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DOE OSTI2024

Valley-Coherent Quantum Anomalous Hall State in AB-Stacked MoTe 2 / W S e 2 Bilayers

Moiré materials provide fertile ground for the correlated and topological quantum phenomena. Among them, the quantum anomalous Hall (QAH) effect, in which the Hall resistance is quantized even under zero magnetic field, is a direct manifestation of the intrinsic topological properties of a material and an appealing attribute for low-power electronics applications. The QAH effect has been observed in both graphene and transition metal dichalcogenide (TMD) moiré materials. It is thought to arise from the interaction-driven valley polarization of the narrow moiré bands. Here, we show that the newly discovered QAH state in AB-stacked MoTe 2 / W S e 2 moiré bilayers is not valley polarized but valley coherent. The layer- and helicity-resolved optical spectroscopy measurement reveals that the QAH ground state possesses spontaneous spin (valley) polarization aligned (antialigned) in two TMD layers. In addition, saturation of the out-of-plane spin polarization in both layers occurs only under high magnetic fields, supporting a canted spin texture. Our results call for a new mechanism for the QAH effect and highlight the potential of TMD moiré materials with strong electronic correlations and spin-orbit interactions for exotic topological states. Published by the American Physical Society 2024

2-dimensional systems↗

DOE OSTI2025

Chern Insulators at Integer and Fractional Filling in Moiré Pentalayer Graphene

The advent of moiré platforms for engineered quantum matter has led to discoveries of integer and fractional quantum anomalous Hall effects, with predictions for correlation-driven topological states based on electron crystallization. Here, we report an array of trivial and topological insulators formed in a moiré lattice of rhomobohedral pentalayer graphene (R5G). At a doping of one electron per moiré unit cell ( ν = 1 ), we see a correlated insulator with a Chern number that can be tuned between C = 0 and + 1 by an electric displacement field. This is accompanied by a series of additional Chern insulators with C = + 1 originating from fractional fillings of the moiré lattice— ν = 1 / 4 , 1 / 3 , and 2 / 3 —associated with the formation of moiré-driven topological electronic crystals. At ν = 2 / 3 the system exhibits an integer quantum anomalous Hall effect at zero magnetic field, but further develops hints of an incipient C = 2 / 3 fractional Chern insulator in a modest field. Our results establish moiré R5G as a fertile platform for studying the competition and potential intertwining of integer and fractional Chern insulators. Published by the American Physical Society 2025

Waters, Dacen (ORCID:0000000335880039)↗

DOE OSTI2025

Interface magnetism and anomalous Hall effect in La 0.7 ⁢Sr 0.3⁢ Mn⁢O 3 /SrIr⁢O 3 bilayers

Epitaxial interfaces combining 3d and 5d transition metal oxides are a fertile playground to examine the interplay between topology and electron correlations. In this work, we explore magnetism and transport of bilayers combining ferromagnetic La 0.7⁢ Sr 0.3⁢ Mn⁢O 3 and the strong spin-orbit coupling material SrIr⁢O 3 . We have found an interfacial magnetic proximity effect driving an intrinsic contribution to the anomalous Hall effect of topological origin. The interfacial proximity interaction is enabled by the Mn-O-Ir bonding reconstruction and depends on layer sequence. While bilayers with the La 0.7⁢ Sr 0.3 ⁢Mn⁢O 3 on top featuring a robust Mn magnetism at the interface show the intrinsic AHE contribution, it is absent in bilayers with the inverted layer sequence (SrIr⁢O 3 layer on top) showing strongly suppressed magnetism at the interface. These results illustrate the leading role of interfacial atomic reconstructions on the interplay between topology and correlations at 3d/5d oxide interfaces. This finding may be of interest in future oxide topological spintronics and spin-orbitronics.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Magnon thermal conductivity in multiferroics with spin cycloids

Multiferroic materials, characterized by the occurrence of two or more ferroic properties, hold potential in future technological applications and also exhibit intriguing phenomena caused by the interplay of multiple orders. One such example is the formation of spin-cycloid structures within multiferroic materials, which we investigate in this work by focusing on their magnon excitations and transport based on a general multiferroic Hamiltonian with an antiferromagnetic order. More specifically, we identify the ground state and explore the dynamics of magnon modes, revealing distinct in-plane and out-of-plane modes with anisotropic dispersion relations. The magnon modes include a massless excitation, known as the Goldstone boson, originating from the spontaneous breaking of the translational symmetry by the formation of the cycloid structures. By employing the Boltzmann transport formalism, the magnonic thermal conductivity with spin cycloids and low-temperature anisotropic behaviors is discussed. This work provides pathways to envision the spin-textured multiferroics, which may serve as a fertile ground to look for novel thermal and spin transport with the rich interplay of quasiparticles such as magnons and phonons.

