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DOE OSTI2024

HighNESS conceptual design report: Volume I

The European Spallation Source, currently under construction in Lund, Sweden, is a multidisciplinary international laboratory. Once completed to full specifications, it will operate the world’s most powerful pulsed neutron source. Supported by a 3 million Euro Research and Innovation Action within the EU Horizon 2020 program, a design study (HighNESS) has been completed to develop a second neutron source located below the spallation target. Compared to the first source, designed for high cold and thermal brightness, the new source has been optimized to deliver higher intensity, and a shift to longer wavelengths in the spectral regions of cold (CN, 2–20 Å), very cold (VCN, 10–120 Å), and ultracold (UCN, >500 Å) neutrons. The second source comprises a large liquid deuterium moderator designed to produce CN and support secondary VCN and UCN sources. Various options have been explored in the proposed designs, aiming for world-leading performance in neutronics. These designs will enable the development of several new instrument concepts and facilitate the implementation of a high-sensitivity neutron-antineutron oscillation experiment (NNBAR). This document serves as the Conceptual Design Report for the HighNESS project, representing its final deliverable.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Path Forward: Materials Data Modernization for ASME Codes and Standards in the Artificial Intelligence Era

Development of the ASME Materials Properties Database was initiated in the early 2010s to support the ASME Codes and Standards. As information technologies advance at an accelerated pace with the artificial intelligence era on the horizon, the ASME Materials Properties Database must be further modernized from a database to a knowledgebase to ride the wave of digital information revolution and effectively support the ASME Codes and Standards in the new era.This paper is intended to provide an overview of the ASME Materials Properties Database and discuss a roadmap for its future development to facilitate understanding of and participation from different sectors of the Codes and Standards community. It first reviews the basic concepts of data, information, knowledge, database, and database system; as well as the pros and cons in different types of data management, and then discusses the path forward for a desired evolution of the database into a self-explanatory and machine-readable knowledgebase that is consistent with human cognitive processes for the Codes and Standards development and furthermore provides resources for data processing and analysis to reach an eventual goal of streamlining the Codes and Standards development from the initial inquiry, throughout data submission, analysis, …, to Codes and Standards rule establishment for final publication.

Ren, Weiju↗
DOE OSTI2022

Horizons: nuclear astrophysics in the 2020s and beyond

Nuclear astrophysics is a field at the intersection of nuclear physics and astrophysics, which seeks to understand the nuclear engines of astronomical objects and the origin of the chemical elements. This white paper summarizes progress and status of the field, the new open questions that have emerged, and the tremendous scientific opportunities that have opened up with major advances in capabilities across an ever growing number of disciplines and subfields that need to be integrated. We take a holistic view of the field discussing the unique challenges and opportunities in nuclear astrophysics in regards to science, diversity, education, and the interdisciplinarity and breadth of the field. Clearly nuclear astrophysics is a dynamic field with a bright future that is entering a new era of discovery opportunities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Non-equilibrium reducing flame aerosol process to create supported high-entropy alloy nanoparticles

High-entropy alloy (HEA) nanomaterials provide opportunities and property combinations for energy and electronic applications, but their practical synthesis faces challenges of elemental immiscibility, metal reducibility, and particle aggregation during their synthesis. Herein, we report a broadly applicable non-equilibrium, scalable, and in-situ reducing flame aerosol process for synthesis of supported HEA nanoparticles. This versatile process can directly load a high concentration of 2 ~ 4 nm HEA nanoparticles on various 1- to 3-dimensional supports. Notably, simultaneous formation of HEA nanoparticles and a mesoporous silica support was successfully realized in a single step. Exploration of this process demonstrates the role of kinetics and entropy on decreasing alloy particle size and altering the reducibility of elements. We propose an entropy-induced reduction mechanism to incorporate oxidizable elements into HEAs, which extends the compositional space of HEA nanoparticles. As a representative catalytic application, we present a RuPdOsIrPt/graphene electrocatalyst with high activity and stability for hydrogen oxidation reaction. Our findings open horizons for high-performance HEA design and applications in diverse fields such as catalysis, electrochemistry, and sensing.

