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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ZW sex chromosome structure in Amborella trichopoda

Sex chromosomes have evolved hundreds of times across the flowering plant tree of life; their recent origins in some members of this clade can shed light on the early consequences of suppressed recombination, a crucial step in sex chromosome evolution. Amborella trichopoda, the sole species of a lineage that is sister to all other extant flowering plants, is dioecious with a young ZW sex determination system. Here we present a haplotype-resolved genome assembly, including highly contiguous assemblies of the Z and W chromosomes. We identify a ~3-megabase sex-determination region (SDR) captured in two strata that includes a ~300-kilobase inversion that is enriched with repetitive sequences and contains a homologue of the Arabidopsis METHYLTHIOADENOSINE NUCLEOSIDASE (MTN1-2) genes, which are known to be involved in fertility. However, the remainder of the SDR does not show patterns typically found in non-recombining SDRs, such as repeat accumulation and gene loss. These findings are consistent with the hypothesis that dioecy is derived in Amborella and the sex chromosome pair has not significantly degenerated.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Auxetic two-dimensional transition metal selenides and halides

Abstract Auxetic two-dimensional (2D) materials provide a promising platform for biomedicine, sensors, and many other applications at the nanoscale. In this work, utilizing a hypothesis-based data-driven approache, we identify multiple materials with remarkable in-plane auxetic behavior in a family of buckled monolayer 2D materials. These materials are transition metal selenides and transition metal halides with the stoichiometry MX (M = V, Cr, Mn, Fe, Co, Cu, Zn, Ag, and X = Se, Cl, Br, I). First-principles calculations reveal that the desirable auxetic behavior of these 2D compounds originates from the interplay between the buckled 2D structure and the weak metal–metal interaction determined by their electronic structures. We observe that the Poisson’s ratio is sensitive to magnetic order and the amount of uniaxial stress applied. A transition from positive Poisson’s ratio (PPR) to negative Poisson’s ratio (NPR) for a subgroup of MX compounds under large uniaxial stress is predicted. The work provides a guideline for the future design of 2D auxetic materials at the nanoscale.

2d materials↗
DOE OSTI2021

Off-the-shelf deep learning is not enough, and requires parsimony, Bayesianity, and causality

Abstract Deep neural networks (‘deep learning’) have emerged as a technology of choice to tackle problems in speech recognition, computer vision, finance, etc. However, adoption of deep learning in physical domains brings substantial challenges stemming from the correlative nature of deep learning methods compared to the causal, hypothesis driven nature of modern science. We argue that the broad adoption of Bayesian methods incorporating prior knowledge, development of solutions with incorporated physical constraints and parsimonious structural descriptors and generative models, and ultimately adoption of causal models, offers a path forward for fundamental and applied research.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging

Abstract Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re 1- x S 2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.

25 ENERGY STORAGE↗
DOE OSTI2023

Circumventing the phonon bottleneck by multiphonon-mediated hot exciton cooling at the nanoscale

Abstract Nonradiative processes govern efficiencies of semiconductor nanocrystal (NC)-based devices. A central process is hot exciton cooling, or the nonradiative relaxation of a highly excited electron/hole pair to form a band-edge exciton. Due to quantum confinement effects, the timescale and mechanism of cooling are not well understood. A mismatch between electronic energy gaps and phonon frequencies has led to the hypothesis of a phonon bottleneck and extremely slow cooling, while enhanced electron-hole interactions have suggested ultrafast cooling. Experimental measurements of the cooling timescale range six orders of magnitude. Here, we develop an atomistic approach to describe phonon-mediated exciton dynamics and simulate cooling in NCs of experimentally relevant sizes. We find that cooling occurs on ~30 fs timescales in CdSe NCs, in agreement with the most recent measurements, and that the phonon bottleneck is circumvented through a cascade of multiphonon-mediated relaxation events. Furthermore, we identify NC handles for tuning the cooling timescale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microbial interactions with silicate glasses

