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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

The origin of the heterogeneous distribution of bismuth in aluminosilicate laser glasses

Abstract As one kind of novel and burgeoning laser materials, bismuth‐doped silicate glasses have aroused increasing attention for the super broadband near‐infrared (NIR) emission. However, the large optical scattering loss, resulting from optical heterogeneity in glass color and refractive index, limits their further applications in telecommunication system. Thus, it is urgent to uncover the essence of heterogeneity in Bi‐doped silicate glasses and subsequently improve glass optical performance. It will give us some hint to homogenize the glass component and Bi active centers so as to boost the development of Bi‐based glass materials. Here, taking 1 typical Bi‐doped calcium aluminosilicate glass as an example, we revealed the origin of the optical heterogeneities in glass color and refractive index through the NIR emission spectra, electron probe microanalyzer (EPMA) of elements and X‐ray photoelectron spectroscopy (XPS) of Bi 4f 5/2 , Bi 4f 7/2 , and Al 2p. The inhomogeneous distribution of Bi and aluminum components is responsible for the heterogeneity in this glass system. In addition, we found that tetrahedral coordinated aluminum favors the existence of Bi NIR centers, consequently resulting in enhanced Bi NIR emissions. Furthermore, based on our results and the role of Al 3+ in glass network, we demonstrate the homogenizing of glass component by finely tuning glass composition. This work will enrich the understanding of Bi‐doped laser glass and provide a guideline for the design of component‐derived Bi‐doped silicate glasses and fibers with efficient NIR emission and high optical quality.

Li, Xiaoman↗
DOE OSTI2018

Understanding the atomic and electronic origin of mechanical property in thaumasite and ettringite mineral crystals

Ettringite and thaumasite are 2 of the relevant secondary products in portland cement minerals. They are rare crystals with high water content. Two density functional theory based ab initio packages VASP and the OLCAO were used for exploring the geometry structure, electronic, and mechanical properties of ettringite and thaumasite. The calculations focus on the comparison of their structures and properties to gain insights that can reveal the minute difference in properties due to differences in their structure, composition and water content. Detailed analysis of interatomic bonding shows the similarities and subtle difference between them even though thaumasite has the Si tetrahedron as the backbone unit in contrast to ettringite with Al-columns and no Si atoms. Moreover, thaumasite has strong C–O bonds that are absent in ettringite, and ettringite has far more water molecules with a substantial contribution from the hydrogen bonding. It is shown that the role played by relatively strong S–O bonds in both crystals has a large impact on the hydration in these crystals. On the basis of calculated total bond order density, it is concluded that thaumasite is slightly more cohesive than ettringite consistent with the calculated mechanical properties. The detailed comparative results for these 2 important minerals we obtained in this paper, many of them for the first time, will pave the way to understanding the structure and electronic structure origin of other more complex cement crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Compositional evidence for chondrule origins of low‐Ca pyroxenes in comet Wild 2 and a giant cluster IDP

Abstract A literature compilation of 1136 low‐Ca pyroxene compositions from chondrules from 12 primitive type 2–3 carbonaceous, ordinary and enstatite chondrite groups define unique regions on an Al 2 O 3 and Cr 2 O 3 diagram when compared to low‐Ca pyroxenes from equilibrated type 4‐6 chondrites. Measured compositions of 100 low‐Ca pyroxenes from comet Wild 2 and a giant cluster IDP of probable cometary origin are similar to each other and fall in the type 2–3 chondrite chondrule region suggesting that most of the pyroxenes likely formed in the solar nebula like conventional chondrules. The data imply that most low Ca‐pyroxenes from comet Wild 2 and the giant cluster IDP formed from igneous crystallization processes and did not experience significant thermal metamorphism, indicating that the low‐Ca pyroxenes were unlikely incorporated into large parent bodies prior to accretion in their respective comet bodies. An intriguing group of nine low‐Ca pyroxenes from comet Wild 2 with low Cr and Al that fall where type 4–6 chondrites are located are interpreted as products of condensation. The compositional data combined with previously measured oxygen isotopes on 17 low‐Ca pyroxenes support earlier conclusions that comet samples have links with carbonaceous, ordinary, and possibly enstatite chondrite groups. Our results provide additional evidence that comets accreted materials from multiple chondrule reservoirs throughout the solar nebula.

