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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Vibronic Effects in the Ultrafast Interfacial Electron Transfer of Perylene-Sensitized TiO 2 Surfaces

We combine ultrafast transient absorption (TA) spectroscopy and nonadiabatic quantum dynamics simulations to describe the real-time unfold of vibronic effects on the photoabsorption of TiO 2 anatase sensitized with the (perylen-9-yl)carboxylate dye (Pe-COOH/TiO2). The excited state is mapped in time and frequency by ultrafast broadband spectroscopy while atomistic quantum dynamics is used to simulate the self-consistent vibronic effects. The TA map shows the lifetime of the electronic population generated in the S 1 state of the dye and the rise of the absorption D 0 –D 1 of the cation. The theoretical analysis reveals that the electron transfer from perylene into TiO2 is complete within 20 fs, in agreement with the 12 fs experimental measurement. Because of the structural relaxation produced by the photoinduced electron transfer, the optical gap decreases by 390 meV, in agreement with the D 0 –D 1 transition band. Furthermore, the reorganization energy estimated to be around 220 meV is mostly due to the energy shift of the HOMO level, since the electron transfer occurs in the wide-band limit with little dependence on reorganization energy modes. By assuming the Condon approximation and by making use of the mixed quantum/classical trajectories of the Pe-COOH/TiO 2 system, the absorption spectrum is calculated, and the broad features of the transient absorption spectrum are correlated to excited-state nuclear reorganization effects of the adsorbate dye. The reorganization energy modes are identified by the power spectrum of the velocity autocorrelation function, which shows the occurrence of nonequilibrium modes within the range 1000–1800 cm –1 as in-plane asymmetric C–C vibrations in the perylene dye. The vibrational modes with the strongest influence on the optical gap contribute to shifting the absorption spectrum up in energy by ~2000 cm –1 . Finally, the overall agreement between theory and experiment reveals the capabilities of both methods to study vibronic effects in molecular and extended systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Foreground contamination in Lyα intensity mapping during the epoch of reionization

The intensity mapping of Lyα emission during the epoch of reionization will be contaminated by foreground emission lines from lower redshifts. We calculate the mean intensity and the power spectrum of Lyα emission at z ∼ 7 and estimate the uncertainties according to the relevant astrophysical processes. We find that the low-redshift emission lines from 6563 Å Hα, 5007 Å [O III], and 3727 Å [O II] will be strong contaminants on the observed Lyα power spectrum. We make use of both the star formation rate and luminosity functions to estimate the mean intensity and power spectra of the three foreground lines at z ∼ 0.5 for Hα, z ∼ 0.9 for [O III], and z ∼ 1.6 for [O II], as they will contaminate the Lyα emission at z ∼ 7. The [O II] line is found to be the strongest. We analyze the masking of the bright survey pixels with a foreground line above some line intensity threshold as a way to reduce the contamination in an intensity mapping survey. We find that the foreground contamination can be neglected if we remove pixels with fluxes above 1.4 × 10{sup –20} W m{sup –2}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Deep neural operators can predict the real-time response of floating offshore structures under irregular waves

The use of neural operators in a digital twin model of an offshore floating structure holds the potential for a significant shift in the prediction of structural responses and health monitoring, offering valuable real-time control insights. In this work, we investigate the effectiveness of three neural operators, namely the deep operator network (DeepONet), the Fourier neural operator (FNO), and the Wavelet neural operator (WNO), to accurately capture the responses of a floating structure under six different sea state codes (3 − 8) based on the wave characteristics described by the World Meteorological Organization (WMO). To further enhance the accuracy of the vanilla architecture of the neural operators, novel extensions, such as wavelet-DeepONet and self-adaptive WNO, are proposed in this paper. The results demonstrate that these high-precision neural operators can deliver structural responses more efficiently, up to two orders of magnitude faster than a dynamic analysis using conventional numerical solvers. Additionally, compared to gated recurrent units (GRUs), a commonly used recurrent neural network for time-series estimation, neural operators are both more accurate and efficient, especially in situations with limited data availability. Taken together, our study shows that FNO outperforms all other operators for approximating the mapping of one input functional space to the output space as well as for responses that have small bandwidth of the frequency spectrum. Conversely, DeepONet, with historical states, proves most accurate in learning the mapping of multiple input functions to the output space and capturing responses within a broad frequency spectrum.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