Glass alteration in the presence of microorganisms has been a topic of research for over 150 years. Researchers from a variety of disciplines, including material science, biology, chemistry, geology, physics, and cultural heritage materials preservation have conducted experiments in this area to try and understand when, how, and why microorganism may interact and subsequently influence the alteration of glass. The breadth and depth of these studies are the topic of this review. This review presents a detailed history and a comprehensive overview of this field of research, while maintaining focus on the terrestrial alteration of anthropogenic silicate glasses. Within this manuscript is a schema for bio-interaction with silicate glasses and an outline of an evidence-based hypothesis on how these interactions may influence glass alteration processes. Topics discussed include microbial colonization of glass, development, and interactions of biofilms with glass surface, abiotic vs. biotic alteration processes, and signatures of bio-alteration. Future research needs and a discussion of practical drivers for this research are summarized.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Understanding temperature-dependent SU(3) spin dynamics in the S = 1 antiferromagnet Ba 2 FeSi 2 O 7

Quantum magnets admit more than one classical limit and N-level systems with strong single-ion anisotropy are expected to be described by a classical approximation based on SU(N) coherent states. Here we test this hypothesis by modeling finite temperature inelastic neutron scattering (INS) data of the effective spin-one antiferromagnet Ba 2 FeSi 2 O 7 . The measured dynamic structure factor is calculated with a generalized Landau-Lifshitz dynamics for SU(3) spins. Unlike the traditional classical limit based on SU(2) coherent states, the results obtained with classical SU(3) spins are in good agreement with the measured temperature dependent spectrum. The SU(3) approach developed here provides a general framework to understand the broad class of materials comprising weakly coupled antiferromagnetic dimers, trimers, or tetramers, and magnets with strong single-ion anisotropy.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The impact of bilateral injuries on the pathophysiology and functional outcomes of volumetric muscle loss

Volumetric muscle loss (VML)—defined as the irrecoverable loss of skeletal muscle tissue with associated persistent functional deficits—is among the most common and highly debilitating combat-related extremity injuries. This is particularly true in cases of severe polytrauma wherein multiple extremities may be involved as a result of high energy wounding mechanisms. As such, significant investment and effort has been made toward developing a clinically viable intervention capable of restoring the form and function of the affected musculature. While these investigations conducted to date have varied with respect to the species, breed, and sex of the chosen pre-clinical in-vivo model system, the majority of these studies have been performed in unilateral injury models, an aspect which may not fully exemplify the clinical representation of the multiply injured patient. Furthermore, while various components of the basal pathophysiology of VML (e.g., fibrosis and inflammation) have been investigated, relatively little effort has focused on how the pathophysiology and efficacy of pro-regenerative technologies is altered when there are multiple VML injuries. Thus, the purpose of this study was two-fold: (1) to investigate if/how the pathophysiology of unilateral VML injuries differs from bilateral VML injuries and (2) to interrogate the effect of bilateral VML injuries on the efficacy of a well-characterized regenerative therapy, minced muscle autograft (MMG). In contrast to our hypothesis, we show that bilateral VML injuries exhibit a similar systemic inflammatory response and improved muscle functional recovery, compared to unilateral injured animals. Furthermore, MMG treatment was found to only be effective at promoting an increase in functional outcomes in unilateral VML injuries. The findings presented herein add to the growing knowledge base of the pathophysiology of VML, and, importantly, reiterate the importance of comprehensively characterizing preclinical models which are utilized for early-stage screening of putative therapies as they can directly influence the translational research pipeline.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Electrical conductivities of (Mg,Fe)O at extreme pressures and implications for planetary magma oceans

During planet formation, planets undergo many impacts that can generate magma oceans. When these crystallize, part of the magma densifies via iron enrichment and migrates to the core–mantle boundary, forming an iron-rich basal magma ocean (BMO). The BMO could generate a dynamo in early Earth and super-Earths if the electrical conductivity of the BMO, which is thought to be sensitive to its Fe content, is sufficiently high. To test this hypothesis, here we conduct laser-driven shock experiments on ferropericlase (Mg x ,Fe 1−x )O (0.95 ≤ x ≤ 1) as an Fe-rich BMO analogue, perform density functional theory molecular dynamics simulations on MgO and calculate the long-term evolution of super-Earths. We find that the d.c. conductivities of MgO and (Mg,Fe)O are indistinguishable between 467 GPa and 1,400 GPa, despite previous predictions. Here, we predict that super-Earths larger than 3–6 Earth masses can produce BMO-driven dynamos that are almost one order of magnitude stronger than core-driven dynamos for several billion years.