Park, Hyeon Woo↗

DOE OSTI2018

Synchrotron-based X-ray Fluorescence Microscopy as a Technique for Imaging of Elements in Plants

Understanding the distribution of elements within plant tissues is important across a range of fields in plant science. In this review, we examine synchrotron-based X-ray fluorescence microscopy (XFM) as an elemental imaging technique in plant sciences, considering both its historical and current uses as well as discussing emerging approaches. XFM offers several unique capabilities of interest to plant scientists, including in vivo analyses at room temperature and pressure, good detection limits (ca. 1-100 mg/kg), and excellent resolution (down to 50 nm). This has permitted its use in a range of studies, including for functional characterization in molecular biology, examining the distribution of nutrients in food products, understanding movement of foliar fertilizers, investigating the behaviour of engineered nanoparticles, elucidating the toxic effects of metal(loid)s in agronomic plant species, and studying the unique properties of hyperaccumulating plants. We anticipate that continuing technological advances at XFM beamlines will also provide new opportunities moving into the future, such as for high-throughput screening in molecular biology, use of exotic metal tags for protein localization, and for enabling time-resolved, in vivo analyses of living plants. By examining current and potential future applications, we hope to encourage further XFM studies in plant sciences by highlighting the versatility of this approach.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Seasonal Zinc Storage and a Strategy for Its Use in Buds of Fruit Trees

Bud dormancy allows deciduous perennial plants to rapidly grow following seasonal cold conditions. Although many studies have examined the hormonal regulation of bud growth, the role of nutrients remains unclear. Insufficient accumulation of the key micronutrient zinc (Zn) in dormant buds affects the vegetative and reproductive growth of perennial plants during the subsequent year, requiring the application of Zn fertilizers in orchard management to avoid growth defects in fruit trees. However, the mechanisms of seasonal Zn homeostasis in perennial plants remain poorly understood. Here, we provide new insights into Zn distribution and speciation within reproductive and vegetative buds of apple (Malus domestica) and four other deciduous fruit trees (peach [Amygdalus persica], grape [Vitis vinifera], pistachio [Pistacia vera], and blueberry [Vaccinium spp.]) using microscopic and spectroscopic characterization techniques comprising synchrotron-based x-ray fluorescence and x-ray absorption near-edge-structure analyses. By establishing a link between bud development and Zn distribution, we identified the following important steps of Zn storage and use in deciduous plants: Zn is preferentially deposited in the stem nodes subtending apical and axillary buds; Zn may then be sequestered as Zn-phytate prior to dormancy; in spring, Zn effectively releases for use during budbreak and subsequent meristematic growth. The mechanisms of Zn homeostasis during the seasonal cycles of plant growth and dormancy described here will contribute to improving orchard management, and to selection and breeding of deciduous perennial species.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Low-dimensional metal–organic frameworks: a pathway to design, explore and tune magnetic structures

Here, the magnetic structure adopted by a material relies on symmetry, the hierarchy of exchange interactions between magnetic ions and local anisotropy. A direct pathway to control the magnetic interactions is to enforce dimensionality within the material, from zero-dimensional isolated magnetic ions, one-dimensional (1D) spin-chains, two-dimensional (2D) layers to three-dimensional (3D) order. Being able to design a material with a specific dimensionality for the phenomena of interest is non-trivial. While many advances have been made in the area of inorganic magnetic materials, organic compounds offer distinct and potentially more fertile ground for material design. In particular magnetic metal–organic frameworks (mMOFs) combine magnetism with non-magnetic property functionality on the organic linkers within the structural framework, which can further be tuned with mild perturbations of pressure and field to induce phase transitions. Here, it is examined how neutron scattering measurements on mMOFs can be used to directly determine the magnetic structure when the magnetic ions are in a 2D layered environment within the wider 3D crystalline framework. The hydrated formate, in deuterated form, Co(DCOO) 2 ·2D 2 O, which was one of the first magnetic MOFs to be investigated with neutron diffraction, is reinvestigated as an exemplar case.

magnetism↗

DOE OSTI2018

A rare positively charged nicotinic acid disulfide: 2,2'-dithiodinicotinic acid hydrochloride monohydrate