X-ray and Sunyaev-Zel'Dovich properties of the warm-hot intergalactic medium

We use numerical simulations to predict the soft X-ray ([0.4-0.6] keV) and Sunyaev-Zel'dovich (SZ) signal (at 150 GHz) from a large-scale structure in the universe and then compute two-point statistics to study the spatial distribution and time evolution of the signals. The average X-ray signal predicted for the warm-hot intergalactic medium (WHIM) is in good agreement with observational constraints that set it at about 10% of the total diffuse X-ray background. The characteristic angle computed with the autocorrelation function is of the order of some arcminutes and becomes smaller at higher redshift. The power spectrum peak of the SZ due to the WHIM is at l ∼ 10,000 and has an amplitude of ∼0.2 μK{sup 2}, about one order of magnitude below the signal measured with telescopes like Planck, Atacama Cosmology Telescope, and South Pole Telescope. Even if the high-redshift WHIM signal is too weak to be detected using X-rays only, the small-scale correlation between X-ray and SZ maps is dominated by the high-redshift WHIM. This makes the analysis of the SZ signal in support of X-rays a promising tool to study the early time WHIM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Implementation of a Spacer Grid Rod Thermal-Hydraulic Reconstruction (ROTHCON) Capability into the Thermal-Hydraulic Subchannel Code CTF

The Consortium for Advanced Simulation of Light Water Reactors is developing a core simulator capability known as the Virtual Environment for Reactor Applications (VERA) to address nuclear industry challenge problems such as crud-induced power shift (CIPS). The CTF thermal-hydraulic (T/H) subchannel code provides thermal feedback in the coupled neutronics, T/H, crud chemistry simulation that VERA performs. It has been discovered that the coarse meshing approach used by CTF (in which fuel rods are discretized into four azimuthal segments) can be a source of error in predicting crud growth and boron distribution in VERA CIPS calculations. Spacer grid effects lead to complex rod-to-fluid heat transfer behavior that, when not resolved, can lead to error in the prediction of crud growth and boron deposition. A higher-fidelity computational fluid dynamics approach can be used instead of CTF, but this leads to excessive simulation times. This paper presents an approach for using high-fidelity computational fluid dynamics data to create shape functions that are used in CTF to reconstruct rod surface heat transfer behavior as a function of spacer grid geometry. The approach is demonstrated for a 5 × 5 rod bundle facility with five mixing vane grids under a range of operating conditions encountered in nominal pressurized water reactor conditions. Furthermore, it is demonstrated that the grid heat transfer maps are successful at introducing a higher-fidelity heat transfer modeling capability into CTF.

CFD-informed↗
DOE OSTI2019

Characterizing Boreal Peatland Plant Composition and Species Diversity with Hyperspectral Remote Sensing

Peatlands, which account for approximately 15% of land surface across the arctic and boreal regions of the globe, are experiencing a range of ecological impacts as a result of climate change. Factors that include altered hydrology resulting from drought and permafrost thaw, rising temperatures, and elevated levels of atmospheric carbon dioxide have been shown to cause plant community compositional changes. Shifts in plant composition affect the productivity, species diversity, and carbon cycling of peatlands. We used hyperspectral remote sensing to characterize the response of boreal peatland plant composition and species diversity to warming, hydrologic change, and elevated CO2. Hyperspectral remote sensing techniques offer the ability to complete landscape-scale analyses of ecological responses to climate disturbance when paired with plot-level measurements that link ecosystem biophysical properties with spectral reflectance signatures. Working within two large ecosystem manipulation experiments, we examined climate controls on composition and diversity in two types of common boreal peatlands: a nutrient rich fen located at the Alaska Peatland Experiment (APEX) in central Alaska, and an ombrotrophic bog located in northern Minnesota at the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experiment. We found a strong effect of plant functional cover on spectral reflectance characteristics. We also found a positive relationship between species diversity and spectral variation at the APEX field site, which is consistent with other recently published findings. Based on the results of our field study, we performed a supervised land cover classification analysis on an aerial hyperspectral dataset to map peatland plant functional types (PFTs) across an area encompassing a range of different plant communities. Our results underscore recent advances in the application of remote sensing measurements to ecological research, particularly in far northern ecosystems.