Exoplanets↗
DOE OSTI2026

Enrichment by the first stars in a relic dwarf galaxy

Stars that contain trace amounts of elements heavier than helium (that is, ‘metallicity’) preserve the chemical fingerprints of the first stars. In the Milky Way, nearly all of the lowest-metallicity stars show an extreme over-abundance of carbon. The origin of this signature has remained a mystery owing to the lack of observational constraints on the environments in which it originates. Here, in this work, we present observations of a star in the >10-billion-year-old ultrafaint dwarf galaxy Pictor II, showing the lowest iron and calcium abundances outside the Milky Way (<1/43,000th solar and ~1/160,000th solar), with >3,000× relative carbon enhancement. The star’s exceptional paucity in iron and calcium make it clearly preserve enrichment from the first stars in a relic dwarf galaxy; Pictor II is one of the smallest, most chemically primordial systems known. This star supports the hypothesis that extreme carbon enhancement results from low-energy supernovae from the first stars, as the yields of energetic supernovae are harder to retain in small-scale environments. This signature of enrichment by the first stars may trace a regime inaccessible to current high-redshift observations, which can hardly detect the initial enrichment of the smallest galaxies.

chemical evolution↗
DOE OSTI2022

Alternative stable states of the forest mycobiome are maintained through positive feedbacks

Most trees on Earth form a symbiosis with either arbuscular mycorrhizal or ectomycorrhizal fungi. By forming common mycorrhizal networks, actively modifying the soil environment and other ecological mechanisms, these contrasting symbioses may generate positive feedbacks that favour their own mycorrhizal strategy (that is, the con-mycorrhizal strategy) at the expense of the alternative strategy. Positive con-mycorrhizal feedbacks set the stage for alternative stable states of forests and their fungi, where the presence of different forest mycorrhizal strategies is determined not only by external environmental conditions but also mycorrhiza-mediated feedbacks embedded within the forest ecosystem. Here, in this work, we test this hypothesis using thousands of US forest inventory sites to show that arbuscular and ectomycorrhizal tree recruitment and survival exhibit positive con-mycorrhizal density dependence. Data-driven simulations show that these positive feedbacks are sufficient in magnitude to generate and maintain alternative stable states of the forest mycobiome. Given the links between forest mycorrhizal strategy and carbon sequestration potential, the presence of mycorrhizal-mediated alternative stable states affects how we forecast forest composition, carbon sequestration and terrestrial climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Polar algae flaunt their zinc assets

Metal ions have been at the centre of pivotal points in the evolution of extant life. Oxygen-evolving photosynthesis, which irrevocably reshaped the geochemistry and biology of our planet, has an absolute requirement for metal ions to harvest light, split water and transfer electrons. Access to abundant oxygen then led to the propagation of organisms capable of oxidative metabolism, a process that is also dependent on metal ions for electron transfer and reduction of molecular oxygen. Because of the essential links between metal ions and the proteins that require them to function, as well as changes in metal bioavailability through time, metals have shaped the trajectories that evolution can take. Iron typically steals this show, but with access to whole-genome sequences and transcriptomes, the imprint that zinc has made on biology is coming into focus. Writing in Nature Ecology & Evolution, Ye and colleagues present new insights into the complex connections between zinc bioavailability, adaptation of algae to the polar oceans and the evolution of regulatory networks. By combining field and laboratory-based analyses, the authors suggest that expanded families of zinc-binding proteins have enabled the green alga Microglena sp. YARC to flourish in the harsh conditions of the polar Southern Ocean (Fig. 1). As the waters where this alga occurs are known for their enrichment of zinc, the authors further propose that availability of this metal ion was directly responsible for successful microalgal colonization of polar oceans. To test this hypothesis, the authors compare meta-transcriptomes collected from pole-to-pole and find positive correlations between higher copy numbers for transcripts encoding putative zinc-binding proteins, higher latitudes, lower surface temperatures and dissolved zinc.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Detecting macroevolutionary genotype–phenotype associations using error-corrected rates of protein convergence