Geochemistry & Geophysics↗
DOE OSTI2018

The origin and evolution of mycorrhizal symbioses: from palaeomycology to phylogenomics

Contents Summary 1012 I. Introduction 1013 II. The mycorrhizal symbiosis at the dawn and rise of the land flora 1014 III. From early land plants to early trees: the origin of roots and true mycorrhizas 1016 IV. The diversification of the AM symbiosis 1019 V. The ECM symbiosis 1021 VI. The recently evolved ericoid and orchid mycorrhizas 1023 VII. Limits of paleontological vs genetic approaches and perspectives 1023 Acknowledgements 1025 References 1025 Summary The ability of fungi to form mycorrhizas with plants is one of the most remarkable and enduring adaptations to life on land. The occurrence of mycorrhizas is now well established in c . 85% of extant plants, yet the geological record of these associations is sparse. Fossils preserved under exceptional conditions provide tantalizing glimpses into the evolutionary history of mycorrhizas, showing the extent of their occurrence and aspects of their evolution in extinct plants. The fossil record has important roles to play in establishing a chronology of when key fungal associations evolved and in understanding their importance in ecosystems through time. Together with calibrated phylogenetic trees, these approaches extend our understanding of when and how groups evolved in the context of major environmental change on a global scale. Phylogenomics furthers this understanding into the evolution of different types of mycorrhizal associations, and genomic studies of both plants and fungi are shedding light on how the complex set of symbiotic traits evolved. Here we present a review of the main phases of the evolution of mycorrhizal interactions from palaeontological, phylogenetic and genomic perspectives, with the aim of highlighting the potential of fossil material and a geological perspective in a cross‐disciplinary approach.

Strullu‐Derrien, Christine↗
DOE OSTI2026

Toward the origins of binding energy shifts and “satellites” formation during plasma-XPS measurements

In-plasma x-ray photoelectron spectroscopy (plasma-XPS) emerges as a powerful platform for real-time, in situ chemical analysis under conditions relevant to semiconductor processing and other plasma-enabled technologies. This study investigates the origins of binding energy (BE) shifts and the formation of “satellite” peaks observed during plasma-XPS measurements across conductive, dielectric, and gas-phase systems. Using a standard laboratory-based ambient pressure XPS apparatus coupled with an alternating current (AC)-driven capacitively coupled plasma source, we demonstrate that metastable surface species, such as transient Au oxides, can be detected during plasma exposure, revealing chemical states that are hardly accessible using conventional ultrahigh vacuum (UHV) XPS. In dielectric samples (e.g., undoped diamond, sapphire), we observe pressure- and plasma-type-dependent BE shifts of more than 50 eV, attributed to x-ray-induced and plasma-mediated surface charging. These shifts are mitigated at higher pressures/plasmas or in electronegative plasmas (e.g., O 2 ), the latter due to enhanced charge compensation mechanisms involving slow negative ions. For gas-phase species, AC-plasma excitation leads to spectral broadening and the emergence of “satellite” peaks with energy separations of a few electron volts, linked to oscillating local plasma potentials in the probing volume. Furthermore, these findings highlight the complex and important interplay between plasma parameters, surface charging, and local electric fields in shaping XPS spectra. Overall, plasma-XPS emerges as a critical metrological tool for probing transient surface chemistry, with implications for semiconductor processing, material synthesis, and plasma diagnostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Optical design of PICO: a concept for a space mission to probe inflation and cosmic origins

The Probe of Inflation and Cosmic Origins (PICO) is a probe-class mission concept currently under study by NASA. PICO will probe the physics of the Big Bang and the energy scale of inflation, constrain the sum of neutrino masses, measure the growth of structures in the universe, and constrain its reionization history by making full sky maps of the cosmic microwave background with sensitivity 80 times higher than the Planck space mission. With bands at 21-799 GHz and arcmin resolution at the highest frequencies, PICO will make polarization maps of Galactic synchrotron and dust emission to observe the role of magnetic fields in Milky Way's evolution and star formation. We discuss PICO's optical system, focal plane, and give current best case noise estimates. The optical design is a two-reflector optimized open-Dragone design with a cold aperture stop. It gives a diffraction limited field of view (DLFOV) with throughput of 910 cm 2 sr at 21 GHz. The large 82 square degree DLFOV hosts 12,996 transition edge sensor bolometers distributed in 21 frequency bands and maintained at 0.1 K. We use focal plane technologies that are currently implemented on operating CMB instruments including three-color multi-chroic pixels and multiplexed readouts. To our knowledge, this is the first use of an open-Dragone design for mm-wave astrophysical observations, and the only monolithic CMB instrument to have such a broad frequency coverage. Finally, with current best case estimate polarization depth of 0.65 μKCMB-arcmin over the entire sky, PICO is the most sensitive CMB instrument designed to date.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

