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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cosmological moduli and non-perturbative production of axions

Cosmological moduli generically come to dominate the energy density of the early universe, and thereby trigger an early matter dominated era. Such non-standard cosmological histories are expected to have profound effects on the evolution and production of axion cold dark matter and dark radiation, as well as their prospects for detection. We consider moduli-axion couplings and investigate the early history of the coupled system, considering closely the evolution of the homogeneous modulus field, the back-reaction from the axion, and the energy densities of the two fields. A particular point of interest is the enhancement of axion production from modulus decay, due to tachyonic and parametric resonant instabilities, and the implications of such production on the cosmological moduli problem, axion dark radiation, and the available parameter space for axion dark matter. Using an effective field theory approach, WKB-based semi-analytical analysis, and detailed numerical estimates of the co-evolution of the system, we evaluate the expected decay efficiency of the modulus to axions. The effects of higher-order operators are studied and implications for UV-complete frameworks such as the Large Volume Scenarios in Type IIB string theory are considered in detail.

Axions and ALPs↗
DOE OSTI2024

A New Simple-to-Configure Self-Perturbing Multivariable Extremum-Seeking Controller

This paper presents a new stochastic relay-based extremum-seeking controller (ESC) for multi-input-single-output (MISO) systems. The algorithm was developed with the goal of simplifying configuration to enable easier deployment to real-world problems. A solution is developed first for a static map and then adapted for a general class of dynamic systems. The number of configurable parameters is one per input channel for the static case and only one additional parameter is needed for the dynamic version. The problem of gradient identifiability is solved via the use of stochastic relay gains and a simple stability proof for the static case is presented. Simulation tests demonstrate the performance of the strategy for optimizing both static and dynamic systems.

Salsbury, Timothy [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2025

Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory

Quantum mechanical calculations of core electron binding energies (CEBEs) are relevant to interpreting X-ray photoelectron spectroscopy (XPS). Orbital-optimized density functional theory (OO-DFT) accurately predicts K-edge CEBEs but is challenged by the presence of significant spin–orbit coupling (SOC) at L- and higher edges involving inner-shell orbitals with nonzero angular momentum. Here, to extend OO-DFT to L-edges and higher, our method utilizes scalar-relativistic, spin-restricted open-shell OO-DFT to construct a minimal, quasi-degenerate basis of core-hole states corresponding to a chosen inner-shell (e.g., ionizing all six possible 2p spin orbitals). Nonorthogonal configuration interaction (NOCI) is then used to obtain the matrix elements of the full Hamiltonian including SOC in this quasi-degenerate model space of determinants. Using a screened 1-electron SOC operator parametrized with the Dirac-Coulomb-Breit (DCB) Hamiltonian results in doublet splitting (DS) values for third row elements that are nearly in quantitative agreement with experiment. The resulting NOCI eigenvalues are shifted by the average of the (scalar) OO-DFT CEBEs to yield CEBEs (split by SOC) corrected for dynamic correlation. Comparing calculations on gas phase molecules with experimental results establishes that NO-QDPT with the SCAN functional (NO-QDPT/SCAN), using the DCB screened 1-electron SOC operator is accurate to about 0.2 eV for L-edge CEBEs of molecules containing third row atoms. However, this NO-QDPT approach becomes less accurate for fourth-row elements starting in the middle of the 3d transition metal series, with errors increasing as atomic number increases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Ultrafast Optically Induced Perturbation of Oxygen Octahedral Rotations in Multiferroic BiFeO 3 Thin Films

The functional properties of complex oxides, including magnetism and ferroelectricity, are closely linked to subtle structural distortions. Ultrafast optical excitations provide the means to manipulate structural features and ultimately to affect the functional properties of complex oxides with picosecond-scale precision. Here, we report that the lattice expansion of multiferroic BiFeO 3 following above-bandgap optical excitation leads to distortion of the oxygen octahedral rotation (OOR) pattern. The continuous coupling between OOR and strain was probed using time-resolved X-ray free-electron laser diffraction with femtosecond time resolution. Density functional theory calculations predict a relationship between the OOR and the elastic strain consistent with the experiment, demonstrating a route to employing this approach in a wider range of systems. Ultrafast control of the functional properties of BiFeO 3 thin films is enabled by this approach because the OOR phenomena are related to ferroelectricity, and via the Fe-O-Fe bond angles, the superexchange interaction between Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Gold-Induced Chemical Perturbations in CdTe-Based Photovoltaic Cells