McPartland, Mara (ORCID:0000000212420438)↗
NASA NTRS1992

First results from analysis of coordinated AVIRIS, TIMS, and ISM (French) data for the Ronda (Spain) and Beni Bousera (Morocco) peridotites

Ultramafic rocks are relatively rare at the Earth's surface but constitute the vast majority of the Earth by volume. Exposures of ultramafic bodies are therefore crucial for deducing many important processes that occur in the Earth's mantle. An important science question regarding the spatial distribution, abundance, and composition of mafic minerals in ultramafic bodies that can be examined with advanced sensor data is the melting process. When a lherzolite melts, clinopyroxene (cpx) melts first and therefore variations in the modal amount of cpx remaining in the mantle are a reflection of the amount of fractional melting that has occurred. Fe goes preferentially into the melt during melting but a 20 percent batch melting (i.e. closed system) acquires less Fe relative to 20 percent fractional melting (i.e. open system). Since the strength and wavelength of diagnostic absorptions is a strong function of Fe content, it is possible to make maps of the variation in Fe:Mg ratios which can be related to the general melting process. Accurate ground-truth information about local mineralogy provides internal calibration and consistency checks. Investigations using imaging spectrometer are very complementary to field studies because advanced sensor data can provide a synoptic view of modal mineralogy and chemical composition whereas field studies focus on detailed characterization of local areas. Two excellent exposures of ultramafic lithologies are being investigated with visible to mid-infrared imaging spectrometer data: the Ronda peridotite near Ronda, Spain and the Beni Bousera ophiolitic fragment in northern Morocco. Although separated by the Alboran Sea, these bodies are thought to be related and represent fertile sub-continental mantle. The Ronda peridotite is predominantly spinel lherzolite but grades into harzburgite and shows considerable variation in major and trace element compositions. Mafic layering and dykes (i.e. olivine gabbro) are also observed. This indicates some sections of the peridotite have experienced greater degrees of partial melting. The Beni Bousera peridotite also contains mafic layers and dykes and grades into harzburgite representing similar fundamental shifts in the bulk chemistry of this ultramafic body probably related to an episode of partial melting. The specific mode of emplacement of these bodies is controversial and important for understanding the tectonic evolution of this region. Our investigations are not necessarily designed to help resolve this controversy. Rather, these exposures provide excellent and unusual examples of fertile mantle which have undergone variable degrees of partial melting.

Mustard, J. F.↗
DOE OSTI2016

Revealing the z ∼ 2.5 cosmic web with 3D Lyα forest tomography: a deformation tensor approach

Studies of cosmological objects should take into account their positions within the cosmic web of large-scale structure. Unfortunately, the cosmic web has only been extensively mapped at low redshifts (z<1), using galaxy redshifts as tracers of the underlying density field. At z>1, the required galaxy densities are inaccessible for the foreseeable future, but 3D reconstructions of Lyα forest absorption in closely separated background QSOs and star-forming galaxies already offer a detailed window into z∼2–3 large-scale structure. We quantify the utility of such maps for studying the cosmic web by using realistic z = 2.5 Lyα forest simulations matched to observational properties of upcoming surveys. A deformation tensor-based analysis is used to classify voids, sheets, filaments, and nodes in the flux, which are compared to those determined from the underlying dark matter (DM) field. We find an extremely good correspondence, with 70% of the volume in the flux maps correctly classified relative to the DM web, and 99% classified to within one eigenvalue. This compares favorably to the performance of galaxy-based classifiers with even the highest galaxy densities from low-redshift surveys. We find that narrow survey geometries can degrade the recovery of the cosmic web unless the survey is ≳60 h{sup −1} Mpc or ≳1 deg on the sky. We also examine halo abundances as a function of the cosmic web, and find a clear dependence as a function of flux overdensity, but little explicit dependence on the cosmic web. These methods will provide a new window on cosmological environments of galaxies at this very special time in galaxy formation, “high noon,” and on overall properties of cosmological structures at this epoch.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Divergent responses of soil microorganisms to throughfall exclusion across tropical forest soils driven by soil fertility and climate history

