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DOE OSTI2024

Numerical challenges for energy conservation in N -body simulations of collapsing self-interacting dark matter halos

Dark matter (DM) halos can be subject to gravothermal collapse if the DM is not collisionless, but engaged in strong self-interactions instead. When the scattering is able to efficiently transfer heat from the centre to the outskirts, the central region of the halo collapses and reaches densities much higher than those for collisionless DM. This phenomenon is potentially observable in studies of strong lensing. Current theoretical efforts are motivated by observations of surprisingly dense substructures. However, a comparison with observations requires accurate predictions. One method to obtain such predictions is to use N-body simulations. Collapsed halos are extreme systems that pose severe challenges when applying state-of-the-art codes to model self-interacting dark matter (SIDM). In this work, we investigate the root of such problems, with a focus on energy non-conservation. Moreover, we discuss possible strategies to avoid them. We ran N-body simulations, both with and without SIDM, of an isolated DM-only halo and we adjusted the numerical parameters to check the accuracy of the simulation. We find that not only the numerical scheme for SIDM can lead to energy non-conservation, but also the modelling of gravitational interaction and the time integration are problematic. The main issues we find are: (a) particles changing their time step in a non-time-reversible manner; (b) the asymmetry in the tree-based gravitational force evaluation; and (c) SIDM velocity kicks breaking the time symmetry. Tuning the parameters of the simulation to achieve a high level of accuracy allows us to conserve energy not only at early stages of the evolution, but also later on. However, the cost of the simulations becomes prohibitively large as a result. Some of the problems that make the simulations of the gravothermal collapse phase inaccurate can be overcome by choosing appropriate numerical schemes. However, other issues still pose a challenge. Our findings motivate further works on addressing the challenges in simulating strong DM self-interactions.

dark matter↗

DOE OSTI2023

Energy transfer and scale dynamics in 2D and 3D laser-driven jets

We demonstrate a methodology for diagnosing the multiscale dynamics and energy transfer in complex HED flows with realistic driving and boundary conditions. The approach separates incompressible, compressible, and baropycnal contributions to energy scale-transfer and quantifies the direction of these transfers in (generalized) wavenumber space. We use this to compare the kinetic energy (KE) transfer across scales in simulations of 2D axisymmetric vs fully 3D laser-driven plasma jets. Using the FLASH code, we model a turbulent jet ablated from an aluminum cone target in the configuration outlined. We show that, in addition to its well known bias for underestimating hydrodynamic instability growth, 2D modeling suffers from significant spurious energization of the bulk flow by a turbulent upscale cascade. In 2D, this arises as vorticity and strain from instabilities near the jet's leading edge transfer KE upscale, sustaining a coherent circulation that helps propel the axisymmetric jet farther (⁠ ≈25% by 3.5 ns) and helps keep it collimated. In 3D, the coherent circulation and upscale KE transfer are absent. Here, the methodology presented here may also help with inter-model comparison and validation, including future modeling efforts to alleviate some of the 2D hydrodynamic artifacts highlighted in this study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Geometry dependence of the fluctuation intensity in gyrokinetic turbulence

The findings of an investigation into the properties of the three dimensional (3D) saturated fluctuation intensity of the electric potential in gyrokinetic turbulence simulations is presented. Scans in flux surface elongation and Shafranov shift are used to isolate the tokamak geometric dependencies. The potential intensity required in order to compute exact fluxes by a quasilinear method is determined using linear eigenmodes computed with the gyrokinetic code. A model of this non-linear intensity is constructed using the linear eigenmode properties and the geometry shape functions obtained from the 3D intensity spectrum. The model computes the poloidal wavenumber spectrum of the electron and ion energy fluxes with unprecedented accuracy. In conclusion, new insights are gained into the way zonal flow mixing saturates ion-scale turbulence by controlling the radial wavenumber width of the turbulence spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Quasioptical propagation and absorption of electron cyclotron waves: simulations and experiment

Electron-cyclotron resonance heating is an essential tool for manipulating fusion plasmas and has been diligently studied for decades through numerical simulations and experiments. Here, we report the first comparison of simulations using the quasioptical code PARADE (PAraxial RAy DEscription) with experiments using a target-plate system on the Large Helical Device. We find that the numerical and experimental results agree qualitatively, which makes PARADE a promising code for modeling of electron-cyclotron wave beams in future experiments. The signature advantage of PARADE is its ability to capture both mode conversion and inhomogeneity of the dissipation rate across the beam cross section. Accounting for these effects, which can noticeably affect the power deposition, significantly improves the agreement between numerical results and experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Simultaneous measurements of unstable and stable Alfvén eigenmodes in JET

