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DOE OSTI2025

Doppler Backscattering Data Analysis and Integrated Modeling with OMFIT

One Modeling Framework for Integrated Tasks (OMFIT) is a widely used software tool in the magnetic fusion research community. OMFIT provides magnetic fusion energy researchers with a framework for the development of special-purpose physics modules. This paper describes an OMFIT physics module pertaining to the Doppler Backscattering (DBS) fusion plasma diagnostic. DBS measures density fluctuations and flow velocity through plasma scattering of electromagnetic waves. The OMFIT DBS module was developed to analyze experimental DBS data and facilitate modeling of DBS systems installed on multiple tokamak devices. The OMFIT DBS module is designed to support several analysis workflows: detailed analysis of experimental data, experimental planning, and theory-based synthetic diagnostic modeling. The DBS module uses integrated modeling by leveraging other OMFIT physics modules to perform tasks related to DBS, e.g. ray/beam–tracing simulations, edge-localized mode–synchronized data analysis, magnetic equilibrium reconstruction, and fitting kinetic profile data. Furthermore, this paper describes several supported workflows and serves a reference for the OMFIT DBS module.

Doppler backscattering↗

DOE OSTI2026

Performance evaluation of neutron noise analysis in detecting special nuclear materials

Reliable and rapid inspection techniques play a vital role in preventing illicit trafficking of special nuclear materials. Active interrogation systems using neutrons produced by portable, high-flux deuterium-deuterium or deuterium-tritium neutron generators are being actively developed as a secondary scanning tool for this purpose. In this study, a neutron noise analysis-based approach for detecting unshielded and shielded special nuclear materials by using a pulsed deuterium-tritium neutron generator was evaluated. Here, this approach analyzes the fluctuation of neutron counts. Its performance was quantified with regard to time-to-detection to achieve a minimum probability of detection of 99% and a probability of false alarm of less than 1% considering various amounts of special nuclear materials and different shielding configurations. It was demonstrated that this approach could detect 17 uranium slugs in 5 s given a neutron generator yield of 8.1 × 10 7 n/s. These slugs could be detected within a reasonable time frame (200 s) when they were shielded by 10.16 cm of high-density polyethylene. The results obtained using the neutron noise analysis approach were compared with those obtained using the commonly used differential die-away analysis technique, a sensitive technique for detecting the presence of fissile materials by utilizing the prompt fission neutrons produced when the source neutrons from a neutron generator are completely diminished. For example, the time to detect 2 unshielded uranium slugs was 2.1 s when using the differential die-away analysis technique; it increased to 93 s for the neutron noise analysis approach. Although the noise analysis-based approach exhibits an overall performance which is not as good as that of differential die-away, neutron noise provides an alternative method for effective detection of special nuclear materials.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Simulations of a hypersonic turbulent boundary layer over wavy surfaces

Here, we conduct large-eddy simulations of a Mach 5.84 cold wall turbulent boundary layer over one-dimensional wavy walls with varying amplitudes and wavelengths. Across all wall topologies, a series of alternating shock and expansion waves is shown to influence the entire boundary layer, and generate repeating wave patterns in the turbulent stresses, dispersive stresses, and turbulent kinetic energy budget. The series of alternating shocks and expansions imposes repeating adverse and favourable pressure gradients across the wavy wall, and at sufficient wall amplitude, triggers flow separation in the trough of the wave. Flow separation is demonstrated to influence the behaviour of wall pressure fluctuations over the wavy wall. In attached flows, the prominent frequencies are consistent with integral-scale boundary layer turbulence, whereas in separated flows, a two-decade frequency range is present, akin to two-dimensional shock–boundary layer interactions. Counter-rotating streamwise-oriented structures are observed on the windward side of the wave, which diminish over the wave crest. A conditional analysis demonstrates that these structures are present in the upstream boundary layer, and are amplified with increasing wall amplitude. An examination of the Görtler number and probability density function (PDF) of the fluctuating lateral wall shear stress demonstrates the strong correlation between a large Görtler number and growth of the PDF tail density, suggesting that the amplification of the counter-rotating streamwise-oriented structures are linked to centrifugal instabilities in regions of streamline concavity.