organic↗
DOE OSTI2021

Depth dependence of climatic controls on soil microbial community activity and composition

Abstract Subsoil microbiomes play important roles in soil carbon and nutrient cycling, yet our understanding of the controls on subsoil microbial communities is limited. Here, we investigated the direct (mean annual temperature and precipitation) and indirect (soil chemistry) effects of climate on microbiome composition and extracellular enzyme activity throughout the soil profile across two elevation-bioclimatic gradients in central California, USA. We found that microbiome composition changes and activity decreases with depth. Across these sites, the direct influence of climate on microbiome composition and activity was relatively lower at depth. Furthermore, we found that certain microbial taxa change in relative abundance over large temperature and precipitation gradients only in specific soil horizons, highlighting the depth dependence of the climatic controls on microbiome composition. Our finding that the direct impacts of climate are muted at depth suggests that deep soil microbiomes may lag in their acclimation to new temperatures with a changing climate.

16S rRNA↗
DOE OSTI2021

The Average Shape of Sea Ice Ridge Keels

Through analysis of over 64,000 ridge profiles identified from moored upward-looking sonars, we identify a well-defined average shape of pressure ridge keels that is concave or cusped, not triangular as widely assumed in other literature. On the basis of this average shape, we put forward a new, dimensional-definition, of a pressure ridge cross-section that follows a negative exponential form and allows an average pressure ridge cross section to be constructed with knowledge or choice of a single parameter. The horizonal asymptote of the profile represents the draft of the “background” ice in which the ridge is embedded. The draft of this background ice scales with keel depth and is typically greater than can be accounted through thermodynamic growth, indicating that ridges tend to be embedded in fields of mechanically thickened rubble. Using a variational ridge model we simulated keel shapes for a range of ridge building conditions. Here, the model results agree well with the observations and indicate the cusped shape of an average ridge profile arises from the varying angle of horizontal shear in the ice cover when ridges form. The modeling results also explain the elongated tail of the area draft distribution of the pack.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Minidisk Accretion onto Spinning Black Hole Binaries: Quasi-periodicities and Outflows

We perform a full 3D general relativistic magnetohydrodynamical (GRMHD) simulation of an equal-mass, spinning, binary black hole approaching merger, surrounded by a circumbinary disk and with a minidisk around each black hole. For this purpose, we evolve the ideal GRMHD equations on top of an approximated spacetime for the binary that is valid in every position of space, including the black hole horizons, during the inspiral regime. We use relaxed initial data for the circumbinary disk from a previous long-term simulation, where the accretion is dominated by a m = 1 overdensity called the lump. We compare our new spinning simulation with a previous non-spinning run, studying how spin influences the minidisk properties. We analyze the accretion from the inner edge of the lump to the black hole, focusing on the angular momentum budget of the fluid around the minidisks. We find that minidisks in the spinning case have more mass over a cycle than the non-spinning case. However, in both cases we find that most of the mass received by the black holes is delivered by the direct plunging of material from the lump. We also analyze the morphology and variability of the electromagnetic fluxes, and we find they share the same periodicities of the accretion rate. In the spinning case, we find that the outflows are stronger than the non-spinning case. Our results will be useful to understand and produce realistic synthetic light curves and spectra, which can be used in future observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The High Luminosity LHC interaction region magnets towards series production

The High Luminosity Large Hadron Collider (HL-LHC) is the new flagship project of CERN. First endorsed in 2013 and approved in 2016, HL-LHC is an upgrade of the accelerator aiming to increase by a factor of ten the statistics of the LHC collisions at the horizon of 2035-2040. HL-LHC relies on cutting edge technologies: among them, large aperture superconducting magnets will replace the present hardware to allow a smaller beam size in two interaction points (IPs). The project involves the construction of about 150 magnets of six different types: the quadrupole triplet, two main dipoles and three orbit correctors. The triplet, manufactured at CERN and in the USA, will consist of 30 magnets based on Nb3Sn technology, with an operational peak field of 11.4 T. These will be the first quadrupole Nb3Sn magnets installed in a particle accelerator. The other five types of magnets, all relying on Nb-Ti technology, present non-trivial challenges in the design and construction; they will be manufactured as part of in-kind contribution under the responsibility of institutes in Japan, China, Spain, and Italy. The project is now in the phase of transition between qualification through short models and prototypes and the beginning of the series construction. In this paper we review the magnet requirements, the reasons for selecting the design, the technological challenges with respect to previous projects, and we summarize the steps that have been taken to validate the baseline.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Potential Adoption and Benefits of Co-Optimized Multimode Engines and Fuels for U.S. Light-Duty Vehicles

