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DOE OSTI2024

Mock data sets for the Eboss and DESI Lyman-α forest surveys

We present a publicly-available code to generate sets of mock Lyman-α (Lyα) forest data that have realistic large-scale correlations including those due to the Baryonic Acoustic Oscillations (BAO). The primary purpose of these mocks is to test the analysis procedures of the Extended Baryon Oscillation Survey (eBOSS) and the Dark Energy Spectroscopy Instrument (DESI) surveys. The transmitted flux fraction, F(λ), of background quasars due to Lyα absorption in the intergalactic medium (IGM) is simulated using the Fluctuating Gunn-Petterson Approximation (FGPA) applied to Gaussian random fields produced through the use of fast Fourier transforms (FFT). The output includes the IGM-Lyα transmitted flux fraction along quasar lines of sight and a catalog of high-column-density systems appropriately placed at high-density regions of the IGM. This output serves as input to additional code that superimposes the IGM tranmission on realistic quasar spectra, adds absorption by high-column-density systems and metals, and simulates instrumental transmission and noise. Redshift space distortions (RSD) of the flux correlations are implemented by including the large-scale velocity-gradient field in the FGPA resulting in a correlation function of F(λ) that can be accurately predicted. One hundred realizations have been produced over the 14,000 deg 2 DESI survey footprint with 100 quasars per deg 2 . The analysis of these realizations shows that the correlations of F(λ) follows the prediction within the accuracy of eBOSS survey. Here, the most time-consuming part of the mock production occurs before application of the FGPA, and the existing pre-FGPA forests can be used to easily produce new mock sets with modified redshift-dependent bias parameters or observational conditions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Collapsing universe before time

Abstract In this note, we prove analytic bounds on the equation of state of a cosmological fluid composed of an arbitrary number of canonical scalars evolving in a negative multi-exponential potential. Because of the negative energy, the universe is contracting and eventually undergoes a big crunch. A contracting universe is a fundamental feature of models of ekpyrosis and cyclic universes, which are a proposed alternative to cosmic inflation to solve the flatness and horizon problems. Our analytic bounds set quantitative constraints on general effective theories of ekpyrosis. When applied to specific top-down constructions, our bounds can be used to determine whether ekpyrosis could in principle be realized. We point out some possible sources of tension in realizing the ekpyrotic universe in controlled constructions of string theory.

Astronomy & Astrophysics↗

DOE OSTI2025

Validation of the DESI 2024 Lyα forest BAO analysis using synthetic datasets

The first year of data from the Dark Energy Spectroscopic Instrument (DESI) contains the largest set of Lyman-α (Lyα) forest spectra ever observed. This data, collected in the DESI Data Release 1 (DR1) sample, has been used to measure the Baryon Acoustic Oscillation (BAO) feature at redshift z = 2.33. In this work, we use a set of 150 synthetic realizations of DESI DR1 to validate the DESI 2024 Lyα forest BAO measurement presented in [1]. The synthetic data sets are based on Gaussian random fields using the log-normal approximation. We produce realistic synthetic DESI spectra that include all major contaminants affecting the Lyα forest. The synthetic data sets span a redshift range 1.8 < z < 3.8, and are analyzed using the same framework and pipeline used for the DESI 2024 Lyα forest BAO measurement. To measure BAO, we use both the Lyα auto-correlation and its cross-correlation with quasar positions. We use the mean of correlation functions from the set of DESI DR1 realizations to show that our model is able to recover unbiased measurements of the BAO position. We also fit each mock individually and study the population of BAO fits in order to validate BAO uncertainties and test our method for estimating the covariance matrix of the Lyα forest correlation functions. Finally, we discuss the implications of our results and identify the needs for the next generation of Lyα forest synthetic data sets, with the top priority being to simulate the effect of BAO broadening due to non-linear evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

The HalfDome multi-survey cosmological simulations: N-body simulations

Upcoming cosmological surveys have the potential to reach groundbreaking discoveries on multiple fronts, including the neutrino mass, dark energy, and inflation. Most of the key science goals require the joint analysis of datasets from multiple surveys to break parameter degeneracies and calibrate systematics. To realize such analyses, a large set of mock simulations that realistically model correlated observables is required. In this paper we present the N-body component of the HalfDome cosmological simulations, designed for the joint analysis of Stage-IV cosmological surveys, such as Rubin LSST, Euclid, SPHEREx, Roman, DESI, PFS, Simons Observatory, CMB-S4, and LiteBIRD. Our 300TB initial data release includes full-sky lightcones and halo catalogs between z = 0–4 for 11 fixed cosmology realizations, as well as an additional run with local primordial non-Gaussianity (f NL = 20). The simulations evolve 61443 particles in a 3.75 h -1 Gpc box, reaching a minimum halo mass of ∼6 × 1012 h -1 M ⊙ and maximum scale of k ∼ h Mpc-1. Our data is publicly available: instructions to access the data and plans for future data releases can be found at https://halfdomesims.github.io.