On macroevolutionary timescales, extensive mutations and phylogenetic uncertainty mask the signals of genotype–phenotype associations underlying convergent evolution. To overcome this problem, we extended the widely used framework of non-synonymous to synonymous substitution rate ratios and developed the novel metric ω C , which measures the error-corrected convergence rate of protein evolution. While ω C distinguishes natural selection from genetic noise and phylogenetic errors in simulation and real examples, its accuracy allows an exploratory genome-wide search of adaptive molecular convergence without phenotypic hypothesis or candidate genes. Using gene expression data, we explored over 20 million branch combinations in vertebrate genes and identified the joint convergence of expression patterns and protein sequences with amino acid substitutions in functionally important sites, providing hypotheses on undiscovered phenotypes. We further extended our method with a heuristic algorithm to detect highly repetitive convergence among computationally non-trivial higher-order phylogenetic combinations. Our approach allows bidirectional searches for genotype–phenotype associations, even in lineages that diverged for hundreds of millions of years.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Dynamics of the abrupt change in Pacific Plate motion around 50 million years ago

Changes in Pacific Plate motion combined near equally with hotspot drift to generate the prominent bend in the Hawaiian-Emperor seamount chain some 50 million years ago, according to kinematic plate reconstruction and global dynamic models. A drastic change in plate tectonics and mantle convection occurred around 50 Ma as exemplified by the prominent Hawaiian-Emperor Bend. Both an abrupt Pacific Plate motion change and a change in mantle plume dynamics have been proposed to account for the Hawaiian-Emperor Bend, but debates surround the relative contribution of the two mechanisms. Here we build kinematic plate reconstructions and high-resolution global dynamic models to quantify the amount of Pacific Plate motion change. We find Izanagi Plate subduction, followed by demise of the Izanagi-Pacific Ridge and Izu-Bonin-Mariana subduction initiation alone, is incapable of causing a sudden change in plate motion, challenging the conventional hypothesis on the mechanisms of Pacific Plate motion change. Instead, Palaeocene slab pull from Kronotsky intraoceanic subduction in the northern Pacific exerts a northward pull on the Pacific Plate, while its Eocene demise leads to a sudden 30-35 degrees change in plate motion, accounting for about half of the Hawaiian-Emperor Bend. We suggest the Pacific Plate motion change and hotspot drift due to plume dynamics could have contributed nearly equally to the formation of the Hawaiian-Emperor Bend. Such a scenario is consistent with available constraints from global plate circuits, palaeomagnetic data and geodynamic models.

Hu, Jiashun↗
DOE OSTI2022

Standardized multi-omics of Earth’s microbiomes reveals microbial and metabolite diversity

Despite advances in sequencing, lack of standardization makes comparisons across studies challenging and hampers insights into the structure and function of microbial communities across multiple habitats on a planetary scale. Here we present a multi-omics analysis of a diverse set of 880 microbial community samples collected for the Earth Microbiome Project. We include amplicon (16S, 18S, ITS) and shotgun metagenomic sequence data, and untargeted metabolomics data (liquid chromatography-tandem mass spectrometry and gas chromatography mass spectrometry). We used standardized protocols and analytical methods to characterize microbial communities, focusing on relationships and co-occurrences of microbially related metabolites and microbial taxa across environments, thus allowing us to explore diversity at extraordinary scale. In addition to a reference database for metagenomic and metabolomic data, we provide a framework for incorporating additional studies, enabling the expansion of existing knowledge in the form of an evolving community resource. We demonstrate the utility of this database by testing the hypothesis that every microbe and metabolite is everywhere but the environment selects. Our results show that metabolite diversity exhibits turnover and nestedness related to both microbial communities and the environment, whereas the relative abundances of microbially related metabolites vary and co-occur with specific microbial consortia in a habitat-specific manner. We additionally show the power of certain chemistry, in particular terpenoids, in distinguishing Earth’s environments (for example, terrestrial plant surfaces and soils, freshwater and marine animal stool), as well as that of certain microbes including Conexibacter woesei (terrestrial soils), Haloquadratum walsbyi (marine deposits) and Pantoea dispersa (terrestrial plant detritus). This Resource provides insight into the taxa and metabolites within microbial communities from diverse habitats across Earth, informing both microbial and chemical ecology, and provides a foundation and methods for multi-omics microbiome studies of hosts and the environment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Suppression of superconductivity by anisotropic strain near a nematic quantum critical point