Exploring a diverse portfolio of technologies for decarbonization is crucial to understanding the potential impacts of different technological solutions and their associated environmental implications. Using high-octane, high-sensitivity biofuel blends in co-optimized multimode engines can increase engine efficiency and reduce vehicle emissions. Here, the multimode engine research focuses on the benefits of light-duty vehicle engines, which can operate in multiple modes depending on the vehicle's load. Low-temperature combustion can improve efficiency and reduce emissions (such as those from oxides of nitrogen and particulate matter) during low-load operation, while spark ignition performance is maintained in high-load operation. These advanced engines can be optimized to run on blends of biobased fuels. This analysis models scenarios for potential market adoption of co-optimized multimode vehicles fueled by three different bioblendstocks: ethanol, isopropanol, and isobutanol. An integrated modeling approach is used to forecast the energy and environmental impacts of the deployment of co-optimized multimode vehicles and fuels in the light-duty sector over the 2020-to-2050 time horizon. The multidisciplinary approach combines vehicle sales modeling, system dynamics modeling of the biorefining industry, and life cycle assessment to estimate the emissions and energy benefits. The models consider market forces such as consumer preferences for vehicle attributes, biofuel supply and demand dynamics subject to biorefinery capacity build-out and bioresource constraints, and forecasted changes to the U.S. bulk energy system over time. Market adoption of co-optimized vehicles is evaluated across a wide parameter space for incremental vehicle cost and engine efficiency improvement. This analysis reveals that the deployment of co-optimized multimode fuels and vehicles results in up to a 5% reduction in annual sector-wide life cycle greenhouse gas (GHG) emissions by 2050, relative to a business-as-usual scenario, but is also indicates environmental trade-offs, such as higher life cycle water-use. Emission benefits could potentially increase beyond 2050, as the new technologies penetrate the market and gain a foothold. Results also show that, under certain circumstances, vehicles with engines co-optimized for use with high-octane, high-sensitivity biofuel blends can be cost-competitive with conventional gasoline, while reducing GHG emissions. Our modeling results indicate that co-optimized multimode fuels and engines can be strategically leveraged in tandem with electrification to decarbonize the light-duty sector. Co-optimized vehicles could play a role in the early years of the time horizon, while electric vehicles (EVs) could become more competitive in the later years, highlighting the complementary benefits of these technologies for GHG reductions.

Oke, Doris↗
DOE OSTI2023

A tail of eternal inflation

Non-trivial inflaton self-interactions can yield calculable signatures of primordial non-Gaussianity that are measurable in cosmic surveys. We calculate the non-Gaussian corrections to Stochastic Inflation within the framework of Soft de Sitter Effective Theory, from which we derive the associated probability distribution for the scalar fluctuations. As a consequence of this new result, we show that the phase transition to slow-roll eternal inflation is often incalculable in these models. Instead, this transition is sensitive to the non-Gaussian tail of the distribution of scalar fluctuations, which probes physics inside the horizon, potentially beyond the cutoff scale of the Effective Field Theory of Inflation. We delineate the parameter space consistent with current observations and weak coupling at horizon crossing in which the large fluctuations relevant for eternal inflation can only be determined by appealing to a UV completion. We also argue that this breakdown of the perturbative description is required for the de Sitter entropy to reflect the number of de Sitter microstates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A New Method for Aerosol Measurement Using Wide-field Photometry