Bayer, Adrian E↗

DOE OSTI2026

Enhanced matter power spectrum from axion kination after Big Bang nucleosynthesis

Despite stringent constraints from Big Bang Nucleosynthesis (BBN) and cosmic microwave background (CMB) observations, it is still possible for well-motivated particle physics models to substantially alter the cosmic expansion history between BBN and recombination. In this work we consider two different axion models that can realize a period of first matter domination, then kination, in this epoch. We perform fits to both primordial element abundances as well as CMB data and determine that up to a decade of late axion domination is allowed by these probes of the early universe. We establish the implications of late axion domination for the matter power spectrum on the scales 1/Mpc ≲ k ≲ 10 3 /Mpc. Our 'log' model predicts a relatively modest bump-like feature together with a small suppression relative to the standard ΛCDM predictions on either side of the enhancement. Our 'two-field' model predicts a larger, plateau-like feature that realizes enhancements to the matter power spectrum of up to two orders of magnitude. These features have interesting implications for structure formation at the forefront of current detection capabilities.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Preliminary design overview and performance assessment of the ITER low-field side reflectometer

The design of the ITER low-field side reflectometer (LFSR) has matured to a complete end-to-end preliminary design. LFSR will supply three key plasma measurements: (1) electron density profile, (2) electron density fluctuations, and (3) poloidal rotation. Simultaneous measurements of the three quantities are enabled by an array of six monostatic antennas which inject from an equatorial port on the outboard side of the ITER vessel. Low-loss transmission lines, consisting of corrugated, overmoded waveguide and miter bends, transmit the 30–165 GHz, O- and X-mode signals to and from the ITER plasma. Integrated transmission-line components serve a range of purposes, such as protection from high-power stray radiofrequency radiation, accommodation of transmission-line displacement, and simultaneous measurement of reference and plasma phases during the discharge. Broadband transmission signals are realized by full-band microwave transceivers combined with quasi-optical multiplexing. A field-programmable gate array (FPGA) processor demodulates the profile reflectometer signals, enabling real-time density profile measurements for plasma control system feedback. A full-scale transmission line test facility provides an integrated environment to assess the performance of critical LFSR components. Theoretical modeling together with insertion loss measurements provide the basis for a comprehensive power budget, which accounts for transmitted output power, transmission-line losses, antenna coupling, and plasma effects. Results indicate that high signal-to-noise ratios are achievable with the current design. A synthetic reflectometer model, using real design parameters and baseline ITER profiles, has been developed to estimate the return signal. With evolving microwave and data acquisition technologies, full-band, ultrafast sweeps (<1 μs) will be realizable for ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Linear simulation of magnetohydrodynamic plasma response to three-dimensional magnetic perturbations in high-β P plasmas

In this work, we report the numerical analyses of linear magnetohydrodynamics (MHD) plasma response to applied three-dimensional magnetic perturbations (MPs) in a joint DIII-D/EAST collaboration on high-β P (poloidal beta) plasmas, utilizing the extended-MHD code M3D-C1, with the purpose of realizing a better understanding of the existing experiment in which the n=3 MPs were applied to such high-β P plasmas attempting to control large amplitude type-I ELMs. Such high-β P plasmas obtained at the DIII-D tokamak feature an upper-biased double null configuration, a high edge safety factor q 95 ~6.4, and a stable internal transport barrier (ITB) leading to relatively high core pressures. Single-fluid simulations show that the plasma response to n=3 MPs, including both non-resonant/kinking and resonant components, is significantly weaker than that to n=1 or 2 MPs. To survey the impact of q 95 on plasma response to applied MPs, the SEGWAY (Self-consistent Equilibrium Generating Workflow for AnalYsis) module, developed in the OMFIT integrated modelling framework, is employed to generate a series of equilibria with a wide range of q 95 while other key parameters including the normalized beta, electron density at pedestal top, and plasma shape are kept fixed. Compared to the vacuum response, single-fluid M3D-C1 simulations predict a much more significant decrease of resonant plasma response to the applied n=3 MPs at the maximum penetration radii as q 95 increases. In contrast to single-fluid simulation results showing resonant penetration occurs only near the pedestal top where the E×B toroidal rotation frequency is zero, two-fluid simulations show two comparable resonant penetrations locating near the pedestal top and the ITB foot, where the perpendicular electron rotation frequency is zero. Such resonant field penetration near the ITB foot may be responsible for the observed formation of a staircase structure in both electron density and temperature profiles and thereby a considerable deterioration of global plasma performance when MPs are applied in high-β P plasmas. Motivated by this numerical work, we provide some ideas for the future research, with the purpose of realizing effective ELM control in such high-β P plasmas on the DIII-D and EAST devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Recent advance progress of HL-3 experiments