In most unconventional and high-temperature superconductors, superconductivity emerges as a nearby symmetry-breaking phase is suppressed by chemical doping or pressure. This has led to the belief that the fluctuations associated with the symmetry-breaking phase are beneficial, if not responsible, for the superconducting pairing. A direct test to verify this hypothesis is to observe a decrease of the superconducting critical temperature (T c ) by applying the symmetry-breaking conjugate field that suppresses the dynamic fluctuations of the competing order. However, most of the competing phases in unconventional superconductors break translational symmetry, requiring a spatially modulated conjugate field that is difficult to realize experimentally. Here, we show that anisotropic strain, the conjugate field of nematicity, reduces the T c of an iron pnictide. For optimally doped samples we show a fivefold reduction of T c with less than one per cent of strain. For underdoped samples, T c becomes zero yielding a fully metallic ground state. In addition to providing direct evidence of the role played by the nematic fluctuations in the formation of the superconducting state, these results demonstrate tunable mechanical control of a high-temperature superconductor, an important step forward for technological applications of superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Test of the universality of τ and μ lepton couplings in W-boson decays with the ATLAS detector

The standard model of particle physics encapsulates our best current understanding of physics at the smallest scales. A fundamental axiom of this theory is the universality of the couplings of the different generations of leptons to the electroweak gauge bosons. The measurement of the ratio of the decay rate of W bosons to τ leptons and muons, R ( τ/μ ), constitutes an important test of this axiom. Using 139 fb –1 of proton–proton collisions recorded with the ATLAS detector at a centre-of-mass energy of 13 TeV, we report a measurement of this quantity from di-leptonic $t\overline{t}$ events where the top quarks decay into a W boson and a bottom quark. We can distinguish muons originating from W bosons and those originating from an intermediate τ lepton through the muon transverse impact parameter and differences in the muon transverse momentum spectra. The measured value of R ( τ/μ ) is 0.992 ± 0.013 [± 0.007(stat) ± 0.011(syst)] and is in agreement with the hypothesis of universal lepton couplings as postulated in the standard model. This is the only such measurement from the Large Hadron Collider, so far, and obtains twice the precision of previous measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Observation of electroweak production of two jets and a $Z$-boson pair

Electroweak symmetry breaking explains the origin of the masses of elementary particles through their interactions with the Higgs field. Besides the measurements of the Higgs boson properties, the study of the scattering of massive vector bosons with spin 1 allows the nature of electroweak symmetry breaking to be probed. Among all processes related to vector-boson scattering, the electroweak production of two jets and a $Z$-boson pair is a rare and important one. Here we report the observation of this process from proton–proton collision data corresponding to an integrated luminosity of 139 fb -1 recorded at a centre-of-mass energy of 13 TeV with the ATLAS detector at the Large Hadron Collider. We consider two different final states originating from the decays of the $Z$-boson pair: one containing four charged leptons and another containing two charged leptons and two neutrinos. The hypothesis of no electroweak production is rejected with a statistical significance of 5.7$σ$, and the measured cross-section for electroweak production is consistent with the Standard Model prediction. In addition, we report cross-sections for inclusive production of a $Z$-boson pair and two jets for the two final states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