boundary layers↗

DOE OSTI2026

Instantaneous difference frequency locking observed during toroidicity-induced Alfvén eigenmode coupling in the DIII-D tokamak

In magnetic confinement fusion, toroidicity-induced Alfvén eigenmodes (TAEs) are well-studied, weakly stable solutions of the linearized ideal magnetohydrodynamic equations. Driven unstable by suprathermal populations of energetic particles, TAE pose a key vulnerability to the confinement of high-energy alpha particles generated by fusion reactions. Hence, it is paramount to understand TAE dynamics if a working reactor is to be realized. In this work, we detect and characterize signatures of nonstationary nonlinear coupling between TAE using a novel, time-resolved bispectral analysis; results are supported by analytic signal of band-passed data. Crucially, a stationary phase relationship between two TAE and a nascent low frequency fluctuation is observed precisely when the triple product of magnetic fluctuation amplitudes is enhanced. Local mode number and frequency spectrum, gleaned from beam-emission spectroscopy, corroborates simultaneous satisfaction of nonlinear matching conditions, and provides a tool to identify theorized pathways of energy transfer, e.g. TAE parametric instability.

bispectral analysis↗

DOE OSTI2023

The Dark Energy Survey Year 3 high-redshift sample: selection, characterization, and analysis of galaxy clustering

ABSTRACT The fiducial cosmological analyses of imaging surveys like DES typically probe the Universe at redshifts z < 1. We present the selection and characterization of high-redshift galaxy samples using DES Year 3 data, and the analysis of their galaxy clustering measurements. In particular, we use galaxies that are fainter than those used in the previous DES Year 3 analyses and a Bayesian redshift scheme to define three tomographic bins with mean redshifts around z ∼ 0.9, 1.2, and 1.5, which extend the redshift coverage of the fiducial DES Year 3 analysis. These samples contain a total of about 9 million galaxies, and their galaxy density is more than 2 times higher than those in the DES Year 3 fiducial case. We characterize the redshift uncertainties of the samples, including the usage of various spectroscopic and high-quality redshift samples, and we develop a machine-learning method to correct for correlations between galaxy density and survey observing conditions. The analysis of galaxy clustering measurements, with a total signal to noise S/N ∼ 70 after scale cuts, yields robust cosmological constraints on a combination of the fraction of matter in the Universe Ωm and the Hubble parameter h, $\Omega _m h = 0.195^{+0.023}_{-0.018}$, and 2–3 per cent measurements of the amplitude of the galaxy clustering signals, probing galaxy bias and the amplitude of matter fluctuations, bσ8. A companion paper (in preparation) will present the cross-correlations of these high-z samples with cosmic microwave background lensing from Planck and South Pole Telescope, and the cosmological analysis of those measurements in combination with the galaxy clustering presented in this work.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Surface fluctuating hydrodynamics methods for the drift-diffusion dynamics of particles and microstructures within curved fluid interfaces

Here we introduce fluctuating hydrodynamics approaches on surfaces for capturing the drift-diffusion dynamics of particles and microstructures immersed within curved fluid interfaces of spherical shape. We take into account the interfacial hydrodynamic coupling, traction coupling with the surrounding bulk fluid, and thermal fluctuations. For fluid-structure interactions, we introduce Immersed Boundary Methods (IBM) and related Stochastic Eulerian-Lagrangian Methods (SELM) for curved surfaces. We use these approaches to investigate the statistics of surface fluctuating hydrodynamics and microstructures. For velocity autocorrelations, we find characteristic power-law scalings $τ^{-1}, τ^{-2}$, and plateaus can emerge. This depends on the physical regime associated with the geometry, surface viscosity, and bulk viscosity. This differs from the characteristic $τ^{-3/2}$ scaling for bulk three dimensional fluids. We develop theory explaining these observed power-laws associated with time-scales for dissipation within the fluid interface and coupling to the surrounding fluid. We then use our introduced methods to investigate a few example systems and roles of hydrodynamic coupling and thermal fluctuations including for the kinetics of passive particles and active microswimmers in curved fluid interfaces.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Non-equilibrium entropy production and information dissipation in a non-Markovian quantum dot