Since the first plasma realized in 2020, a series of key systems on HL-3 (known as HL-2M before) tokamak have been equipped/upgraded, including in-vessel components (the first wall, lower divertor, and toroidal cryogenic/water-cooling/baking/glow discharge systems, etc.), auxiliary heating system of 11 MW, and 28 diagnostic systems (to measure the plasma density, electron temperature, radiation, magnetic field, etc.). Magnet field systems were commissioned firstly for divertor plasma discharges. During the 2nd experimental campaign of HL-3 tokamak, several great progresses have been achieved. Firstly, the successful operation with plasma current larger than 1 MA was achieved under a divertor configuration. Secondly, the advanced divertor concept with two distinct snowflake configurations was realized. It is found that the distribution of ion saturation current and heat flux on bottom plate becomes wide due to magnetic surface expansion, demonstrating the advantage of such configuration in the heat flux mitigation. In addition, using the combination of NBI, ECRH and LHCD, the standard sawtoothing high confinement mode of megampere plasma was firstly accessed on the HL-3. The successful commissioning of HL-3 is beneficial for the initial operation of ITER.

1 MA plasma↗

DOE OSTI2021

Time Projection Chambers instrumented with resistive MicroMegas for the SAND near detector of DUNE

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino accelerator experiment aiming for precise measurements of the neutrino oscillation parameters. DUNE will include a near detector complex regrouping three different detectors among which SAND (System for on-Axis Neutrino Detection) that will be the only one permanently on the neutrino beam axis in charge of monitoring in detail the emitted neutrino beam and its stability through time, a crucial characteristic to realize accurate oscillation measurements at the percent level. SAND will reuse the superconducting magnet and the electromagnetic calorimeter of the KLOE experiment. We will describe in the following the proposal of using, as inner tracker of SAND, a large 3D matrix of 1.5cm side scintillator cubes (3DST) surrounded by 3 gaseous Time Projection Chambers. This setup allows to realize accurate beam monitoring combining the 3DST unprecedented capability of neutron detection and energy measurement with the high precision momentum resolution for charged particles offered by the TPCs. The proposed TPC design allows to reach spatial resolutions of a few hundreds of micrometers using 1 cm pads by deploying the resistive MicroMegas technology for the charge readout.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

A compact dication source for Ba 2+ tagging and heavy metal ion sensor development

Here, we present a tunable metal ion beam that delivers controllable ion currents in the picoamp range for testing of dry-phase ion sensors. Ion beams are formed by sequential atomic evaporation and single or multiple electron impact ionization, followed by acceleration into a sensing region. Controllability of the ionic charge state is achieved through tuning of electrode potentials that influence the retention time in the ionization region. Barium, lead, and cadmium samples have been used to test the system, with ion currents identified and quantified using a quadrupole mass analyzer. Realization of a clean Ba 2+ ion beam within a bench-top system represents an important technical advance toward the development and characterization of barium tagging systems for neutrinoless double beta decay searches in xenon gas. This system also provides a testbed for investigation of novel ion sensing methodologies for environmental assay applications, with dication beams of Pb 2+ and Cd 2+ also demonstrated for this purpose.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

DUNE Phase II: scientific opportunities, detector concepts, technological solutions

The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The 2023 report of the US Particle Physics Project Prioritization Panel (P5) reaffirmed this vision and strongly endorsed DUNE Phase I and Phase II, as did the European Strategy for Particle Physics. While the construction of the DUNE Phase I is well underway, this White Paper focuses on DUNE Phase II planning. DUNE Phase-II consists of a third and fourth far detector (FD) module, an upgraded near detector complex, and an enhanced 2.1 MW beam. The fourth FD module is conceived as a “Module of Opportunity”, aimed at expanding the physics opportunities, in addition to supporting the core DUNE science program, with more advanced technologies. This document highlights the increased science opportunities offered by the DUNE Phase II near and far detectors, including long-baseline neutrino oscillation physics, neutrino astrophysics, and physics beyond the standard model. It describes the DUNE Phase II near and far detector technologies and detector design concepts that are currently under consideration. A summary of key R&D goals and prototyping phases needed to realize the Phase II detector technical designs is also provided. DUNE's Phase II detectors, along with the increased beam power, will complete the full scope of DUNE, enabling a multi-decadal program of groundbreaking science with neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

