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At least 1,801 records · Page 100
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Applied-field magnetic structure and spectroscopy shifts of the effective spin-$\frac{1}{2}$ 𝑋⁢𝑌-like magnet Li 2 ⁢CoCl 4

Insulators containing chains of magnetic transition metal cations provide platforms for probing spin-$\frac{1}{2}$ dynamics and quantum critical behavior. Li 2 ⁢ CoCl 4 contains edge-sharing CoCl 6 octahedra that form chains along the crystallographic 𝑐 axis and orders antiferromagnetically at zero field, but questions remain about its applied-field magnetic structure and the Co 2+ spin state. Here, in this study, we show with neutron diffraction on a polycrystalline sample how the antialigned chains of cobalt moments begin to transition to a ferromagnetic state above 1.6 T. Further, using magnetic resonance absorption measurements and noninteracting spin models, we reveal the strongly anisotropic nature of the Co 2+ ion's 𝑋⁢𝑌-like magnetic behavior (𝑔 ∥ = 2.77 and 𝑔 ⊥ = 5.23) and its 𝐽 = $\frac{1}{2}$ ground state. We therefore supply the magnetic structures and anisotropic description needed to explore the dynamics of the field-driven magnetic phases, laying the foundation for further experimental and theoretical studies.

Riedel, Zachary W. [Univ. of Illinois at Urbana-Ch↗
DOE OSTI2019

High-resolution phonon energy shift measurements with the inelastic neutron spin echo technique

The energy resolution of the conventional way of measuring a small change in a phonon dispersion curve using neutron scattering is restricted by the relatively coarse intrinsic resolution ellipsoid of the neutron triple-axis spectrometer (TAS). By implementing inelastic neutron spin echo on the host TAS using the Larmor precession of the neutron spin, the energy resolution of such measurements can be further improved without reducing the resolution ellipsoid. Measurements of the temperature-dependent phonon energy change are demonstrated using superconducting magnetic Wollaston prisms at the HB-1 instrument of the High-Flux Isotope Reactor at Oak Ridge National Laboratory, and the achievable resolution is <10 µeV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Shifting and tilting towards enhanced piezoelectricity in high-temperature ceramics: an average structure study of (1 − x )BiFe 2/8 Ti 3/8 Mg 3/8 O 3 – x PbTiO 3 through X-ray and neutron diffraction

A comprehensive report is provided of the average structure of a high Curie temperature ferroelectric ceramic, (1 − x)BiFe 2/8 Ti 3/8 Mg 3/8 O 3 –xPbTiO 3 (BFTM–xPT) when x = 0.25–0.375 at room temperature. Both neutron and synchrotron X-ray powder diffraction data were collected and combined Rietveld refinements were completed. These data revealed that, of the compositions studied, BFTM–xPT crystallizes as mixed phase material. At x = 0.25–0.275, the average structure of each phase is best described by space groups R3c and Cc. At 0.30 ≥ x ≥ 0.35, a morphotropic phase boundary is present and is best modelled by space groups P4mm and Cc, where space group Cc is the dominant phase. As the concentration of PbTiO 3 increases, the amount of octahedral tilting decreases and x = 0.375 exhibits a loss of octahedral tilting and crystallizes in space groups P4mm and Cm. In conclusion, an updated phase diagram at room temperature of this novel system is given and structural intricacies responsible for its piezoelectric properties are revealed.

high Curie temperature↗
DOE OSTI2017

Structure of Methylobacterium extorquens malyl-CoA lyase: CoA-substrate binding correlates with domain shift

Malyl-CoA lyase (MCL) is an Mg 2+ -dependent enzyme that catalyzes the reversible cleavage of (2 S )-4-malyl-CoA to yield acetyl-CoA and glyoxylate. MCL enzymes, which are found in a variety of bacteria, are members of the citrate lyase-like family and are involved in the assimilation of one- and two-carbon compounds. Here, the 1.56 Å resolution X-ray crystal structure of MCL from Methylobacterium extorquens AM1 with bound Mg 2+ is presented. Structural alignment with the closely related Rhodobacter sphaeroides malyl-CoA lyase complexed with Mg 2+ , oxalate and CoA allows a detailed analysis of the domain motion of the enzyme caused by substrate binding. Alignment of the structures shows that a simple hinge motion centered on the conserved residues Phe268 and Thr269 moves the C-terminal domain by about 30° relative to the rest of the molecule. Furthermore, this domain motion positions a conserved aspartate residue located in the C-terminal domain in the active site of the adjacent monomer, which may serve as a general acid/base in the catalytic mechanism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Reflections on the Shifting Experiences of Scientific Infrastructure