Here, we report the novel experimental observation of both unstable and stable toroidicity-induced Alfvén eigenmodes (TAEs) measured simultaneously in a JET tokamak plasma. The three-ion-heating scheme (D-DNBI-3He) is employed to accelerate deuterons to MeV energies, thereby destabilizing TAEs with toroidal mode numbers n = 3–5, each decreasing in mode amplitude. At the same time, the Alfvén eigenmode active diagnostic resonantly excites a stable n = 6 TAE with total normalized damping rate –γ/ω 0 ≈ 1%–4%. Hybrid kinetic-MHD modeling with codes NOVA-K and MEGA both find eigenmodes with similar frequencies, mode structures, and radial locations as in experiment. NOVA-K demonstrates good agreement with the n = 3, 4, and 6 TAEs, matching the damping rate of the n = 6 mode within uncertainties and identifying radiative damping as the dominant contribution. Improved agreement is found with MEGA for all modes: the unstable n = 3–5 and stable n = 2, 6 modes, with the latter two stabilized by higher intrinsic damping and lower fast ion drive, respectively. While some discrepancies remain to be resolved, this unique validation effort gives us confidence in TAE stability predictions for future fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Analysis and design of fast flow liquid Li divertor for fusion nuclear science facility (FNSF) using coupled plasma boundary and LM MHD/heat transfer codes *

The SOLPS-ITER code is utilized to analyze the boundary plasma associated with a fast-flow lithium (Li) divertor configuration in the fusion nuclear science facility (FNSF) tokamak and identify operational regimes with acceptable divertor and core conditions. Plasma transport from the SOLPS-ITER code has been coupled with a liquid metal (LM) MHD/heat transfer code to model a Li open-surface divertor design and assess its impact on the scrape-off-layer (SOL) and core plasma performance. Simulations with only Neon (Ne) impurity seeding have been conducted to evaluate its impact on meeting FNSF design demands for the divertor and upstream plasma parameters. Simulation results indicate that Ne seeding significantly mitigates divertor heat flux but potentially reduces both upstream electron and main ion density due to fuel dilution. The combined application of Ne seeding and deuterium (D 2 ) puffing is required to satisfy the FNSF design requirements on upstream density ($n^{OMP}_{e,sep}$~1× 10 20 m -3 ) and divertor energy flux ($q^{Odiv}_{\bot,max}$<10 MW m -2 ). D 2 puffing plays a role in counteracting upstream density drops and augmenting energy and momentum losses through atomic and molecular processes. The inlet Li flow velocity is systematically varied across a wide range to identify acceptable flows and corresponding LM surface temperatures. This comprehensive analysis identifies the acceptable Li flow parameters, LM surface temperature, and emitted Li fluxes necessary to meet the major design constraints. The emitted Li fluxes exhibit minimal impact on the main plasma at surface temperatures up to approximately ~525 °C, corresponding emitted Li fluxes of up to φ Li ~2X10 23 atoms s -1 . Uncertainties in the Li emission processes from the surface are also investigated, primarily influencing Li loss in the lower surface temperature range (<525 °C), with simulation results indicating a minor impact on the divertor and upstream plasma. Conversely, evaporation predominantly drives the Li loss processes at higher surface temperature ranges (>525 °C), contaminating both the divertor and upstream plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Spectral analysis of ultra-cool white dwarfs polluted by planetary debris

ABSTRACT We identify two ultra-cool (${T_\mathrm{eff}}\lt 4000$ K) metal-polluted (DZ) white dwarfs WD J2147−4035 and WD J1922+0233 as the coolest and second coolest DZ stars known to date with ${T_\mathrm{eff}}\approx 3050$ K and ${T_\mathrm{eff}}\approx 3340$ K, respectively. Strong atmospheric collision-induced absorption (CIA) causes the suppression of red optical and infrared flux in WD J1922+0233, resulting in an unusually blue colour given its low temperature. WD J2147−4035 has moderate infrared CIA yet has the reddest optical colours known for a DZ white dwarf. Microphysics improvements to the non-ideal effects and CIA opacities in our model atmosphere code yields reasonable solutions to observations of these ultra-cool stars. WD J2147−4035 has a cooling age of over 10 Gyr which is the largest known for a DZ white dwarf, whereas WD J1922+0233 is slightly younger with a cooling age of 9 Gyr. Galactic kinematics calculations from precise Gaia EDR3 astrometry reveal these ultra-cool DZ stars as likely members of the Galactic disc thus they could be pivotal objects in future studies constraining an upper age limit for the disc of the Milky Way. We present intermediate-resolution spectroscopy for both objects, which provides the first spectroscopic observations of WD J2147−4035. Detections of sodium and potassium are made in both white dwarfs, in addition to calcium in WD J1922+0233 and lithium in WD J2147−4035. We identify the magnetic nature of WD J2147−4035 from Zeeman splitting in the lithium line and also make a tentative detection of carbon, so we classify this star as DZQH. WD J1922+0233 likely accreted planetary crust debris, while the debris composition that polluted WD J2147−4035 remains unconstrained.