2-Mercaptonicotinic acid (2-mnaH) is commonly used as a multi-dentate ligand. It is a flexible hard/soft ligand, capable of binding via a carboxylate oxygen and sulfur, or nitrogen and sulfur on a single metal site. This flexibility has been exploited in a variety of reactions with hard and soft metals to produce diverse structures. Mercaptonicotinic acid complexes with silver(I) and gold(I) have proven anti-microbial properties, while transition metal–mna clusters have provided fertile ground for luminescence studies. In some extraordinary cases, all three potential binding sites of 2-mna coordinate to metal centers. 2-mnaH tends to form disulfide bonds with itself in neutral solutions, and these dimers have provided interesting coordination modes with the lanthanides, as have related 2,2'-dithiodisalicylic acid compounds. Disulfide formation is typically inhibited by the use of acidic solution, and these non-dimerized species often feature protonated nitrogens. It is therefore quite unusual to have a disulfide bond form from a solution acidic enough to make a nicotinium species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A Perspective on Data and Privacy for AI in Healthcare [Industrial and Governmental Activities]

As large language models continue to push the bounds of AI model size, they are also being trained on unprecedented volumes of data. While individual hospitals are estimated to produce petabytes of data per year, only a small fraction is currently being used for developing AI models. Additionally, with such data resources available, healthcare is well-positioned to benefit from the current trends in AI. Moreover, the inherently multi-modal and longitudinal nature of clinical data – from omics to imaging to unstructured notes – provides a fertile ground for the development and application of cutting-edge architectures like foundation models.

Gounley, John [Oak Ridge National Laboratory (ORNL↗

DOE OSTI2012

Spectral indices measurements using miniature fission chambers at the MINERVE zero-power reactor at CEA using calibration data obtained at the BR1 reactor at SCK.CEN

Spectral indices measurements performed in 2004 at the CEA MINERVE facility loaded with the R-UO{sub 2} lattice, using calibration data acquired at the SCK center dot CEN BR1 facility in 2001, resulted in ambivalent conclusions. On one hand, spectral indices involving only fissile isotopes gave consistent discrepancies between calculation and experiment. On the other hand, spectral indices involving both fissile and fertile isotopes, in particular the {sup 238}U(n, f)/{sup 235}U(n, f) spectral index, showed inconsistent results depending on the type of calibration data used. For different reasons, no definitive explanation was given at that time. In 2009, the preparation of the AMMON program at the EOLE facility motivated the manufacturing of a new set of detectors. At the same time, the re-installation of the R1-UO{sub 2} lattice in MINERVE provided the opportunity to carry out again a spectral indices measurement campaign. Nevertheless, although the isotopic compositions of active deposits were better known than previously, the comparison between experimental results and calculations still lead to inconsistent discrepancies. In April 2010, a new calibration series conducted again at the BR1 facility allowed the CEA to reanalyze the spectral indices measurements performed in 2009. With these very latest calibration data, experimental values of spectral indices finally matched calculations within the uncertainty margins. This paper also sums up the work that has been achieved to explain the incoherencies observed in 2004. (authors)

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2017

Climate, soil and plant functional types as drivers of global fine-root trait variation

Ecosystem functioning relies heavily on below-ground processes, which are largely regulated by plant fine-roots and their functional traits. However, our knowledge of fine-root trait distribution relies to date on local- and regional-scale studies with limited numbers of species, growth forms and environmental variation. We compiled a world-wide fine-root trait dataset, featuring 1115 species from contrasting climatic areas, phylogeny and growth forms to test a series of hypotheses pertaining to the influence of plant functional types, soil and climate variables, and the degree of manipulation of plant growing conditions on species fine-root trait variation. Most particularly, we tested the competing hypotheses that fine-root traits typical of faster return on investment would be most strongly associated with conditions of limiting versus favourable soil resource availability. We accounted for both data source and species phylogenetic relatedness. We demonstrate that: (i) Climate conditions promoting soil fertility relate negatively to fine-root traits favouring fast soil resource acquisition, with a particularly strong positive effect of temperature on fine-root diameter and negative effect on specific root length (SRL), and a negative effect of rainfall on root nitrogen concentration; (ii) Soil bulk density strongly influences species fine-root morphology, by favouring thicker, denser fine-roots; (iii) Fine-roots from herbaceous species are on average finer and have higher SRL than those of woody species, and N 2 -fixing capacity positively relates to root nitrogen; and (iv) Plants growing in pots have higher SRL than those grown in the field. Synthesis. This study reveals both the large variation in fine-root traits encountered globally and the relevance of several key plant functional types and soil and climate variables for explaining a substantial part of this variation. Climate, particularly temperature, and plant functional types were the two strongest predictors of fine-root trait variation. High trait variation occurred at local scales, suggesting that wide-ranging below-ground resource economics strategies are viable within most climatic areas and soil conditions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Above-ground net primary productivity in regenerating seasonally dry tropical forest: Contributions of rainfall, forest age and soil