Infrastructure of all types is fundamental to modern work and life. Computing for scientific work, especially, extends from distributed local research sites, often at the edges of other major systems, outward into globally connected high-performance facilities and infrastructures. This commentary reviews longstanding research on the social characteristics of infrastructure. We reflect on social concerns that affect the ongoing development, use, and maintenance of a wide range of scientific computing and data resources. Reflecting on the social nature of infrastructure is timely for Computing in Science & Engineering readers, given continued emphasis on developing even more expansive platforms for data and artificial intelligence work in science (e.g., the United States’ Genesis Mission). We assert that, regardless of technological advances, the complex nature of scientific research and data will require continued understanding of longstanding and nascent social practices across varied communities. This is fundamentally necessary to build and sustain usable infrastructure or platforms that can productively advance scientific research.

Paine, Drew [Lawrence Berkeley National Laboratory↗
DOE OSTI2016

Peak season carbon exchange shifts from a sink to a source following 50+ years of herbivore exclusion in an Arctic tundra ecosystem

To date, the majority of our knowledge regarding the impacts of herbivory on arctic ecosystem function has been restricted to short-term (<5 years) exclusion or manipulation experiments. Here, our understanding of long-term responses of sustained herbivory and/or herbivore exclusion on arctic tundra ecosystem function is severely limited.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Experimental assemblage of novel plant–herbivore interactions: ecological host shifts after 40 million years of isolation

Abstract Geographic isolation is the first step in insect herbivore diet specialization. Such specialization is postulated to increase insect fitness, but may simultaneously reduce insect ability to colonize novel hosts. During the Paleocene‐Eocene, plants from the order Zingiberales became isolated either in the Paleotropics or in the Neotropics. During the Cretaceous, rolled‐leaf beetles diversified in the Neotropics concurrently with Neotropical Zingiberales. Using a community of Costa Rican rolled‐leaf beetles and their Zingiberales host plants as study system, we explored if previous geographic isolation precludes insects to expand their diets to exotic hosts. We recorded interactions between rolled‐leaf beetles and native Zingiberales by combining DNA barcodes and field records for 7450 beetles feeding on 3202 host plants. To determine phylogenetic patterns of diet expansions, we established 20 experimental plots in the field, in which we planted plots five exotic Zingiberales, recording beetles feeding on these exotic hosts. In the laboratory, using both native and exotic host plants, we reared a subset of insect species that had expanded their diets to the exotic plants. The original plant–herbivore community comprised 24 beetle species feeding on 35 native hosts, representing 103 plant–herbivore interactions. After exotic host plant introduction, 20 percent of the beetle species expanded their diets to exotic Zingiberales. Insects only established on exotic hosts that belong to the same plant family as their native hosts. Laboratory experiments show that beetles are able to complete development on these novel hosts. In conclusion, rolled‐leaf beetles are preadapted to expand their diets to novel host plants even after millions of years of geographic isolation.

Garcia‐Robledo, Carlos↗
DOE OSTI2016

Few multi-year precipitation-reduction experiments find a shift in the productivity-precipitation relationship