This study measures trajectory-level entropy production and information dissipation in a driven, non-Markovian quantum dot using time-resolved optical dynamics and machine-learning-based analysis. Although not a 2D-material system, it is relevant because it demonstrates quantitative extraction of nonequilibrium dynamics from nanoscale optical fluctuations, which is conceptually connected to the proposed studies of transient charge and spin dynamics at interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Isothermal solidification for high-entropy alloy synthesis

Kinetically trapping the high-temperature states through rapid cooling solidification is widely used for the synthesis of high-entropy alloys (HEAs), especially those with intrinsically immiscible elemental combinations. However, strategies need to be developed to overcome the fundamental limitations of rapid cooling solidification in controlling the crystallinity, structure and morphology of HEAs. Here, in this study, we introduce an isothermal solidification strategy for the synthesis of HEAs by rapidly altering the metal alloy composition through liquid–liquid interface reactions at low temperatures, for example, from 25 °C to 80 °C. We use gallium (Ga)-based metal as the sacrificial reagent and mixing medium. By directing the reactions to the interfaces between the Ga-based liquid metal and an aqueous metal ion solution, the foreign metal ions can be reduced at the interfaces and incorporated into the liquid metal quickly. HEAs with various crystallinity (single crystal, mesocrystal, polycrystal and amorphous), morphology (zero, two and three dimensions) and compositions can be achieved through the isothermal solidification. Ga can be completely consumed, resulting in Ga-free HEAs. If desired, Ga can be one of the metal elements in the final products. In situ liquid phase transmission electron microscopy (TEM) studies and theoretical analysis show the isothermal solidification mechanisms. Our direct observations show the enhanced mixing of liquid metal elements and the solidification process with fluctuating nucleation dynamics. The isothermal solidification marks a powerful strategy for HEA synthesis through an unexplored pathway of kinetically trapping the high-entropy states.

Zhang, Qiubo [Lawrence Berkeley National Laborator↗

DOE OSTI2021

Data Driven Approach to Analyzing The Impact of Power Plant Cycling on Air Preheater Degradation and Remaining Useful Life

Due to the increased penetration of renewable energy generation sources, and fluctuations of the oil and gas prices, modern coal burning power plants deal with increased variability in the demand for power generation. These varying demands result in their intermittent under-capacity operation (cycling). Periodical ramping down and back up to follow the daily power demands causes damages to the plant components reducing its operational life. In this paper we analyze the impact of cycling on a rotary Ljungstrom air preheater (APH) unit installed at a coal fire power plant in the US. An inefficient air preheater can significantly impact boiler performance. Due to the repeated boiler’s hot-cold start, the APH experiences fluctuating operating conditions that result in accelerated degradation mechanisms, such as dew-point corrosion, fouling/deposition plugging, and air heater leakage. The analysis in this paper utilizes field data related to APH basket replacement, and the number of cycles experienced by the boiler to model the life expectancy of the baskets. The data-driven model enables preventive maintenance strategies for the APH by predicting how long the APH baskets will last in a probabilistic sense. Furthermore, the analysis showed that an increase in cycling for a fixed operation time can reduce the APH basket remaining useful life by about 30%.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2022