Back-contacting p-type CdTe has been identified as one of the major areas of loss in CdTe photovoltaic (PV) power conversion efficiency (PCE). In research settings, Au is a common contact material due to its ease of use and decent performance. This work provides a detailed investigation into using gold for back contacting As-doped, CdCl 2 -treated, polycrystalline CdTe that has been exposed to air after absorber processing, another routine practice. First, X-ray photoemission spectroscopy (XPS) is used to determine the native oxide to be 1.6 nm of CdTeO 3 by using a combination of angle-resolved XPS and the cadmium-modified Auger parameter. During gold metallization of CdTe, oxygen and oxidized tellurium are eliminated from the thin CdTeO 3 native oxide. The fates of the released oxygen and possibly cadmium and tellurium are not known, but these reaction byproducts can enter the absorber bulk or grain boundaries, stay at the interface, or dissolve in the Au. Interfacial hole barriers between CdTe and Au are measured for samples with and without the native oxide present prior to metallization. Results show that the thin CdTeO 3 alleviates the downward band bending by 40 meV from 470 to 430 meV even though it is consumed during interface formation. The implications of these chemical reactions on the device are assessed through photoluminescence (PL) spectroscopy, which shows losses in internal open circuit voltage (iVoc) from 820 to 795 meV, carrier lifetime from 123 to 45 ns, and PL quantum yield from 2.9 × 10 −5 to 1.2 × 10 −5 . Modeling timeresolved PL lifetimes demonstrates the back surface recombination velocity due to metallization reduces minority carrier lifetimes. These results identify the native oxide and show that it plays an important role in mediating downward band bending along with how the back interface reaction can negatively impact device-scale parameters and reduce PV PCE.

14 SOLAR ENERGY↗
DOE OSTI2024

Adjustments to Climate Perturbations—Mechanisms, Implications, Observational Constraints

Since the 5th Assessment Report of the Intergovernmental Panel on Climate Change (AR5) an extended concept of the energetic analysis of climate change including forcings, feedbacks and adjustment processes has become widely adopted. Adjustments are defined as processes that occur in response to the introduction of a climate forcing agent, but that are independent of global-mean surface temperature changes. Most considered are the adjustments that impact the Earth energy budget and strengthen or weaken the instantaneous radiative forcing due to the forcing agent. Some adjustment mechanisms also impact other aspects of climate not related to the Earth radiation budget. Since AR5 and a following description by Sherwood et al., much research on adjustments has been performed and is reviewed here. We classify the adjustment mechanisms into six main categories, and discuss methods of quantifying these adjustments in terms of their potentials, shortcomings and practicality. We furthermore describe aspects of adjustments that act beyond the energetic framework, and we propose new ideas to observe adjustments or to make use of observations to constrain their representation in models. Altogether, the problem of adjustments is now on a robust scientific footing, and better quantification and observational constraint is possible. This allows for improvements in understanding and quantifying climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Perturbation of soil organic carbon induced by land-use change from primary forest

Abstract The impact of land-use change (LUC) on soil organic carbon (SOC) has been a wide concern of land management policymakers because CO 2 emissions induced by LUC have been the second largest carbon source worldwide. However, due to insufficient data quality and limited biome coverage, a global big picture of the impact of LUC on SOC is still not clear. This study conducted a meta-analysis on 288 independent observations sourced from 62 peer-reviewed papers to provide a global summary of the change in SOC after the conversion of primary forests into other land-use types. The conversion of primary forest to cropland resulted in the most severe SOC loss (−33.2%), followed by conversion into plantation forests (−22.3%) and secondary forests (−19.1%). Nonetheless, SOC increased by 9.1% after a conversion from primary forests into pasture. More SOC loss was found at sites with lower precipitation for primary forests converted to cropland and plantation forests. The SOC loss decreased consistently with increasing mean annual temperature (MAT) for all four types of LUC. Moreover, the loss of SOC tended to worsen over time when primary forests are converted to cropland or plantation forests. In contrast, SOC loss recovered over time following conversion to secondary forests. The gain of SOC gradually increased over time after conversion to pastures. To conclude, the changes in SOC are related not only to the land-use type but also to precipitation, temperature and turn years after LUC. Due to limited data, this study focuses on soil profiles within 30 cm depth, and future research should explore SOC dynamics induced by LUC at greater depths. Overall, cases of SOC loss of approximately 30% following deforestation were very common (except for conversion to pasture), and the results of this study show that the loss of SOC following LUC should be carefully considered and monitored in land management.

Zhang, Zhiyuan (ORCID:0000000223407001)↗
DOE OSTI2024

Perturbation of tonoplast sucrose transport alters carbohydrate utilization for seasonal growth and defense metabolism in coppiced poplar