We present a new method to measure the vertical aerosol optical depth (VAOD) during clear nights using a wide-field imager—a CCD camera with a photographic lens on an equatorial mount. A series of 30 s exposures taken at different altitudes above the horizon can be used to measure the VAOD with a precision better than 0.008 optical depths within a few minutes. Such a measurement does not produce any light and is thus suitable for use at sites where other astronomical instruments are located. The precision of the VAOD measurement depends on the laboratory calibration of spectral properties of the system and of the response of the camera electronics to varying illumination levels, as well as careful considerations of the details of stellar photometry and modeling of the dependence of the measured stellar flux, the star color, and the position within the field of view. The results obtained with robotic setups at the future sites of the Cerenkov Telescope Array show good internal consistency and agreement with simultaneous measurements from a Sun/Moon photometer located at the same sites.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Baryon fraction from the BAO amplitude: a consistent approach to parameterizing perturbation growth

Galaxy clustering constrains the baryon fraction Omega_b/Omega_m through the amplitude of baryon acoustic oscillations and the suppression of perturbations entering the horizon before recombination. This produces a different pre-recombination distribution of baryons and dark matter. After recombination, the gravitational potential responds to both components in proportion to their mass, allowing robust measurement of the baryon fraction. This is independent of new-physics scenarios altering the recombination background (e.g. Early Dark Energy). The accuracy of such measurements does, however, depend on how baryons and CDM are modeled in the power spectrum. Previous template-based splitting relied on approximate transfer functions that neglected part of information. We present a new method that embeds an extra parameter controlling the balance between baryons and dark matter in the growth terms of the perturbation equations in the CAMB Boltzmann solver. This approach captures the baryonic suppression of CDM prior to recombination, avoids inconsistencies, and yields a clean parametrization of the baryon fraction in the linear power spectrum, separating out the simple physics of growth due to the combined matter potential. We implement this framework in an analysis pipeline using Effective Field Theory of Large-Scale Structure with HOD-informed priors and validate it against noiseless LCDM and EDE cosmologies with DESI-like errors. The new scheme achieves comparable precision to previous splitting while reducing systematic biases, providing a more robust way to baryon-fraction measurements. In combination with BBN constraints on the baryon density and Alcock-Paczynski estimates of the matter density, these results strengthen the use of baryon fraction measurements to derive a Hubble constant from energy densities, with future DESI and Euclid data expected to deliver competitive constraints.

Crespi, Andrea [U. Waterloo (main); Waterloo U., I↗
DOE OSTI2026

Broadband multiwavelength properties of the archetypal blazar 3C 279 during the 2017 Event Horizon Telescope campaign

The archetypal blazar 3C 279 hosts a prominent relativistic jet and exhibits strong broadband variability across the electromagnetic spectrum. In April 2017, the Event Horizon Telescope (EHT) observed 3C 279, alongside one of the most extensive quasi-simultaneous multiwavelength (MWL) campaigns ever conducted. With the aim of investigating the physical processes governing 3C 279, we analyzed individual observations and multiband light curves, and constructed a new quasi-simultaneous MWL spectrum. We also performed phenomenological modeling using the turbulent extreme multi-zone (TEMZ) model to constrain the fundamental physical properties of the source. The EHT observations reveal a clear flux increase in the innermost core between April 5 and 11, 2017. Over a broader timescale, radio measurements at longer wavelengths show concurrent enhancements in core flux and polarization around mid-April, coinciding with the ejection of a superluminal knot. Record UV-optical flares with strong polarization variability occurred in late March, followed by gamma-ray activity that declined before the end of the EHT observing period. During this interval, the source remained in a low X-ray state and showed no detectable VHE emission. The TEMZ modeling suggests that the broadband spectrum and variability of 3C 279 can be explained within a jet scenario in which turbulent plasma cells are compressed by a stationary conical shock. However, alternative interpretations, such as magnetic reconnection or a moving shock-in-jet event, remain plausible. This coordinated MWL campaign advances our understanding of the origin of jet and gamma-ray emission in 3C 279, while also providing a comprehensive publicly available dataset that will serve as a valuable reference for future studies.