Full scale structural, mechanical and dynamical properties of HIV-1 liposomes

Enveloped viruses are enclosed by a lipid membrane inside of which are all of the components necessary for the virus life cycle; viral proteins, the viral genome and metabolites. Viral envelopes are lipid bilayers that adopt morphologies ranging from spheres to tubes. The envelope is derived from the host cell during viral replication. Thus, the composition of the bilayer depends on the complex constitution of lipids from the host-cell’s organelle(s) where assembly and/or budding of the viral particle occurs. Here, molecular dynamics (MD) simulations of authentic, asymmetric HIV-1 liposomes are used to derive a unique level of resolution of its full-scale structure, mechanics and dynamics. Analysis of the structural properties reveal the distribution of thicknesses of the bilayers over the entire liposome as well as its global fluctuations. Moreover, full-scale mechanical analyses are employed to derive the global bending rigidity of HIV-1 liposomes. Finally, dynamical properties of the lipid molecules reveal important relationships between their 3D diffusion, the location of lipid-rafts and the asymmetrical composition of the envelope. Overall, our simulations reveal complex relationships between the rich lipid composition of the HIV-1 liposome and its structural, mechanical and dynamical properties with critical consequences to different stages of HIV-1’s life cycle.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Cooling and diffusion rates in coherent electron cooling concepts

We present analytic cooling and diffusion rates for a simplified model of coherent electron cooling (CEC), based on a proton energy kick at each turn. This model also allows to estimate analytically the rms value of electron beam density fluctuations in the "kicker" section. Having such analytic expressions should allow for better understanding of the CEC mechanism, and for a quicker analysis and optimization of main system parameters. Our analysis is applicable to any CEC amplification mechanism, as long as the wake (kick) function is available.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Harnessing interpretable and unsupervised machine learning to address big data from modern X-ray diffraction

The information content of crystalline materials becomes astronomical when collective electronic behavior and their fluctuations are taken into account. In the past decade, improvements in source brightness and detector technology at modern X-ray facilities have allowed a dramatically increased fraction of this information to be captured. Now, the primary challenge is to understand and discover scientific principles from big datasets when a comprehensive analysis is beyond human reach. We report the development of an unsupervised machine learning approach, X-ray diffraction (XRD) temperature clustering (X-TEC), that can automatically extract charge density wave order parameters and detect intraunit cell ordering and its fluctuations from a series of high-volume X-ray diffraction measurements taken at multiple temperatures. We benchmark X-TEC with diffraction data on a quasi-skutterudite family of materials, (Ca x Sr 1–x ) 3 Rh 4 Sn 13 , where a quantum critical point is observed as a function of Ca concentration. We apply X-TEC to XRD data on the pyrochlore metal, Cd 2 Re 2 O 7 , to investigate its two much-debated structural phase transitions and uncover the Goldstone mode accompanying them. We demonstrate how unprecedented atomic-scale knowledge can be gained when human researchers connect the X-TEC results to physical principles. Specifically, we extract from the X-TEC–revealed selection rules that the Cd and Re displacements are approximately equal in amplitude but out of phase. This discovery reveals a previously unknown involvement of 5d 2 Re, supporting the idea of an electronic origin to the structural order. Our approach can radically transform XRD experiments by allowing in operando data analysis and enabling researchers to refine experiments by discovering interesting regions of phase space on the fly.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Mesh-Sequenced Realizations for Evaluation of Subgrid-Scale Models for Turbulent Combustion