High voltage delivery and distribution for the NEXT-100 Time Projection Chamber

A critical element in the realization of large liquid andgas time projection chambers (TPCs) is the delivery and distributionof high voltages into and around the detector. Such experimentsrequire of order tens of kilovolts to enable electron drift overmeter-scale distances. This paper describes the design andoperation of the cathode feedthrough and high voltage distributionthrough the field cage of the NEXT-100 experiment, an undergroundTPC that will search for neutrinoless double beta decay0νββ. The feedthrough has been demonstrated to holdpressures up to 20 bar and sustain voltages as high as -65 kV.The TPC is operating stably at its design high voltages. The systemhas been realized within the constraints of a stringent radiopuritybudget and is now being used to execute a suite of sensitive doublebeta decay analyses.

Adams, C. [Argonne]↗

DOE OSTI2023

Much of zero emissions commitment occurs before reaching net zero emissions

Abstract We explore the response of the Earth’s coupled climate and carbon system to an idealized sequential addition and removal of CO 2 to the atmosphere, following a symmetric and continuous emissions pathway, in contrast to the discontinuous emissions pathways that have largely informed our understanding of the climate response to net zero and net negative emissions to date. We find, using both an Earth system model and an ensemble of simple climate model realizations, that warming during the emissions reduction and negative emissions phases is defined by a combination of a proportionality of warming to cumulative emissions characterized by the transient climate response to emissions (TCRE), and a deviation from that proportionality that is governed by the zero emissions commitment (ZEC). About half of the ZEC is realized before reaching zero emissions, and the ZEC thus also controls the timing between peak cumulative CO 2 emissions and peak temperature, such that peak temperature may occur before peak cumulative emissions if ZEC is negative, underscoring the importance of ZEC in climate policies aimed to limit peak warming. Thus we argue that ZEC is better defined as the committed warming relative to the expected TCRE proportionality, rather than as the additional committed warming that will occur after reaching net zero CO 2 emissions. Once established, the combined TCRE and ZEC relationship holds almost to complete removal of prior cumulative CO 2 emissions. As cumulative CO 2 emissions approach zero through negative CO 2 emissions, CO 2 concentrations drop below preindustrial values, while residual long-term climate change continues, governed by multicentennial dynamical processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Ferromagnetic gyroscopes for tests of fundamental physics

Abstract A ferromagnetic gyroscope (FG) is a ferromagnet whose angular momentum is dominated by electron spin polarization and that will process under the action of an external torque, such as that due to a magnetic field. Here we model and analyze FG dynamics and sensitivity, focusing on practical schemes for experimental realization. In the case of a freely floating FG, we model the transition from dynamics dominated by libration in relatively high externally applied magnetic fields, to those dominated by precession at relatively low applied fields. Measurement of the libration frequency enables in situ determination of the magnetic field and a technique to reduce the field below the threshold for which precession dominates the FG dynamics. We note that evidence of gyroscopic behavior is present even at magnetic fields much larger than the threshold field below which precession dominates. We also model the dynamics of an FG levitated above a type-I superconductor via the Meissner effect, and find that for FGs with dimensions larger than about 100 nm the observed precession frequency is reduced compared to that of a freely floating FG. This is due to an effect akin to negative feedback that arises from the distortion of the field from the FG by the superconductor. Finally we assess the sensitivity of an FG levitated above a type-I superconductor to exotic spin-dependent interactions under practical experimental conditions, demonstrating the potential of FGs for tests of fundamental physics.

Physics↗

DOE OSTI2024

2024 roadmap on 2D topological insulators

Abstract 2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the existence of 1D spin–momentum locked metallic edge states—both helical and chiral—surrounding an electrically insulating bulk. Forty years since the first discoveries of topological phases in condensed matter, the abstract concept of band topology has sprung into realization with several materials now available in which sizable bulk energy gaps—up to a few hundred meV—promise to enable topology for applications even at room-temperature. Further, the possibility of combining 2D TIs in heterostructures with functional materials such as multiferroics, ferromagnets, and superconductors, vastly extends the range of applicability beyond their intrinsic properties. While 2D TIs remain a unique testbed for questions of fundamental condensed matter physics, proposals seek to control the topologically protected bulk or boundary states electrically, or even induce topological phase transitions to engender switching functionality. Induction of superconducting pairing in 2D TIs strives to realize non-Abelian quasiparticles, promising avenues towards fault-tolerant topological quantum computing. This roadmap aims to present a status update of the field, reviewing recent advances and remaining challenges in theoretical understanding, materials synthesis, physical characterization and, ultimately, device perspectives.