Elms, Abbigail K. (ORCID:0000000176667416)↗

DOE OSTI2021

Atmospheric neutrinos in next-generation xenon and argon dark matter experiments

In this work, we study the sensitivity of future xenon- and argon-based dark matter and neutrino detection experiments to low-energy atmospheric neutrinos. Not accounting for experimental backgrounds, the primary obstacle for identifying nuclear recoils induced by atmospheric neutrinos in xenon is the tail of the electron recoil distribution due to pp solar neutrinos. We use the NEST code to model the solar and atmospheric neutrino signals in a xenon detector and find that an exposure of 700 tonne-years will produce a 5σ detection of atmospheric neutrinos. We explore the effect of different detector properties and find that a sufficiently long electron lifetime is essential to the success of such a measurement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

xGFabric: Coupling Sensor Networks and HPC Facilities with Private 5G Wireless Networks for Real-Time Digital Agriculture

Advanced scientific applications require coupling distributed sensor networks with centralized high-performance computing facilities. Citrus Under Protective Screening (CUPS) exemplifies this need in digital agriculture, where citrus research facilities are instrumented with numerous sensors monitoring environmental conditions and detecting protective screening damage. CUPS demands access to computational fluid dynamics codes for modeling environmental conditions and guiding real-time interventions like water application or robotic repairs. These computing domains have contrasting properties: sensor networks provide low-performance, limited-capacity, unreliable data access, while high-performance facilities offer enormous computing power through high-latency batch processing. Private 5G networks present novel capabilities addressing this challenge by providing low latency, high throughput, and reliability necessary for near-real-time coupling of edge sensor networks with HPC simulations. This work presents xGFabric, an end-to-end system coupling sensor networks with HPC facilities through Private 5G networks. The prototype connects remote sensors via 5G network slicing to HPC systems, enabling real-time digital agriculture simulation.

Digital Agriculture↗

DOE OSTI2022

mie_scat

This is a standalone Fortran code (mie_scat) that calculates the mie scattering cross sections, absorption cross sections, and efficiency coefficients of dust grains. It includes a separate file (miegrn) that functions as a wrapper function between PHOENIX (a proprietary radiative transfer code to model stellar atmospheres) and the mie scattering calculations. Miegrn works to determine the input parameters for mie_scat and then feeds the resultant data back into PHOENIX.

Stangl, Sarah↗

DOE OSTI2023

SCALE

SCALE v6.3.1 is a beta version built from existing SCALE code. This code provides modeling and simulation of nuclear reactor physics, criticality safety, radiation shielding, and associated spent fuel characterization for nuclear facilities and nuclear fuel transportation and storage package designs (please see attachment for more details).

Ade, Brian↗

DOE OSTI2025

ellora-spack-gen

The project contains software to analyze the behavior of large language models at code generation tasks. Publicly available information is used to generate Spack package recipes for HPC developers. The software contains orchestration tooling, analysis, and plotting functionality.

Melone, CaetanoN↗

DOE OSTI2021

MELCOR

MELCOR is a fully integrated, engineering-level computer code for modeling the progression of severe accidents in light water reactors (LWR) at nuclear power plants and nuclear fuel cycle facilities. Originally developed to assess severe accidents following Three Mile Island, MELCOR’s flexible modeling framework has enabled it to be applied to safety assessments of a much broader range of nuclear power reactor designs and other types of nuclear facilities processing radioactive material. Further, MELCOR can model a broad spectrum of severe accident phenomena such as thermal-hydraulic response in a reactor coolant system; core heat-up, degradation, and relocation; and transport behavior in both boiling water and pressurized water reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

National Cost-Effectiveness of ANSI/ASHRAE/IES Standard 90.1–2019

The purpose of this analysis is to examine the cost-effectiveness of the 2019 edition of ANSI/ASHRAE/IES Standard 90.1, which is developed by the ASHRAE Standard Standing Project Committee (SSPC) 90.1, and is the model energy standard for all commercial buildings and multifamily residential buildings over three floors. PNNL analyzed the cost-effectiveness of changes in Standard 90.1-2019, compared to the previous 90.1-2016 edition, as applied in commercial buildings across the United States. In reviewing proposed changes to Standard 90.1, the SSPC considers the cost-effectiveness of individual changes (addenda). Due to the continuous nature of the development process, however, ASHRAE does not evaluate the entire package of addenda from one edition of the standard to the next, which is of particular interest to adopting state and local governments. Providing states with an analysis of cost-effectiveness facilitates a more comprehensive understanding of the impacts associated with updated model energy codes, informs the state decision-making process and its authorities, and ultimately encourages greater adoption of updated of energy codes. This information also informs the development of future editions of Standard 90.1.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