This paper develops a new approach for analysis of subgrid closures for turbulent combustion as modeled using direct quadrature (finite-rate chemistry) techniques. The approach, termed multiresolution analysis through mesh-sequenced realizations (MRA-MSR), conducts simultaneous, constrained large-eddy simulations on a set of hierarchically coarsened meshes. Furthermore, the availability of underlying fine-mesh (subgrid) data corresponding to coarse-mesh locations allows a clearer assessment of the effects of unresolved fluctuations on apparent reactivity. A key to MRA-MSR is the correlation of eddy structures at coarser mesh levels, which is facilitated by the transfer of filtered fine-mesh velocity information. A seven-mesh MRA-MSR hierarchy using three resolution levels is applied to one of the Sydney bluff-body stabilized methane–hydrogen flames. Analysis of the simultaneously evolved data at different resolution levels reveals several interesting trends. First, at high Damköhler numbers, there is clear evidence of attenuation of apparent reactivity due to the effects of unresolved fluctuations. Secondly, single-point, single-time filtered density functions of a normalized subgrid Damköhler number show a characteristic beta probability density function (PDF) form and display evidence of scale similarity. Interrogation of the MRA-MSR database also shows that the recently-proposed least-squares minimization (LSM) turbulence–chemistry interaction model can account for the observed diminishment in reactivity at high Damköhler numbers but cannot reduce scatter significantly. A new form of the LSM model, which makes use of the normalized subgrid Damköhler number beta PDF distribution, performs slightly better than the original model, illustrating the potential of MRA-MSR both in assessing existing closure concepts and in developing new ones.

42 ENGINEERING↗

DOE OSTI2024

Sub-Diurnal Methane Variations on Mars Driven by Barometric Pumping and Planetary Boundary Layer Evolution

In recent years, the Tunable Laser Spectrometer within the Sample Analysis at Mars (TLS-SAM) instrument on board the Mars Science Laboratory (MSL) Curiosity rover has detected methane variations in the atmosphere at Gale crater. Methane concentrations appear to fluctuate seasonally as well as sub-diurnally, which is difficult to reconcile with an as-yet-unknown transport mechanism delivering the gas from underground to the atmosphere. To potentially explain the fluctuations, we consider barometrically induced transport of methane from an underground source to the surface, modulated by temperature-dependent adsorption. The subsurface fractured-rock seepage model is coupled to a simplified 1-D atmospheric mixing model to provide insights on the pattern of atmospheric methane concentrations in response to transient surface methane emissions, as well as to predict sub-diurnal variation in methane abundance for the northern summer period, which is a candidate time frame for a MSL Curiosity sampling campaign. Our analysis suggests that there is a lower limit to the subsurface fracture density that can produce the observed methane patterns, below which the atmospheric methane variations would be out of phase with the observations. The best-performing model scenarios indicate a significant, short-lived methane pulse just prior to sunrise, the detection of which by TLS-SAM would be a potential indicator of the contribution of barometric pumping to Mars' atmospheric methane variations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Atacama Cosmology Telescope DR6 and DESI: Structure growth measurements from the cross-correlation of DESI legacy imaging galaxies and CMB lensing from ACT DR6 and 𝑃⁢𝑙⁢𝑎⁢𝑛⁢𝑐⁢𝑘 PR4

We measure the growth of cosmic density fluctuations on large scales and across the redshift range 0.3 < 𝑧 < 0.8 through galaxy clustering and the cross-correlation of the ACT data release 6 cosmic microwave background (CMB) lensing map and galaxies from the Dark Energy Spectroscopic Instrument Legacy Survey, using three galaxy samples spanning the redshifts of 0.3 ≲ 𝑧 ≲ 0.45, 0.45 ≲ 𝑧 ≲ 0.6, 0.6 ≲ 𝑧 ≲ 0.8. We adopt a scale cut where nonlinear effects are negligible, so that the cosmological constraints are derived from the linear regime. We determine the amplitude of matter fluctuations over all three redshift bins using Atacama Cosmology Telescope (ACT) data alone to be 𝑆 8 ≡ 𝜎 8 ⁢(Ω 𝑚 /0.3) 0.5 =0.772 ± 0.040 in a joint analysis combining the three redshift bins and ACT lensing alone. Using a combination of ACT and Planck data we obtain 𝑆 8 = 0.765 ± 0.032. The lowest redshift bin used is the least constraining and exhibits a ∼2⁢𝜎 tension with the other redshift bins; thus we also report constraints excluding the first redshift bin, giving 𝑆 8 = 0.785 ± 0.033 for the combination of ACT and Planck. This result is in excellent agreement at the 0.3⁢𝜎 level with measurements from galaxy lensing, but is 1.8⁢𝜎 lower than predictions based on Planck primary CMB data. Understanding whether this hint of discrepancy in the growth of structure at low redshifts arises from a fluctuation, from systematics in data, or from new physics is a high priority for forthcoming CMB lensing and galaxy cross-correlation analyses.