Model projections predict tropical forests will experience longer periods of drought and more intense precipitation cycles under a changing climate. Such transitions have implications for structure-function relationships within microbial communities. We examine how throughfall exclusion might reshape prokaryotic and fungal communities across four lowland forests in Panama with a wide variation in mean annual precipitation and soil fertility. Four sites were established across a 1000 mm span in Mean Annual Precipitation (MAP: 2335–3421 mm). We expected microbial communities at sites with lower MAP to be less sensitive to throughfall exclusion than sites with higher MAP and fungal communities to be more resistant to disturbance than prokaryotes. At each location, partial throughfall exclusion structures were established over 10 × 10 m plots to reduce direct precipitation input. After short-term (~3–9 months) throughfall exclusion, prokaryotic communities showed no change in composition. However, prolonged (12–18 months) throughfall exclusion resulted in divergent prokaryotic community responses, reflecting MAP and soil fertility. We observed the emergence of a “drought microbiome” within infertile sites, whereby the community structure of the experimental throughfall exclusion plots at the lower MAP sites diverged from their respective control sites and converged towards overlapping assemblages. Furthermore, under throughfall exclusion, taxa increasing in relative abundance at the wettest site reflected that endemic to control plots at the lowest MAP site, suggesting a shift toward communities with lifehistory traits selected for under a lower MAP. By contrast, fungal community composition across sites was resilient to throughfall exclusion; however, biomass diverged in response to throughfall exclusion, increasing at two sites while decreasing in the other two. Broadly, our results suggest that microbial communities’ sensitivity to frequent drying and rewetting periods in tropical forest soils will depend on climate history and soil fertility, with infertile sites likely to respond readily to changes in precipitation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

First-principles calculation of lattice distortion, electronic structure, and bonding properties of GeTe-based and PbSe-based high-entropy chalcogenides

The massive amount of wasted heat energy from industry has pushed the development of thermoelectric (TE) materials that directly convert heat into electricity to a new level of concern. Recently, multicomponent alloys such as GeTe-based and PbSe-based high-entropy (HE) chalcogenides have attracted a great deal of attention due to their potential application as TE materials. The nature of the interatomic bonding, lattice distortion (LD), and the electronic structure in this class of materials is not fully understood. Herein, we report a comprehensive computational investigation of nine GeTe-based HE alloys with eight metallic elements (Ag, Pb, Sb, Bi, Cu, Cd, Mn, and Sn) with large supercells of 1080 atoms each; seven PbSe-based HE solid solutions: Pb0.99−ySb0.012SnySe1−2xTexSx (x = 0.1, 0.2, 0.25, 0.3, 0.35, 0.4, 0.45, with y = 0) with supercells of 1000 atoms each; and five Pb0.99−ySb0.012SnySe1−2xTexSx (y = 0.05, 0.1, 0.15, 0.2, 0.25 with x = 0.25) solid solutions with supercells of 1000 atoms each. All these HE models are theoretically investigated for the first time. The electronic structure, interatomic bonding, charge transfer, and lattice distortion (LD) are investigated by first-principles calculations based on density functional theory. Multicomponent HE alloys can cause a significant LD, which affects their mechanical, thermal, and TE properties. The calculations for the GeTe-based HE chalcogenides showed that they are semiconductors with a narrow bandgap, except for m8, which has a semi-metallic characteristic, and this makes them good candidates for TE applications. For most of these models, the Fermi level shifts upward and locates deeply in the conduction bands, resulting in the enhancement of the electrical conductivity (σ). The bonding properties showed that most bonds in m5 are more dispersed, indicating highest LD and lower lattice thermal conductivity. For PbSe-based HE solid solutions, the LD calculations showed that the models Pb0.99Sb0.012Se0.5Te0.25S0.25 and Pb0.89Sb0.012Sn0.1Se0.5Te0.25S0.25 have the higher LD, and thus a lower lattice thermal conductivity. Such investigations are in high demand since it enables us to design new HE chalcogenides for TE applications. We use the novel concept of total bond order density as a single quantum mechanical metric to characterize the internal cohesion of these HE alloys and correlate with calculated properties, especially the mechanical properties. This work provides a solid database for HE chalcogenides and a road map for many potential applications. Moreover, the computational procedure we developed can be used to design new HE chalcogenides for specific TE applications.

