to increase the confidence in the VD tool. We anticipate that spectral VD would improve the setup and understanding of experimental configurations at DOE’s user facilities as well as data sorting and analysis. The spectral VD can provide confident knowledge of the longitudinal bunch properties at the next generation of high-repetition rate linear accelerators while reducing the load on data storage, readout and streaming requirements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Paclitaxel loading in cationic liposome vectors is enhanced by replacement of oleoyl with linoleoyl tails with distinct lipid shapes

Abstract Lipid carriers of hydrophobic paclitaxel (PTX) are used in clinical trials for cancer chemotherapy. Improving their loading capacity requires enhanced PTX solubilization. We compared the time-dependence of PTX membrane solubility as a function of PTX content in cationic liposomes (CLs) with lipid tails containing one (oleoyl; DOPC/DOTAP) or two (linoleoyl; DLinPC/newly synthesized DLinTAP) cis double bonds by using microscopy to generate kinetic phase diagrams. The DLin lipids displayed significantly increased PTX membrane solubility over DO lipids. Remarkably, 8 mol% PTX in DLinTAP/DLinPC CLs remained soluble for approximately as long as 3 mol% PTX (the solubility limit, which has been the focus of most previous studies and clinical trials) in DOTAP/DOPC CLs. The increase in solubility is likely caused by enhanced molecular affinity between lipid tails and PTX, rather than by the transition in membrane structure from bilayers to inverse cylindrical micelles observed with small-angle X-ray scattering. Importantly, the efficacy of PTX-loaded CLs against prostate cancer cells (their IC50 of PTX cytotoxicity) was unaffected by changing the lipid tails, and toxicity of the CL carrier was negligible. Moreover, efficacy was approximately doubled against melanoma cells for PTX-loaded DLinTAP/DLinPC over DOTAP/DOPC CLs. Our findings demonstrate the potential of chemical modifications of the lipid tails to increase the PTX membrane loading while maintaining (and in some cases even increasing) the efficacy of CLs. The increased PTX solubility will aid the development of liposomal PTX carriers that require significantly less lipid to deliver a given amount of PTX, reducing side effects and costs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An integrated host-microbiome response to atrazine exposure mediates toxicity in Drosophila

Abstract The gut microbiome produces vitamins, nutrients, and neurotransmitters, and helps to modulate the host immune system—and also plays a major role in the metabolism of many exogenous compounds, including drugs and chemical toxicants. However, the extent to which specific microbial species or communities modulate hazard upon exposure to chemicals remains largely opaque. Focusing on the effects of collateral dietary exposure to the widely used herbicide atrazine, we applied integrated omics and phenotypic screening to assess the role of the gut microbiome in modulating host resilience in Drosophila melanogaster . Transcriptional and metabolic responses to these compounds are sex-specific and depend strongly on the presence of the commensal microbiome. Sequencing the genomes of all abundant microbes in the fly gut revealed an enzymatic pathway responsible for atrazine detoxification unique to Acetobacter tropicalis . We find that Acetobacter tropicalis alone, in gnotobiotic animals, is sufficient to rescue increased atrazine toxicity to wild-type, conventionally reared levels. This work points toward the derivation of biotic strategies to improve host resilience to environmental chemical exposures, and illustrates the power of integrative omics to identify pathways responsible for adverse health outcomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Mechanistic insights into a heterobifunctional degrader-induced PTPN2/N1 complex