Identifying factors controlling forest productivity is critical to understanding forest-climate change feedbacks, modelling vegetation dynamics and carbon finance schemes. However, little research has focused on productivity in regenerating tropical forests which are expanding in their fraction of global area have an order of magnitude larger carbon uptake rates relative to older forest. Here We examined above-ground net primary productivity (ANPP) and its components (wood production and litterfall) over 10 years in forest plots that vary in successional age, soil characteristics and species composition using band dendrometers and litterfall traps in regenerating seasonally dry tropical forests in northwestern Costa Rica. We show that the components of ANPP are differentially driven by age and annual rainfall and that local soil variation is important. Total ANPP was explained by a combination of age, annual rainfall and soil variation. Wood production comprised 35% of ANPP on average across sites and years, and was explained by annual rainfall but not forest age. Conversely, litterfall increased with forest age and soil fertility yet was not affected by annual rainfall. In this region, edaphic variability is highly correlated with plant community composition. Thus, variation in ecosystem processes explained by soil may also be partially explained by species composition. These results suggest that future changes in annual rainfall can alter the secondary forest carbon sink, but this effect will be buffered by the litterfall flux which varies little among years. In determining the long-term strength of the secondary forest carbon sink, both rainfall and forest age will be critical variables to track. We also conclude that detailed understanding of local site variation in soils and plant community may be required to accurately predict the impact of changing rainfall on forest carbon uptake. Synthesis. We show that in seasonally dry tropical forest, annual rainfall has a positive relationship with the growth of above-ground woody tissues of trees and that droughts lead to significant reductions in above-ground productivity. These results provide evidence for climate change—carbon cycle feedbacks in the seasonal tropics and highlight the value of longitudinal data on forest regeneration.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Bacterial, fungal, and plant communities exhibit no biomass or compositional response to two years of simulated nitrogen deposition in a semiarid grassland: Bacterial, fungal, and plant communities

Nitrogen (N) deposition affects myriad aspects of terrestrial ecosystem structure and function, and microbial communities may be particularly sensitive to anthropogenic N inputs. However, our understanding of N deposition effects on microbial communities is far from complete, especially for drylands where data are comparatively rare. To address the need for an improved understanding of dryland biological responses to N deposition, we conducted a two-year fertilization experiment in a semiarid grassland on the Colorado Plateau in the southwestern United States. We evaluated effects of varied levels of N inputs on archaeal, bacterial, fungal and chlorophyte community composition within three microhabitats: biological soil crusts (biocrusts), soil below biocrusts, and the plant rhizosphere. Surprisingly, N addition did not affect the community composition or diversity of any of these microbial groups; however, microbial community composition varied significantly among sampling microhabitats. Further, while plant richness, diversity, and cover showed no response to N addition, there were strong linkages between plant properties and microbial community structure. Overall, these findings highlight the potential for some dryland communities to have limited biotic ability to retain augmented N inputs, possibly leading to large N losses to the atmosphere and to aquatic systems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Using a Multi‐Institutional Ensemble of Watershed Models to Assess Agricultural Conservation Effectiveness in a Future Climate

This study investigates the combined impacts of climate change and agricultural conservation on the magnitude and uncertainty of nutrient loadings in the Maumee River Watershed, the second-largest watershed of the Laurentian Great Lakes. Two scenarios — baseline agricultural management and increased agricultural conservation — were assessed using an ensemble of five Soil and Water Assessment Tools driven by six climate models. The increased conservation scenario included raising conservation adoption rates from a baseline of existing conservation practices to feasible rates in the near future based on farmer surveys. This increased adoption of winter cover crops on 6%–10% to 60% of cultivated cropland; subsurface placement of phosphorus fertilizers on 35%–60% to 68% of cultivated cropland; and buffer strips intercepting runoff from 29%–34% to 50% of cultivated cropland. Increased conservation resulted in statistically significant (p ≤ 0.05) reductions in annual loads of total phosphorus (41%), dissolved reactive phosphorus (18%), and total nitrogen (14%) under the highest emission climate scenario (RCP 8.5). While nutrient loads decreased with increased conservation relative to baseline management for all watershed models, different conclusions on the true effectiveness of conservation under climate change may be drawn if only one watershed model was used.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Why Do Global Long-term Scenarios for Agriculture Differ? An overview of the AgMIP Global Economic Model Intercomparison