Physics↗
DOE OSTI2026

Utilization of Unmanned Aircraft Systems for Environmental Purposes at the Savannah River Site – 26578

Born in the 1950s, the Savannah River Plant was constructed as a plutonium and tritium production plant. As the Cold War era came and went, a change of direction was signaled when the name of the facility changed from Savannah River Plant to Savannah River Site (1989) – the main mission at Savannah River shifted from “production” to “cleanup.” The Department of Energy is responsible for managing the 310 square miles of land that is the Savannah River Site and the cleanup/remediation activities that occur. The Savannah River National Laboratory utilizes unmanned aircraft systems to assist with some of those environmental monitoring and remediation activities. One function of unmanned aircraft systems at the Savannah River National Laboratory is conducting aerial photography and videography. Various infrastructure evaluations have been performed with unmanned aircraft – facility rooftop inspections, water tower lock verifications, earthen dam surveys, etc. An unmanned aircraft system has been used for progress footage of remediation projects – Dunbarton Bay remediation, Saltstone Disposal Unit construction, etc. Thermal cameras on an unmanned aircraft system are used to help identify cracks/leaks in structures from vantage points not readily accessible by personnel. Virtual tours of different waste units are conducted with unmanned aircraft systems for Site groups and federal/state regulators to save costs and travel time. Additionally, advanced remote sensing technologies are used on unmanned aircraft systems at the Savannah River Site. Light Detection and Ranging uses laser pulses to measure distances to the Earth's surface or other targets to create highly detailed topographic maps that accurately portray terrain (e.g., elevation changes, slopes, and contours). Data collection with a Light Detection and Ranging unit mounted on an unmanned aircraft system is quick and efficient – large-area surveys are conducted in shorter time frames. Because Light Detection and Ranging can penetrate through foliage and vegetation to ground level, it is being used in conjunction with a watershed model to study the General Separations Area of the Site to determine stormwater flow volume and direction, monitor stream stability, and forecast river flow behavior. A hyperspectral camera captures a wide spectrum of electromagnetic wavelengths across numerous narrow bands, beyond what the human eye can see. It provides detailed spectral information about the objects or surfaces in an image, which can be used to identify and analyze materials based on their spectral signatures. A hyperspectral camera mounted on an unmanned aircraft system has been used at the Savannah River Site for non-destructive evaluation of concrete and concrete structures. Unmanned aircraft systems at the Savannah River Site are also used for the application of herbicide on identified rooftops. P-Reactor and R-Reactor are entombed nuclear reactors at the Savannah River Site. Unwanted vegetation is often present on these rooftops – over time roots can penetrate seams, cracks, and joints of the general roof and concrete caps, leading to water ingress and deterioration of the structural components. For time and cost efficiencies as well as in the interest of personnel safety, an unmanned aircraft is used to dispense herbicide on rooftop areas where vegetation is noticed to help alleviate the issues/hazards.