Principe, G. [Trieste U.; INFN, Trieste; Bologna, ↗
DOE OSTI2023

Standardized Data to Improve Understanding and Modeling of Soil Nitrogen at Continental Scale

Abstract Nitrogen (N) is a key limiting nutrient in terrestrial ecosystems, but there remain critical gaps in our ability to predict and model controls on soil N cycling. This may be in part due to lack of standardized sampling across broad spatial–temporal scales. Here, we introduce a continentally distributed, publicly available data set collected by the National Ecological Observatory Network (NEON) that can help fill these gaps. First, we detail the sampling design and methods used to collect and analyze soil inorganic N pool and net flux rate data from 47 terrestrial sites. We address methodological challenges in generating a standardized data set, even for a network using uniform protocols. Then, we evaluate sources of variation within the sampling design and compare measured net N mineralization to simulated fluxes from the Community Earth System Model 2 (CESM2). We observed wide spatiotemporal variation in inorganic N pool sizes and net transformation rates. Site explained the most variation in NEON’s stratified sampling design, followed by plots within sites. Organic horizons had larger pools and net N transformation rates than mineral horizons on a sample weight basis. The majority of sites showed some degree of seasonality in N dynamics, but overall these temporal patterns were not matched by CESM2, leading to poor correspondence between observed and modeled data. Looking forward, these data can reveal new insights into controls on soil N cycling, especially in the context of other environmental data sets provided by NEON, and should be leveraged to improve predictive modeling of the soil N cycle.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

HAIMOS Ensemble Forecasts for Intra-day and Day- Ahead GHI, DNI and Ramps

The objective of this research is to develop a hybrid physics-based/data-driven forecast model to improve direct normal and global horizontal irradiance (DNI and GHI) prediction for horizons ranging from 1 to 72 hours. Project objectives also address key gaps in state-of-the-art solar forecasting: accurate probabilistic solar forecasts and the forecasting of large irradiance ramps (ramp onset and magnitude). The proposed model ensembles Numerical Weather Prediction (NWP) forecasts, determinist physics-based algorithms, and new-generation cloud cover products (high-resolution rapid refresh satellite images and Large Eddy Simulations). The result is the Hybrid Adaptive Input Model Objective Selection (HAIMOS) ensemble model. HAIMOS blends state of the art machine learning methodologies with physics-based models for cloud cover and cloud optical depth forecasts. The technical activities followed a two-pronged strategy. First, the preprocessing of data, the selection of inputs to the nonlinear approximators, the type of approximator and objective functions, and post-processing ensembling techniques included in HAIMOS were all optimized adaptively to find the best model for a specific goal (reduce DNI/GHI forecast error, improve the prediction of ramp onset, etc.). Second, a large effort was put in improving cloud identification and the forecast of cloud cover and cloud optical depth. To this end, new-generation cloud parametrization products were developed in this work. These include improved algorithms to assist in cloud identification, cloud classification and cloud parametrization from satellite images – three key factors in the accuracy of 1 to 6-hours irradiance forecasts and prediction of ramp onset. Furthermore, we also included cloud information extracted from high resolution rapid refresh satellite images (GOES-16) and Large Eddy Simulations (LES). LES was used to model the atmosphere in detail over locations of interest and produce cloud optical depth forecasts. Once these data streams were validated, they were used as input data to the HAIMOS forecast. The model was developed using data from several climatologically distinct locations with potential for high solar penetration. In the last year of the project, we conducted a validation campaign according to the guidelines stipulated by the Topic Area 1 project as described in the FOA. This effort brings, for the first time, proven machine-learning methodologies for generating state-of-the-art solar forecasts interweaved with detailed physics-based models for cloud detection, and cloud optical depth forecasts. HAIMOS will generate accurate irradiance probabilistic forecast to assist in reducing solar generation prediction error. Globally optimized solar forecast models are more likely to impact solar energy stakeholders. The goal of this project was to increase the state-of-the-art forecast skill from their present values of 10 to 35%. At the end of the project, we achieved between 30% and 50% forecast skill across a wide range of horizons for both GHI and DNI.