Well-defined productivity–precipitation relationships of ecosystems are needed as benchmarks for the validation of land models used for future projections. The productivity–precipitation relationship may be studied in two ways: the spatial approach relates differences in productivity to those in precipitation among sites along a precipitation gradient (the spatial fit, with a steeper slope); the temporal approach relates interannual productivity changes to variation in precipitation within sites (the temporal fits, with flatter slopes). Precipitation–reduction experiments in natural ecosystems represent a complement to the fits, because they can reduce precipitation below the natural range and are thus well suited to study potential effects of climate drying. Here, we analyse the effects of dry treatments in eleven multiyear precipitation–manipulation experiments, focusing on changes in the temporal fit. We expected that structural changes in the dry treatments would occur in some experiments, thereby reducing the intercept of the temporal fit and displacing the productivity–precipitation relationship downward the spatial fit. Seventy two percent of expiriments showed that dry treatments did not alter the temporal fit. This implies that current temporal fits are to be preferred over the spatial fit to benchmark land-model projections of productivity under future climate within the precipitation ranges covered by the experiments. Moreover, in two experiments, the intercept of the temporal fit unexpectedly increased due to mechanisms that reduced either water loss or nutrient loss. The expected decrease of the intercept was observed in only one experiment, and only when distinguishing between the late and the early phases of the experiment. This implies that we currently do not know at which precipitation–reduction level or at which experimental duration structural changes will start to alter ecosystem productivity. Our study highlights the need for experiments with multiple, including more extreme, dry treatments, to identify the precipitation boundaries within which the current temporal fits remain valid.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Intensified inundation shifts a freshwater wetland from a CO 2 sink to a source

Abstract Climate change has altered global precipitation patterns and has led to greater variation in hydrological conditions. Wetlands are important globally for their soil carbon storage. Given that wetland carbon processes are primarily driven by hydrology, a comprehensive understanding of the effect of inundation is needed. In this study, we evaluated the effect of water level (WL) and inundation duration (ID) on carbon dioxide (CO 2 ) fluxes by analysing a 10‐year (2008–2017) eddy covariance dataset from a seasonally inundated freshwater marl prairie in the Everglades National Park. Both gross primary production (GPP) and ecosystem respiration (ER) rates showed declines under inundation. While GPP rates decreased almost linearly as WL and ID increased, ER rates were less responsive to WL increase beyond 30 cm and extended inundation periods. The unequal responses between GPP and ER caused a weaker net ecosystem CO 2 sink strength as inundation intensity increased. Eventually, the ecosystem tended to become a net CO 2 source on a daily basis when either WL exceeded 46 cm or inundation lasted longer than 7 months. Particularly, with an extended period of high‐WLs in 2016 (i.e., WL remained >40 cm for >9 months), the ecosystem became a CO 2 source, as opposed to being a sink or neutral for CO 2 in other years. Furthermore, the extreme inundation in 2016 was followed by a 4‐month postinundation period with lower net ecosystem CO 2 uptake compared to other years. Given that inundation plays a key role in controlling ecosystem CO 2 balance, we suggest that a future with more intensive inundation caused by climate change or water management activities can weaken the CO 2 sink strength of the Everglades freshwater marl prairies and similar wetlands globally, creating a positive feedback to climate change.

Zhao, Junbin↗
DOE OSTI2022

Microbial community shifts correspond with suppression of decomposition 25 years after liming of acidic forest soils

Microbial community structure and function regularly covary with soil pH, yet effects of these interactions on soil carbon are rarely tested experimentally within natural ecosystems. We investigated the enduring (25 year) impacts of liming on microbial community structure and decomposition at an acidic northern hardwood forest, where experimental liming increased pH one unit and surprisingly doubled the organic carbon stocks of the forest floor. Here we show that this increase in carbon storage corresponded with restructuring of the bacterial and fungal communities that drive decomposition. In the Oe horizon, liming reduced the activities of five extracellular enzymes that mediate decomposition, while the Oa horizon showed an especially large (64%) reduction in the activity of a sixth, peroxidase, which is an oxidative enzyme central to lignocellulose degradation. Decreased enzyme activities corresponded with loss of microbial taxa important for lignocellulose decay, including large reductions in the dominant ectomycorrhizal genera Russula and Cenococcum, saprotrophic and wood decaying fungi, and Actinobacteria (Thermomonosporaceae). These results demonstrate the importance of pH as a dominant regulator of microbial community structure and illustrate how changes to this structure can produce large, otherwise unexpected increases in carbon storage in forest soils.

59 BASIC BIOLOGICAL SCIENCES↗

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