PTPN2 (protein tyrosine phosphatase non-receptor type 2, or TC-PTP) and PTPN1 are attractive immuno-oncology targets, with the deletion of Ptpn1 and Ptpn2 improving response to immunotherapy in disease models. Targeted protein degradation has emerged as a promising approach to drug challenging targets including phosphatases. We developed potent PTPN2/N1 dual heterobifunctional degraders (Cmpd-1 and Cmpd-2) which facilitate efficient complex assembly with E3 ubiquitin ligase CRL4 CRBN , and mediate potent PTPN2/N1 degradation in cells and mice. To provide mechanistic insights into the cooperative complex formation introduced by degraders, we employed a combination of structural approaches. Our crystal structure reveals how PTPN2 is recognized by the tri-substituted thiophene moiety of the degrader. We further determined a high-resolution structure of DDB1-CRBN/Cmpd-1/PTPN2 using single-particle cryo-electron microscopy (cryo-EM). This structure reveals that the degrader induces proximity between CRBN and PTPN2, albeit the large conformational heterogeneity of this ternary complex. The molecular dynamic (MD)-simulations constructed based on the cryo-EM structure exhibited a large rigid body movement of PTPN2 and illustrated the dynamic interactions between PTPN2 and CRBN. Together, our study demonstrates the development of PTPN2/N1 heterobifunctional degraders with potential applications in cancer immunotherapy. Furthermore, the developed structural workflow could help to understand the dynamic nature of degrader-induced cooperative ternary complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Quantum critical fluctuations in an Fe-based superconductor

Abstract Quantum critical fluctuations may prove to play an instrumental role in the formation of unconventional superconductivity. Here, we show that the characteristic scaling of a marginal Fermi liquid is present in inelastic light scattering data of an Fe-based superconductor tuned through a quantum critical point (QCP) by chemical substitution or doping. From the doping dependence of the imaginary time dynamics we are able to distinguish regions dominated by quantum critical behavior from those having classical critical responses. This dichotomy reveals a connection between the marginal Fermi liquid behavior and quantum criticality. In particular, the overlap between regions of high superconducting transition temperatures and quantum critical scaling suggests a contribution from quantum fluctuations to the formation of superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Dark-field X-ray microscopy with structured illumination for three-dimensional imaging

Dark-field X-ray microscopy is a lens-based technique that enables real-space imaging of heterogeneous micro- and meso-scale ordered materials. However, achieving accurate three-dimensional (3D) reconstruction often requires meticulous sample alignment or rastering, requiring complex rotational setups and extended acquisition times. To address these challenges, we introduce a structured illumination technique optimized for 3D imaging of ordered materials at sub-micrometer length scales. Our approach employs a coded aperture to spatially modulate the incident X-ray beam, enabling 3D structural reconstruction from images captured at various aperture positions. Unlike current 3D imaging approaches, which often rely on rotational or rastering methods, our technique uses scanning X-ray silhouettes of the coded aperture for depth resolution along the diffraction axis. This eliminates the need for sample rotation or rastering, resulting in a highly stable and efficient imaging modality. We validated the efficacy of this approach through experimental imaging of an isolated twin domain within a bulk single crystal of an iron pnictide using a dark-field X-ray microscope. This advancement aligns with the enhanced brightness upgrades of modern synchrotron radiation facilities, unlocking new possibilities for high-resolution imaging of ordered materials.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

No constraint on long-term tropical land carbon-climate feedback uncertainties from interannual variability

Unraveling drivers of the interannual variability of tropical land carbon cycle is critical for understanding land carbon-climate feedbacks. Here we utilize two generations of factorial model experiments to show that interannual variability of tropical land carbon uptake under both present and future climate is consistently dominated by terrestrial water availability variations in Earth system models. The magnitude of this interannual sensitivity of tropical land carbon uptake to water availability variations under future climate shows a large spread across the latest 16 models (2.3 ± 1.5 PgC/yr/Tt H 2 O), which is constrained to 1.3 ± 0.8 PgC/yr/Tt H 2 O using observations and the emergent constraint methodology. However, the long-term tropical land carbon-climate feedback uncertainties in the latest models can no longer be directly constrained by interannual variability compared with previous models, given that additional important processes are not well reflected in interannual variability but could determine long-term land carbon storage. Our results highlight the limited implication of interannual variability for long-term tropical land carbon-climate feedbacks and help isolate remaining uncertainties with respect to water limitations on tropical land carbon sink in Earth system models.

54 ENVIRONMENTAL SCIENCES↗