14 SOLAR ENERGY↗
DOE OSTI2026

Scientific Discovery with Physics-Informed System Identification (Abbreviated Report)

My fellowship research focused on making physics-based simulations faster and more useful through machine learning. Many problems in science and engineering are governed by partial differential equations, but high-fidelity simulations are often too expensive to run repeatedly. I worked on improving Latent Space Dynamics Identification (LaSDI), a reduced-order modeling framework that compresses large simulation data sets into a smaller representation and then learns how that representation evolves over time. The motivation was to develop reduced models that remain accurate for more challenging systems, especially when predictions must remain reliable over long time intervals or when the underlying dynamics are more complicated than standard methods can easily handle. I also contributed to related work on Quandary, a high-performance software effort for simulation and control of open quantum systems, before focusing primarily on Latent Space Dynamics Identification methods. The main outcomes of the fellowship were two new algorithms (both of which were published), Rollout-LaSDI and Higher-Order LaSDI, together with supporting work on multi-stage Latent Space Dynamics Identification. Rollout-LaSDI improved long-term prediction by training the model to stay accurate over extended time horizons, and Higher-Order LaSDI broadened the method so it could model systems with higher-order time dynamics. My contributions to multistage Latent Space Dynamics Identification also helped show that its later training stages could be simplified without losing effectiveness, and that this behavior held across different model architectures and training strategies. Taken together, these advances improved the accuracy, flexibility, and practical value of reduced-order modeling tools for computational science.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

SYMBA: An end-to-end VLBI synthetic data generation pipeline

Realistic synthetic observations of theoretical source models are essential for our understanding of real observational data. In using synthetic data, one can verify the extent to which source parameters can be recovered and evaluate how various data corruption effects can be calibrated. These studies are the most important when proposing observations of new sources, in the characterization of the capabilities of new or upgraded instruments, and when verifying model-based theoretical predictions in a direct comparison with observational data. We present the SYnthetic Measurement creator for long Baseline Arrays (SYMBA), a novel synthetic data generation pipeline for Very Long Baseline Interferometry (VLBI) observations. SYMBA takes into account several realistic atmospheric, instrumental, and calibration effects. Here, we used SYMBA to create synthetic observations for the Event Horizon Telescope (EHT), a millimetre VLBI array, which has recently captured the first image of a black hole shadow. After testing SYMBA with simple source and corruption models, we study the importance of including all corruption and calibration effects, compared to the addition of thermal noise only. Using synthetic data based on two example general relativistic magnetohydrodynamics (GRMHD) model images of M 87, we performed case studies to assess the image quality that can be obtained with the current and future EHT array for different weather conditions. Our synthetic observations show that the effects of atmospheric and instrumental corruptions on the measured visibilities are significant. Despite these effects, we demonstrate how the overall structure of our GRMHD source models can be recovered robustly with the EHT2017 array after performing calibration steps, which include fringe fitting, a priori amplitude and network calibration, and self-calibration. With the planned addition of new stations to the EHT array in the coming years, images could be reconstructed with higher angular resolution and dynamic range. In our case study, these improvements allowed for a distinction between a thermal and a non-thermal GRMHD model based on salient features in reconstructed images.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Gravitational index of the heterotic string

The fundamental heterotic string has a tower of BPS states whose supersymmetric index has an exponential growth in the charges. We construct the saddle-point of the gravitational path integral corresponding to this index. The saddle-point configuration is a supersymmetric rotating non-extremal Euclidean black hole. This configuration is singular in the two-derivative theory. We show that the addition of higher-derivative terms in four-dimensional N = 2 supergravity resolves the singularity. In doing so, we extend the recently-developed “new attractor mechanism” to include the effect of higher-derivative terms. Remarkably, the one-loop, four-derivative F-term contribution to the prepotential leads to a precise match of the gravitational and microscopic index. We also comment, using the effective theory near the horizon, on the possibility of a string-size near-extremal black hole. Our results clarify the meaning of different descriptions of this system in the literature. The thermal state transitions to a winding condensate and a gas of strings without ever reaching a small black hole, while the index is captured by the rotating Euclidean black hole solution and is constant and thus smoothly connected to the microscopic ensemble.

79 ASTRONOMY AND ASTROPHYSICS↗