Weber, Bent (ORCID:000000018586127X)↗

DOE OSTI2020

In situ compression artifact removal in scientific data using deep transfer learning and experience replay

The massive amount of data produced during simulation on high-performance computers has grown exponentially over the past decade, exacerbating the need for streaming compression and decompression methods for efficient storage and transfer of this data---key to realizing the full potential of large-scale computational science. Lossy compression approaches such as JPEG when applied to scientific simulation data realized as a stream of images can achieve good compression rates but at the cost of introducing compression artifacts and loss of information. This paper develops a unified framework for in situ compression artifact removal in which the fully convolutional neural network architectures are combined with scalable training, transfer learning, and experience replay to achieve superior accuracy and efficiency while significantly decreasing the storage footprint as compared with the traditional optimization-based approaches. We demonstrate the proposed approach and compare it with compressed sensing postprocessing and other baseline deep learning models using climate simulations and nuclear reactor simulations, both of which are driven by hyperbolic partial differential equations. Our approach when applied to remove the compression artifacts on the JPEG-compressed nuclear reactor simulation data (using a transfer-trained model that was pretrained on the climate simulation data and updated incrementally as the nuclear reactor simulation progressed), achieved a significant improvement---mean peak signal-to-noise ratio of 42.438 as compared with 27.725 obtained with the compressed sensing approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility

One compelling vision of the future of materials discovery and design involves the use of machine learning (ML) models to predict materials properties and then rapidly find materials tailored for specific applications. However, realizing this vision requires both providing detailed uncertainty quantification (model prediction errors and domain of applicability) and making models readily usable. At present, it is common practice in the community to assess ML model performance only in terms of prediction accuracy (e.g. mean absolute error), while neglecting detailed uncertainty quantification and robust model accessibility and usability. Here, we demonstrate a practical method for realizing both uncertainty and accessibility features with a large set of models. We develop random forest ML models for 33 materials properties spanning an array of data sources (computational and experimental) and property types (electrical, mechanical, thermodynamic, etc). All models have calibrated ensemble error bars to quantify prediction uncertainty and domain of applicability guidance enabled by kernel-density-estimate-based feature distance measures. All data and models are publicly hosted on the Garden-AI infrastructure, which provides an easy-to-use, persistent interface for model dissemination that permits models to be invoked with only a few lines of Python code. We demonstrate the power of this approach by using our models to conduct a fully ML-based materials discovery exercise to search for new stable, highly active perovskite oxide catalyst materials.

domain of applicability↗

DOE OSTI2019

A Leray regularized ensemble-proper orthogonal decomposition method for parameterized convection-dominated flows

Abstract Partial differential equations (PDEs) are often dependent on input quantities that are uncertain. To quantify this uncertainty PDEs must be solved over a large ensemble of parameters. Even for a single realization this can be a computationally intensive process. In the case of flows governed by the Navier–Stokes equations, an efficient method has been devised for computing an ensemble of solutions. To further reduce the computational cost of this method, an ensemble-proper orthogonal decomposition (POD) method was recently proposed. The main contribution of this work is the introduction of POD spatial filtering for ensemble-POD methods. The POD spatial filter makes possible the construction of the Leray ensemble-POD model, which is a regularized-reduced order model for the numerical simulation of convection-dominated flows of moderate Reynolds number. The Leray ensemble-POD model employs the POD spatial filter to smooth (regularize) the convection term in the Navier–Stokes equations, and diminishes the numerical inaccuracies produced by the ensemble-POD method in the numerical simulation of convection-dominated flows. Specifically, for the numerical simulation of a convection-dominated two-dimensional flow between two offset cylinders, we show that the Leray ensemble-POD method better reflects the dynamics of the benchmark results than the ensemble-POD scheme. The second contribution of this work is a new numerical discretization of the variable viscosity ensemble algorithm in which the average viscosity is replaced with the maximum viscosity. It is shown that this new numerical discretization is significantly more stable than those in current use. Furthermore, error estimates for the novel Leray ensemble-POD algorithm with this new numerical discretization are also proven.

Mathematics↗