PICO - the probe of inflation and cosmic origins

Downloading of the abstract is permitted for personal use only. The Probe of Inflation and Cosmic Origins (PICO) is a NASA-funded study of a Probe-class mission concept. The toplevel science objectives are to probe the physics of the Big Bang by measuring or constraining the energy scale of inflation, probe fundamental physics by measuring the number of light particles in the Universe and the sum of neutrino masses, to measure the reionization history of the Universe, and to understand the mechanisms driving the cosmic star formation history, and the physics of the galactic magnetic field. PICO would have multiple frequency bands between 21 and 799 GHz, and would survey the entire sky, producing maps of the polarization of the cosmic microwave background radiation, of galactic dust, of synchrotron radiation, and of various populations of point sources. Several instrument configurations, optical systems, cooling architectures, and detector and readout technologies have been and continue to be considered in the development of the mission concept. We will present a snapshot of the baseline mission concept currently under development.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Light-induced ultrafast spin transport in multilayer metallic films originates from sp-d spin exchange coupling

Ultrafast interaction between the femtosecond laser pulse and the magnetic metal provides an efficient way to manipulate the magnetic states of matter. Numerous experimental advancements have been made on multilayer metallic films in the last two decades. However, the underlying physics remains unclear. Here, relying on an efficient ab initio spin dynamics simulation algorithm, we revealed the physics that can unify the progress in different experiments. We found that light-induced ultrafast spin transport in multilayer metallic films originates from the sp - d spin-exchange interaction, which can induce an ultrafast, large, and pure spin current from ferromagnetic metal to nonmagnetic metal without charge carrier transport. The resulting trends of spin demagnetization and spin flow are consistent with most experiments. It can explain a variety of ultrafast light-spin manipulation experiments with different systems and different pump-probe technologies, covering a wide range of work in this field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Multiple origins of extra electron diffractions in fcc metals

Diffuse intensities in the electron diffraction patterns of concentrated face-centered cubic solid solutions have been widely attributed to chemical short-range order, although this connection has been recently questioned. This article explores the many nonordering origins of commonly reported features using a combination of experimental electron microscopy and multislice diffraction simulations, which suggest that diffuse intensities largely represent thermal and static displacement scattering. A number of observations may reflect additional contributions from planar defects, surface terminations incommensurate with bulk periodicity, or weaker dynamical effects.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Molecular origin of anisotropic shear elastoplasticity in chitin

Chitin nano- and mesoscale structures present in the exoskeleton of crustaceans exhibit exceptional longitudinal stiffness and toughness, rivaling or even exceeding that of many synthetic polymer architectures. Here, we reveal the origin of the asymmetric shear response in chitin multiscale architectures, marked by pronounced anisotropy in deformation. Under shear aligned with the molecular axis, chitin accommodates strain through coherent atomic rearrangements that enable elastic recovery. In contrast, shear applied perpendicular to this axis induces liquid-like plasticity via localized sliding. These results demonstrate the intrinsic mechanical anisotropy of chitin, underpinning a dual function in resisting repetitive loading while dissipating internal stress during high-strain events. Our findings establish the molecular basis of shear elastoplasticity in multiscale chitin structures, wherein axial elasticity supports energy storage in load-bearing regions, whereas transverse plasticity enables controlled energy dissipation. These atomic-scale insights lay a foundation for the predictive design of chitin-based materials with tunable strength-toughness profiles.

Wan, Zhangmin [University of British Columbia, Van↗
DOE OSTI2026

$\mathscr{PT}$ symmetry enforced twin exchange as the origin of chirality-induced spin selectivity

Chiral molecules, ubiquitous in chemistry and biology, can differentiate electrons by their spin, a phenomenon known as chirality-induced spin selectivity (CISS). Despite its robustness and technological relevance, CISS has resisted conventional explanation: Spin-orbit coupling (SOC) models cannot fully account for the observed magnitude, room-temperature persistence, or equilibrium signatures. Here, we argue that structural chirality enforces a twin-pair exchange mechanism via the indistinguishability principle, which intrinsically couples spin and spatial degrees of freedom such that wave functions cannot be factorized into spin and spatial components. We derive an effective Hamiltonian that describes both transport and equilibrium CISS phenomena and is non-Hermitian. However, the inherent pseudo-Hermiticity, with $\mathscr{PT}$ symmetry as a special case, ensures real eigenvalues and thermodynamic consistency. We demonstrate that our framework is a step toward resolving long-standing anomalies of CISS. It situates CISS alongside equilibrium symmetry-breaking phenomena such as ferromagnetism and superconductivity, with implications for spintronics, catalysis, and the origins of biological homochirality.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Understanding the origins of human cancer