Abstract Nonstructural carbohydrate reserves of stems and roots underpin overall tree fitness and productivity under short-rotation management practices such as coppicing for bioenergy. While sucrose and starch comprise the predominant stem carbohydrate reserves of Populus, utilization for fitness and agricultural productivity is understood primarily in terms of starch turnover. The tonoplast sucrose transport protein SUT4 modulates sucrose export from source leaves to distant sinks during photoautotrophic growth, but the possibility of its involvement in remobilizing carbohydrates from storage organs during heterotrophic growth has not been explored. Here, we used PtaSUT4-knockout mutants of Populus tremula × P. alba (INRA 717-1B4) in winter (cool) and summer (warm) glasshouse coppicing experiments to assess SUT4 involvement in reserve utilization. Conditions preceding and supporting summer sprouting were considered favorable for growth, while those preceding and supporting cool temperature sprouting were suboptimal akin to conditions associated with coppicing as generally practiced. Epicormic bud emergence was delayed in sut4 mutants following lower temperature ‘winter’ but not summer coppicing. Winter xylem hexose increases were observed in control but not in sut4 stumps after coppicing. The magnitude of starch and sucrose reserve depletion was similar in control and sut4 stumps during the winter and did not explain the sprouting and xylem hexose differences. However, winter maintenance costs appeared higher in sut4 based partly on Krebs cycle intermediate levels. In control plants, bark accrual of abundant defense metabolites, including salicinoids and condensed tannins, was higher in summer than in winter, but this increase of summer defense allocations was attenuated in sut4 mutants. Temperature-sensitive trade-offs between growth and other priorities may therefore depend on SUT4 in Populus.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Nonperturbative and perturbative dynamics of a light QCD axion: Dark matter and the strong 𝐶⁢𝑃 problem

Considerable theoretical efforts have gone into expanding the reach of the quantum chromodynamics (QCD) axion beyond its canonical mass–decay-constant relation. The 𝑍 𝒩 QCD axion model reduces the QCD axion mass naturally, by invoking a discrete 𝑍 𝒩 symmetry through which the axion field is coupled to 𝒩 copies of the Standard Model. Before the QCD phase transition at temperature 𝑇 QCD , the 𝑍 𝒩 potential has a minimum at misalignment angle 𝜃 = 𝜋. At 𝑇 QCD , 𝜃 = 𝜋 becomes a maximum; the axion potential becomes exponentially suppressed and develops 𝒩 minima—only one of which actually solves the strong 𝐶⁢𝑃 problem. Before 𝑇 QCD , 𝜃 relaxes toward 𝜋. After 𝑇 QCD , the axion field starts from around the hilltop and may have sufficient kinetic energy to overcome the newly suppressed potential barriers. Such a field evolution leads to nonperturbative effects via the self-interactions near the hilltop, which can cause the exponential growth of fluctuations and backreaction on the coherent motion. This behavior can influence the relic density of the field and the minimum in which it settles. We conduct the first lattice simulations of the 𝑍 𝒩 QCD axion using 𝒞osmoℒattice to accurately calculate dark matter abundances and find nonperturbative dynamics reduce the abundance by up to a factor of two. We furthermore find that the probability of solving the strong 𝐶⁢𝑃 problem tends to diverge considerably from the naïve expectation of 1/𝒩.

Axions↗
DOE OSTI2024

Investigation of the Impact of Flow on MHD Perturbations with the NIMROD Code (Final Report)

This work will enable improved understanding of tokamak edge flows and impurity-species dynamics and their impact on MHD stability as it relates to ELMs, RMPs and QH-mode by leveraging computational developments of the NIMROD code. Experimentally, it is established that the tokamak flows and impurities species can have a substantial effect on MHD stability. This is particularly true for the edge plasma where, for example, large flow shear is correlated with the occurrence of the Quiescent H-mode (QH- mode) state as opposed to operation with edge localized modes (ELMs). Understanding plasma flows is challenging because of the many physical effects that come into play: particle orbits loss, neutrals dynamics, and interaction between multiple ion species with decoupled motion. We will develop a model that incorporates multiple ion species into the MHD framework that includes self-consistent magnetic-field evolution. With this model we will understand how the presence of impurities impacts the tokamak edge-pedestal flows. Finally, we will quantify the impact of the new multiple species modeling on 3D QH-mode simulations. This work will have broader impacts on all MHD studies when multiple species are present (as is the case in modern tokamaks), as well as contributing to the edge and transport communities who also are interested in the studies of multiple-ion-species flows in the edge pedestal region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

VARI3D & PERSENT: Perturbation and Sensitivity Analysis (Revision 5)

The nodal diffusion method is one of the most widely used approaches in modern reactor analysis. In the nodal diffusion method, a coarse multi-group set of “homogenized” parameters is constructed such that the complex geometry of a reactor core along with the energy dependence of neutron and gamma ray cross sections in a nuclear reactor are conserved in the simpler geometry. The homogenization is typically done on a fuel assembly level as is the case in the DIF3D code developed at Argonne National Laboratory. The nodal methodology is used primarily to predict fuel cycle behavior of nuclear systems of which there is a substantial amount of validation in the literature. Another use of the nodal method is to obtain reactivity coefficients and kinetics parameters for use in a safety analysis of a given nuclear reactor. While there are many ways to obtain reactivity worth and kinetics parameters, the work presented in this manuscript is unique as it provides the user with the ability to compute reactivity worths, kinetics parameters, and cross section sensitivities with a Cartesian and hexagonal geometry-based transport code.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