Recent studies assessing plausible futures for agricultural markets and global food security have had contradictory outcomes. Ten global economic models that produce long-term scenarios were asked to compare a reference scenario with alternate socio-economic, climate change and bioenergy scenarios using a common set of key drivers. Results suggest that, once general assumptions are harmonized, the variability in general trends across models declines, and that several common conclusions are possible. Nonetheless, differences in basic model parameters, sometimes hidden in the way market behavior is modeled, result in significant differences in the details. This holds for both the common reference scenario and for the various shocks applied. We conclude that agro-economic modelers aiming to inform the agricultural and development policy debate require better data and analysis on both economic behavior and biophysical drivers. More interdisciplinary modeling efforts are required to cross-fertilize analyses at different scales.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Spermatogonial stem cell organization in felid testis as revealed by Dolichos biflorus lectin

Summary Spermatogonial stem cells are being exploited in many species as a tool to recover fertility, but may also be used to manipulate the genetic pool. Whatever the purpose, these cells must be fully characterized and easily identifiable, and our goal was to improve this procedure in the domestic cat, used as an animal model for endangered felid species and for some human diseases/physiological processes. We have therefore screened several markers that might be used to distinguish and study the undifferentiated spermatogonia population in situ and in vitro via immunohistochemistry applied to tissue sections and whole mounts of the domestic cat seminiferous tubules. Our results show that, although they label the cytoplasm and nucleus of gonocytes and spermatogonia in pre‐pubertal animals, PGP 9.5 and FoxO1 cannot be considered markers of undifferentiated spermatogonia in adult animals, as almost all spermatogonia, namely type A and B, express these proteins. Nonetheless, the Dolichos biflorus agglutinin ( DBA lectin) was able to label the cell surface and cytoplasm of a small type A spermatogonial population in the adult animals. Analysis of the number and distribution of the DBA ‐labeled cells showed they were present in low number, which did not vary with epithelium seminiferous stage. Morphometric analysis revealed that DBA ‐labeled cells present tropism to a peculiar area of the seminiferous tubules, namely the area in direct contact with Leydig cells. Whole mounts of DBA ‐stained seminiferous tubules revealed the arrangement of DBA ‐stained cells in small clones up to eight cells. Noteworthy, the clonal cells presented variable staining intensity suggesting the existence of asymmetric distribution of O‐glycosylated proteins within each clone. Our results strongly suggest that the DBA lectin is a marker of undifferentiated spermatogonia in domestic cat, and illustrate the peculiar characteristics of spermatogonial stem cell development and organization in this species.

Escada‐Rebelo, S.↗

DOE OSTI2015

Crop rotational diversity enhances belowground communities and functions in an agroecosystem

Abstract Biodiversity loss, an important consequence of agricultural intensification, can lead to reductions in agroecosystem functions and services. Increasing crop diversity through rotation may alleviate these negative consequences by restoring positive aboveground–belowground interactions. Positive impacts of aboveground biodiversity on belowground communities and processes have primarily been observed in natural systems. Here, we test for the effects of increased diversity in an agroecosystem, where plant diversity is increased over time through crop rotation. As crop diversity increased from one to five species, distinct soil microbial communities were related to increases in soil aggregation, organic carbon, total nitrogen, microbial activity and decreases in the carbon‐to‐nitrogen acquiring enzyme activity ratio. This study indicates positive biodiversity–function relationships in agroecosystems, driven by interactions between rotational and microbial diversity. By increasing the quantity, quality and chemical diversity of residues, high diversity rotations can sustain soil biological communities, with positive effects on soil organic matter and soil fertility.

Tiemann, L. K.↗

DOE OSTI2023

Opportunities to advance the synthesis of ecology and evolution

Despite decades of research on the interactions between ecology and evolution, opportunities still remain to further integrate the two disciplines, especially when considering multispecies systems. Here, we discuss two such opportunities. First, the traditional emphasis on the distinction between evolutionary and ecological processes should be further relaxed as it is particularly unhelpful in the study of microbial communities, where the very notion of species is hard to define. Second, key processes of evolutionary theory such as adaptation should be exported to hierarchical levels higher than populations to make sense of biodiversity dynamics. Together, we argue that broadening our perspective of eco-evolutionary dynamics to be more inclusive of all biodiversity, both phylogenetically and hierarchically, will open up fertile new research directions and help us to address one of the major scientific challenges of our time, that is, to understand and predict changes in biodiversity in the face of rapid environmental change.

54 ENVIRONMENTAL SCIENCES↗