All cancers originate from a single cell that starts to behave abnormally, to divide uncontrollably, and, eventually, to invade adjacent tissues (1). The aberrant behavior of this single cell is due to somatic mutations—changes in the genomic DNA produced by the activity of different mutational processes (1). These various mutational processes include exposure to exogenous or endogenous mutagens, abnormal DNA editing, the incomplete fidelity of DNA polymerases, and failure of DNA repair mechanisms (2). Early studies that sequenced TP53, the most commonly mutated gene in human cancer, provided evidence that mutational processes leave distinct imprints of somatic mutations on the genome of a cancer cell (3). For example, C:G>A:T transversions predominate in smoking-associated lung cancer, whereas C:G>T:A transitions occurring mainly at dipyrimidines and CC:GG>TT:AA double-nucleotide substitutions are common in ultraviolet light–associated skin cancers. Moreover, these patterns of mutations matched the ones induced experimentally by tobacco mutagens and ultraviolet light, respectively, the major, known, exogenous carcinogenic influences in these cancer types, and demonstrated that examining patterns of mutations in cancer genomes can yield information about the mutational processes that cause human cancer (4).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species

The regulation of the interferon type I (IFN-I) response has been shown to rely on posttranslational modification by ubiquitin (Ub) and Ub-like interferon-stimulated gene product 15 (ISG15) to stabilize, or activate, a variety of IFN-I signaling and downstream effector proteins. Unlike Ub, which is almost perfectly conserved among eukaryotes, ISG15 is highly divergent, even among mammals. Since zoonotic viruses rely on viral proteins to recognize, or cleave, ISG15 conjugates in order to evade, or suppress, innate immunity, the impact of ISG15 biodiversity on deISGylating proteases of the ovarian tumor family (vOTU) from nairoviruses was evaluated. In this work, the enzymatic activities of vOTUs originating from the Crimean-Congo hemorrhagic fever virus, Erve virus, and Nairobi sheep disease virus were tested against ISG15s from humans, mice, shrews, sheep, bats, and camels, which are mammalian species known to be infected by nairoviruses. This along with investigation of binding by isothermal titration calorimetry illustrated significant differences in the abilities of nairovirus deISGylases to accommodate certain species of ISG15. To investigate the molecular underpinnings of species preferences of these vOTUs, a structure was determined to 2.5 Å for a complex of Erve virus vOTU protease and a mouse ISG15 domain. This structure revealed the molecular basis of Erve virus vOTU's preference for ISG15 over Ub and the first structural insight into a nonhuman ISG15. This structure also revealed key interactions, or lack thereof, surrounding three amino acids that may drive a viral deISgylase to prefer an ISG15 from one species over that of another. Importance: Viral ovarian tumor domain proteases (vOTUs) are one of the two principal classes of viral proteases observed to reverse posttranslational modification of host proteins by ubiquitin and interferon-stimulated gene product 15 (ISG15), subsequently facilitating downregulation of IFN-I signaling pathways. Unlike the case with ubiquitin, the amino acid sequences of ISG15s from various species are notably divergent. We illustrate that vOTUs have clear preferences for ISG15s from certain species. In addition, these observations are related to the molecular insights acquired via the first X-ray structure of the vOTU from the Erve nairovirus in complex with the first structurally resolved nonhuman ISG15. This information implicates certain amino acids that drive the preference of vOTUs for ISG15s from certain species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

The Origin, Succession, and Predicted Metabolism of Bacterial Communities Associated with Leaf Decomposition

Intraspecific variation in plant nutrient and defensive traits can regulate ecosystem-level processes, such as decomposition and transformation of plant carbon and nutrients. Understanding the regulatory mechanisms of ecosystem functions at local scales may facilitate predictions of the resistance and resilience of these functions to change. We evaluated how riverine bacterial community assembly and predicted gene content corresponded to decomposition rates of green leaf inputs from red alder trees into rivers of Washington State, USA. Previously, we documented accelerated decomposition rates for leaves originating from trees growing adjacent to the site of decomposition versus more distant locales, suggesting that microbes have a “home-field advantage” in decomposing local leaves. Here, we identified repeatable stages of bacterial succession, each defined by dominant taxa with predicted gene content associated with metabolic pathways relevant to the leaf characteristics and course of decomposition. “Home” leaves contained bacterial communities with distinct functional capacities to degrade aromatic compounds. Given known spatial variation of alder aromatics, this finding helps explain locally accelerated decomposition. Bacterial decomposer communities adjust to intraspecific variation in leaves at spatial scales of less than a kilometer, providing a mechanism for rapid response to changes in resources such as range shifts among plant genotypes. Such rapid responses among bacterial communities in turn may maintain high rates of carbon and nutrient cycling through aquatic ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Dual origin of pairing in nuclei