Lorier, Troy [Savannah River National Laboratory (↗
NASA NTRS1994

Ozone and stratospheric height waves for opposite phases of the QBO

The stratospheric quasi-biennial oscillation (QBO) provides an important source of interannual variations in the Northern Hemisphere. O'sullivan and Salby (1990) related extra-tropical eddy transport with the phase of the tropical QBO. When the tropical wind is easterly, the zero wind line is shifted into the winter hemisphere. Enhanced wave activity in middle latitudes acts to weaken the polar vortex. When the tropical wind is in the westerly phase the situation reverses. Heights at 30 mb and ozone configurations are contrasted in this paper for these two QBO phases. When the winter vortex deforms due to the amplification of planetary waves 1 and 2, extends westward and equatorward, the complementary band of low vorticity air spirals in toward the pole from lower latitudes. Sometimes, these planetary waves break (Juckes and McIntyre, 1987) and an irreversible mixing of air takes place between high and mid-latitudes. Global ozone patterns, as obtained form satellite observations, appear to be affected by planetary wave breaking (Leovy et al. 1985). This mixing results on regions with uniform ozone and potential vorticity. In the Southern Hemisphere (SH), Newman and Randel (1988) using Total Ozone Mapping Spectrometer (TOMS) data and the NMC analyses have found strong spatial correlation between the October mean temperature in the lower stratosphere and total ozone for the 1979 through 1986 years. Recently Nogues-Paegle et al.(1992) analyzed SH ozone and height data from 1986 to 1989. They found that leading empirical orthogonal functions (EOFs) for both ozone and 50 mb heights exhibit zonal wave 1 and 2 and that the correlations between ozone and 50 mb principal components (PCs) are high. The results were found to be consistent with a linear planetary wave advecting a passive tracer. In this paper, the dominant patterns of variability for 30 mb NMC heights and TOMS total ozone are obtained for the winter to summer transition (January to May) in the Northern Hemisphere (NH) for the years 1987-1990.

Mo, Kingtse C.↗
DOE OSTI2015

Mapping the conformational landscape of a dynamic enzyme by multitemperature and XFEL crystallography

Determining the interconverting conformations of dynamic proteins in atomic detail is a major challenge for structural biology. Conformational heterogeneity in the active site of the dynamic enzyme cyclophilin A (CypA) has been previously linked to its catalytic function, but the extent to which the different conformations of these residues are correlated is unclear. Here we compare the conformational ensembles of CypA by multitemperature synchrotron crystallography and fixed-target X-ray free-electron laser (XFEL) crystallography. The diffraction-before-destruction nature of XFEL experiments provides a radiation-damage-free view of the functionally important alternative conformations of CypA, confirming earlier synchrotron-based results. We monitored the temperature dependences of these alternative conformations with eight synchrotron datasets spanning 100-310 K. Multiconformer models show that many alternative conformations in CypA are populated only at 240 K and above, yet others remain populated or become populated at 180 K and below. These results point to a complex evolution of conformational heterogeneity between 180-–240 K that involves both thermal deactivation and solvent-driven arrest of protein motions in the crystal. The lack of a single shared conformational response to temperature within the dynamic active-site network provides evidence for a conformation shuffling model, in which exchange between rotamer states of a large aromatic ring in the middle of the network shifts the conformational ensemble for the other residues in the network. Together, our multitemperature analyses and XFEL data motivate a new generation of temperature- and time-resolved experiments to structurally characterize the dynamic underpinnings of protein function.

Keedy, Daniel A. (ORCID:0000000291847586)↗
DOE OSTI2013

Advanced Topographic Characterization of Variously Prepared Niobium Surfaces and Linkage to RF Losses