cosmic microwave background↗

DOE OSTI2022

Collaborative Research: Analysis of wave mode content in fully turbulent, moderately collisional plasma laboratory experiment and kinetic simulation

Our major goal for the project is to make magnetic and Langmuir-probe-based density fluctuations measurements using identical diagnostic and acquisition setups on two different laboratory-based turbulent plasma devices: SSX at Swarthmore College and a new plasma source in development at Bryn Mawr College (BMX). We propose to generate single-point correlation and k-filtering metrics using these experimental measurements. These metrics will be compared directly to kinetic simulations of the experimental environments in order to determine wave mode content of the laboratory turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Atacama Cosmology Telescope DR6 and DESI: Structure growth measurements from the cross-correlation of DESI legacy imaging galaxies and CMB lensing from ACT DR6 and P l a n c k PR4

We measure the growth of cosmic density fluctuations on large scales and across the redshift range 0.3 < z < 0.8 through galaxy clustering and the cross-correlation of the ACT data release 6 cosmic microwave background (CMB) lensing map and galaxies from the Dark Energy Spectroscopic Instrument Legacy Survey, using three galaxy samples spanning the redshifts of 0.3 ≲ z ≲ 0.45 , 0.45 ≲ z ≲ 0.6 , 0.6 ≲ z ≲ 0.8 . We adopt a scale cut where nonlinear effects are negligible, so that the cosmological constraints are derived from the linear regime. We determine the amplitude of matter fluctuations over all three redshift bins using Atacama Cosmology Telescope (ACT) data alone to be S 8 ≡ σ 8 ( Ω m / 0.3 ) 0.5 = 0.772 ± 0.040 in a joint analysis combining the three redshift bins and ACT lensing alone. Using a combination of ACT and Planck data we obtain S 8 = 0.765 ± 0.032 . The lowest redshift bin used is the least constraining and exhibits a ∼ 2 σ tension with the other redshift bins; thus we also report constraints excluding the first redshift bin, giving S 8 = 0.785 ± 0.033 for the combination of ACT and Planck. This result is in excellent agreement at the 0.3 σ level with measurements from galaxy lensing, but is 1.8 σ lower than predictions based on Planck primary CMB data. Understanding whether this hint of discrepancy in the growth of structure at low redshifts arises from a fluctuation, from systematics in data, or from new physics is a high priority for forthcoming CMB lensing and galaxy cross-correlation analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

In-plane uniaxial pressure-induced out-of-plane antiferromagnetic moment and critical fluctuations in BaFe 2 As 2

A small in-plane external uniaxial pressure has been widely used as an effective method to acquire single domain iron pnictide BaFe 2 As 2 , which exhibits twin-domains without uniaxial strain below the tetragonal-to-orthorhombic structural (nematic) transition temperature T s . Although it is generally assumed that such a pressure will not affect the intrinsic electronic/magnetic properties of the system, it is known to enhance the antiferromagnetic (AF) ordering temperature T N ( < T s ) and create in-plane resistivity anisotropy above T s . Here we use neutron polarization analysis to show that such a strain on BaFe 2 As 2 also induces a static or quasi-static out-of-plane ( c -axis) AF order and its associated critical spin fluctuations near T N / T s . Therefore, uniaxial pressure necessary to detwin single crystals of BaFe 2 As 2 actually rotates the easy axis of the collinear AF order near T N / T s , and such effects due to spin-orbit coupling must be taken into account to unveil the intrinsic electronic/magnetic properties of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