The pairing correlations of the nucleus {sup 120}Sn are calculated by solving the Nambu–Gor’kov equations, including medium polarization effects resulting from the interweaving of quasiparticles, spin and density vibrations, taking into account, within the framework of nuclear field theory (NFT), processes leading to self-energy and vertex corrections and to the induced pairing interaction. From these results one can not only demonstrate the inevitability of the dual origin of pairing in nuclei, but also extract information which can be used at profit to quantitatively disentangle the contributions to the pairing gap Δ arising from the bare and from the induced pairing interaction. The first is the strong {sup 1}S{sub 0} short-range NN potential resulting from meson exchange between nucleons moving in time reversal states within an energy range of hundreds of MeV from the Fermi energy. The second results from the exchange of vibrational modes between nucleons moving within few MeV from the Fermi energy. Short- (v{sub p}{sup bare}) and long-range (v{sub p}{sup ind}) pairing interactions contribute essentially equally to nuclear Cooper pair stability. That is to the breaking of gauge invariance in open-shell superfluid nuclei and thus to the order parameter, namely to the ground state expectation value of the pair creation operator. In other words, to the emergent property of generalized rigidity in gauge space, and associated rotational bands and Cooper pair tunneling between members of these bands.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Evaluated Cross Sections of Photoneutron Reactions on the Isotope {sup 116}Sn and Spectra of Neutrons Originating from These Reactions

With the aid of the results obtained by evaluating cross sections of partial photoneutron reactions on the isotope {sup 116}Sn and the energy spectra of neutrons originating from these reactions, the possible reasons for the well-known discrepancies between the results of different photonuclear experiments were studied on the basis of a combinedmodel of photonuclear reactions. On the basis of physical criteria of data reliability and an experimental–theoretical method for evaluating cross sections of partial reactions, it was found that these discrepancies were due to unreliably redistributing neutrons between (γ, 1n), (γ, 2n), and (γ, 3n) reactions because of nontrivial correlations between the experimentally measured energy of neutrons and their multiplicity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

An origin of orange (2 eV) photoluminescence in SiO{sub 2} films implanted with high Si{sup +}-ion doses

The photoluminescence and photoluminescence excitation spectra of SiO{sub 2} films implanted with high (3 at %) Si{sup +}-ion doses are studied in relation to the temperature of postimplantation annealing. It is shown that two photoluminescence bands with peaks at 2.7 and 2 eV are dominant in the spectra. As the annealing temperature is increased, the relation between the intensities of the 2.7 and 2 eV bands changes in favor of the former one. Both of the photoluminescence bands have their main excitation peak at the energy 5.1 eV. The excitation spectrum of the ∼2-eV band exhibits also peaks at 3.8 and 4.6 eV. It is concluded that, in the implanted SiO{sub 2} films, the orange photoluminescence band originates from radiative transitions between levels of centers associated with a deficiency of oxygen (≡Si–Si≡ or =Si:) and the levels of nonbridging oxygen (≡Si–O•)

36 MATERIALS SCIENCE↗
DOE OSTI2020

Origins of East Asian Summer Monsoon Seasonality

The East Asian summer monsoon is unique among summer monsoon systems in its complex seasonality, exhibiting distinct intraseasonal stages. Previous studies have alluded to the downstream influence of the westerlies flowing around the Tibetan Plateau as key to its existence. We explore this hypothesis using an atmospheric general circulation model that simulates the intraseasonal stages with fidelity. Without a Tibetan Plateau, East Asia exhibits only one primary convective stage typical of other monsoons. As the plateau is introduced, the distinct rainfall stages—spring, pre-mei-yu, mei-yu, and midsummer—emerge, and rainfall becomes more intense overall. This emergence coincides with a pronounced modulation of the westerlies around the plateau and extratropical northerlies penetrating northeastern China. The northerlies meridionally constrain the moist southerly flow originating from the tropics, leading to a band of lower-tropospheric convergence and humidity front that produces the rainband. The northward migration of the westerlies away from the northern edge of the plateau leads to a weakening of the extratropical northerlies, which, coupled with stronger monsoonal southerlies, leads to the northward migration of the rainband. When the peak westerlies migrate north of the plateau during the midsummer stage, the extratropical northerlies disappear, leaving only the monsoon low-level circulation that penetrates northeastern China; the rainband disappears, leaving isolated convective rainfall over northeastern China. In short, East Asian rainfall seasonality results from the interaction of two seasonally evolving circulations—the monsoonal southerlies that strengthen and extend northward, and the midlatitude northerlies that weaken and eventually disappear—as summer progresses.

54 ENVIRONMENTAL SCIENCES↗