Superconducting radio frequency (SRF) technology is widely adopted in particle accelerators. The shallow penetration (~ 40 nm) of the RF into superconducting niobium lends great importance to SRF cavity interior surface chemistry and topography. These in turn are strongly influenced by the chemical etching "surface clean-up" that follows fabrication. The principal surface smoothing methods are buffered chemical polish (BCP) and electropolish (EP). The resulting topography is characterized by atomic force microscopy (AFM). The power spectral density (PSD) of AFM data provides a more thorough description of the topography than a single-value roughness measurement. In this work, one dimensional average PSD functions derived from topography of BCP and EP with different controlled starting conditions and durations have been fitted with a combination of power law, K-correlation, and shifted Gaussian models to extract characteristic parameters at different spatial harmonic scales. While the simplest characterizations of these data are not new, the systematic tracking of scale-specific roughness as a function of processing is new and offers feedback for tighter process prescriptions more knowledgably targeted at beneficial niobium topography for SRF applications. Process development suffers because the cavity interior surface cannot be viewed directly without cutting out pieces, rendering the cavities unavailable for further study. Here we explore replica techniques as an alternative, providing imprints of cavity internal surface that can be readily examined. A second matter is the topography measurement technique used. Atomic force microscopy (AFM) has proven successful, but too time intensive for routine use. We therefore introduce white light interferometry (WLI) approach as an alternative. We examined real surfaces and their replicas, using AFM and WLI. We find that the replica/WLI is promising to provide the large majority of desired information, so that use of the time-intensive AFM approach can be limited to where it is genuinely necessary. The prevalent idea is that sharp features could lead to magnetic quench or enhance the thermal quench. In this report, a calculation on magnetic field is numerically given on fine structure by finite element and conformal mapping methods. Corresponding RF Ohmic loss will be simulated. A certain thermal tolerant will be calculated. A Q~E curve will be predicted from this model. A perturbation model is utilized to calculate rough surface additional RF loss based on PSD statistical analysis. This model will not consider that superconductor will become normal at field higher than transition field. Therefore, it is only expected to explain mid-field Q performance. One can calculate the RF power dissipation ratio between rough surface and ideal smooth surface within this field range. Additionally, the resistivity of Nb is temperature and magnetic field dependent from classic thermal feedback model theory. Combining with topographic PSD analysis and Rs temperature and field dependency, a middle field Q slope model could be modeled and the contribution from topography can be simulated.

Xu, Chen↗
DOE OSTI2024

A Real-Time Testbed for Smart Inverter Cyber Security Studies

Distributed energy resources (DER) have become a popular solution to modern-day issues surrounding the efficiency and reliability of power generation, as well as climate change concerns. Energy centers are shifting towards incorporating smart inverters with embedded functionalities such as high voltage ride through (HVRT), low voltage ride through (LVRT), active and reactive power compensation. However, the integration of smart inverters leave DER systems highly vulnerable to cybersecurity threats. The distributed network protocol 3 (DNP3) is a common method of communication between grid-tied hardware. Despite its popularity, the level of security leaves all hardware connected to the grid at risk of severe cyber-attacks. Thus, it is important to study any potential cybersecurity threats towards grid-tied smart inverters to mitigate cybersecurity vulnerabilities and refine existing cyber-security protections. This report describes the proposed testbed design to study cybersecurity threats to smart inverters. The testbed utilizes a real-time simulation case in RSCAD that includes a grid-tied wind turbine (WT) topology featuring two back-to-back two-level voltage source converters (BTB,2L-VSCs) and a permanent magnet synchronous machine (PMSM). The simulated case runs within the NovaCor real time digital simulator (RTDS). This report focuses on the design and implementation of a single module of the GTNETx2 card as a distributed network protocol and the configuration of an IEEE 1518 DNP database file that includes input and output variables mapped to different connection points in the grid that transmit and receive discrete, analog, and binary signals on command. This allows realistic emulation of the communication between the smart inverter and the grid for cybersecurity studies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Cluster abundance in f(R) gravity models

As one of the most powerful probes of cosmological structure formation, the abundance of massive galaxy clusters is a sensitive probe of modifications to gravity on cosmological scales. In this paper, we present results from N-body simulations of a general class of f(R) models, which self-consistently solve the nonlinear field equation for the enhanced forces. Within this class we vary the amplitude of the field, which controls the range of the enhanced gravitational forces, both at the present epoch and as a function of redshift. Most models in the literature can be mapped onto the parameter space of this class. Focusing on the abundance of massive dark matter halos, we compare the simulation results to a simple spherical collapse model. Current constraints lie in the large-field regime, where the chameleon mechanism is not important. In this regime, the spherical collapse model works equally well for a wide range of models and can serve as a model-independent tool for placing constraints on f(R) gravity from cluster abundance. Using these results, we show how constraints from the observed local abundance of X-ray clusters on a specific f(R) model can be mapped onto other members of this general class of models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