MFIX DEM Enhancement for Industry-Relevant Flows (Final Report)

The overall goal of this two-phase project is to implement performance improvements of the Multiphase Flow with Interphase Exchanges (MFIX) Discrete Element Model (DEM) code that enable a transformative shift for industrial use. Prior to this effort, the largest simulations performed using MFIX are O(10 7 ) particles. This falls short of the O(10 9 ) particle simulations that must be completed on a timescale of days or weeks (vs. months or years) to enable simulations with physically-relevant domain sizes to be incorporated into industrial design cycles within five years. This was accomplished by tailoring best-in-class practices to bear on the unique challenges posed by the MFIX-DEM algorithm and code base. Scientific simulations (e.g., in cosmology, turbulent combustion) routinely use massively parallel computing to update far more particles in short wall clock times. Results from Phase 1 (1.5 years in duration) indicated significant gains in speed were possible for a wide range of benchmark cases. Moreover, a survey sent to >35 companies indicates that the timing is ideal for such an enhanced tool, with >80% of the respondents indicating that DEM is already value-added or will be within the next 5 years, and >70% of the respondents indicating that improved speed is the top computational priority. In Phase 2 (3.5 years in duration), the two major barriers that hinder industry from effectively using multiphase Computational Fluid Dynamics (CFD) to cut costs and improve performance, namely computational overhead and confidence in predictions, continued to be addressed. Regarding the former, the results from Phase 1 to guide the effort, with enhancements focused on an improved time-stepping algorithm and particle sorting. Four target problems of 1 billion particles each and increasing complexity were identified: homogeneous cooling, tumbler with continuous particle size distribution, discharge from a rectangular hopper and a cylindrical riser. Each of these were successfully simulated for relevant time scales (on order of seconds) using less than 24 hours of wall clock time. These represent the first 1-billion particle DEM simulations performed with MFIX, namely using the MFIX-Exa code. This code is currently under development at NETL in collaboration with Lawrence Berkeley National Laboratory. Regarding the second barrier on predictive uncertainty, experiments from Phase 1 (interacting nozzles - hydrodynamics only) and Phase 2 (very small-scale segregation experiments) were used to demonstrate the ability of two simplified approaches to uncertainty quantification (UQ). By limiting the number of particles, UQ based on the simplified treatment was compared to standard UQ, which was shown to have much higher computational demands. Experiments were also performed on a pilot-scale stripper unit to provide validation data for future CFD-DEM simulations and UQ.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2022

A Brief Overview of VPIC [Slides]

VPIC 2.0 is an open source, fully kinetic, fully relativistic, general purpose particle-in-cell (PIC) code for modeling a broad range of plasmas—from micron-scale short-pulse laser-plasma interactions to Earth-scale magnetospheric plasmas, including laser-plasma instability, magnetic flux ropes, and magnetic reconnection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Benchmark Specifications for TREAT Tests M5, M6, and M7

Detailed information describing three TREAT tests performed on metallic fuels has been collected and organized for use as a benchmark in evaluating the performance of metallic fuel models and codes. The tests, designated M5, M6, and M7, subjected EBR-II-irradiated fuel pins to a single type of overpower transient (at prototypical conditions with full coolant flow and an exponential power rise on an 8 second period) in flowing sodium loops. Six fuel pins were tested; five were ternary (U-19Pu-10Zr) alloy fuel clad in D9 with burnup ranging from 0.8 to 9.8 at. %, and one was binary alloy fuel (U-10Zr) clad in HT9 with 2.9 at. % burnup. The information gathered from the test records is expected to be useful for pre-transient characterization of the irradiated fuel pins as well as the transient analysis of the metallic fuel when subjected to severe accident conditions. This report presents benchmark specifications for the M5, M6, and M7 TREAT tests, identifies where primary sources of benchmark-related information can be found, and includes background information to help a user of the data understand their applicability and limitations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

MRT 7365 Power flow physics and key physics phenomena: EMPIRE verification suite

This milestone work baselines electromagnetic particle-in-cell capability of the EMPIRE plasma simulation code to model key processes germane to the physics of electrode plasmas arising in magnetically-insulated transmission lines operating at or near 20 MA. This evaluation is done so through the provision of benchmark verification problems designed to exercise the individual and combined physics models on a small-scale surrogate geometry for the final-feed-to-load region of the Z accelerator under representative operating conditions. In this report, we overview our test designs, and present a portfolio of simulation results along with performance assessments which altogether establish state-of-the-art. In particular, two main verification categories are covered this report: (1) Z-relevant desorption physics (Temkin isotherm), and (2) two approaches to simulate electrode plasma creation and dynamics (automatic creation versus self-consistent creation through direct simulation Monte Carlo collisions).

43 PARTICLE ACCELERATORS↗