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DOE OSTI2024

Support of domain decomposition-based solvers in Chroma

In multilevel integration, the correlation functions are decomposed into factors that depend only on fields localized into lattice subdomains so that they can be independently integrated. Although the standard formulation of the LQCD action is not local in the presence of fermions, past studies have shown approximations of the quark propagator and the fermionic determinant dependent on the gauge fields within specific subdomains can still be effective. We will present our current progress in supporting domain decomposition within Chroma, which is necessary for multilevel integration approaches. The efforts are focused on extending the code base to efficiently manipulate subdomains for lattice fields and operators and performing inversions and eigendecompositions within domains.

Alcalde, Eloy Romero↗

DOE OSTI2024

Domain decomposition efforts in Chroma

Multilevel integration is a technique used in lattice quantum chromodynamics (LQCD) simulations, where the correlation functions are decomposed into factors that depend only on fields localized within specific lattice subdomains. The approach significantly improves the efficiency of the calculations because the factors can be independently integrated. The main challenge in implementing multilevel integration is that the standard formulation of the LQCD action is not local in the presence of fermions. However, past studies have shown that approximations of the quark propagator and the fermionic determinant, which depend on the gauge fields within specific subdomains, can still be effective. We will present the current progress in supporting domain decomposition within the Chroma software, which is necessary for implementing multilevel integration approaches. Most of the efforts have focused on extending the Chroma code base to efficiently manipulate subdomains for lattice fields and operators, as well as performing inversions and eigendecompositions within these domains.

Alcalde, Eloy Romero↗

DOE OSTI2025

Robust Dark Energy Constraints with the Dark Energy Spectroscopic Survey (Final Technical Report)

This project developed and applied advanced theoretical, computational, and data-analysis methodologies to extract robust and precise cosmological constraints from the Dark Energy Spectroscopic Instrument (DESI). The work focused on maximizing the scientific return of DESI through optimized survey strategy, novel higher-order clustering statistics, improved modeling of small-scale structure, and rigorous mitigation of observational systematics. Over the award period, the project made substantial contributions to DESI science planning, produced new methods for bispectrum and three-point correlation function analyses, advanced constraints on primordial non-Gaussianity, and delivered widely used software tools. The project also played a major role in training graduate students and a postdoctoral researcher who contributed directly to DESI key projects. The results have significantly enhanced the cosmological reach of DESI and provide a strong foundation for future surveys such as DESI-II and Stage-V experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Remarks on the thesis of Aitor Bengoechea Fernández: Generalization of Doppler effect processing using S(α,β) thermal diffusion laws

The thesis titled “Generalization of Doppler effect processing using S(α,β) thermal diffusion laws” addresses a critical gap in the modeling of neutron scattering phenomena in nuclear materials, particularly where crystal lattice effects intersect with low-energy resonances. Conducted within the Doctoral School ED 352 at Aix-Marseille Université and hosted at CEA Cadarache, the research presents a theoretical and numerical framework for extending the applicability of Thermal Scattering Laws (TSLs) using higher-order correlation functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Uniting Theory and Experiment to Deliver Flexible MOFS for Superior Methane (NG) Storage

The objective of the project was to use previous insights developed through synthesis and quantitative modeling of rigid metal–organic frameworks (MOFs) in an established synergistic theoretical/experimental team to create, modify, and evaluate flexible MOFs (FlexMOFs) for natural gas (NG) storage and release at practically useful pressures and transform the NG storage economy. The goal was reduced pressure absorbed natural gas (ANG) FlexMOF storage at operating pressures less than 100 bar with physisorption exploiting the favorable thermodynamics and kinetics of flexible porous material opening in response to adsorption. Hydrogen behavior in this context was also considered. The specific aim of the project was to design and develop a standard computational modeling methodology for, first, detailed atomistic retrodiction of FlexMOF gating behavior and ultimately prediction of the effects of functionalization and/or substitution on structural transitioning. The project was also geared towards the establishment of the interaction of methane with the framework and binding sites using modeling and the FlexMOF will be both internally and external validated as a SMART metric. This has value to the scientific community both from the obvious standpoint of providing a better understanding of the promising test case systems (CdIF-13 and the MIL-53(Al) series of MOFs), but also in providing an avenue of obtaining insight into these FlexMOF systems in general, which is of particular interest given the tendency of structure-function correlation to lag behind synthesis methodology (making the latter a hit or miss proposition for applications). This gap remains significant for FlexMOF systems whose gate opening behaviors complicate computational examination. The computational methodologies are relatively inexpensive in terms of both money and computational resources enhancing the general viability of these methodologies. The ultimate gain to the public will be in the application of these techniques to design systems for natural gas storage and use to cut down on green-house emissions.

03 NATURAL GAS↗

DOE OSTI2024

Imaging the Wake of a Jet with Energy Correlators

In heavy ion collisions, jets are formed during the initial hard scattering event and move through the quark-gluon plasma (QGP) as it evolves. The evolution of the medium manifests itself on the jet via various jet-medium interactions, modifying its substructure as compared to vacuum QCD. Recently, the energy correlator observable has been shown to be a powerful method to decode correlations in pp collisions through measurements in ALICE, CMS and STAR. Additionally, recent studies have shown the sensitivity of this observable to medium modification due to the QGP. In this work [1], we perform the first study of the three-point energy correlator for medium modified jets, to show how it can be used to map out the shape of medium induced modifications. We illustrate this for the specific case of the Hybrid Model, where we show how higher-point correlation functions can image the wake of a jet.

Rai, Ananya [Yale University, New Haven, CT (Unite↗

DOE OSTI2025

Unraveling nonperturbative QCD with transverse momentum hadronic structures

The main purpose of this thesis is to investigate the theoretical foundations of the factorization theorems that involve transverse quark and gluon momentum distributions, and to better understand the interface between foundational questions and phenomenological applications. Many of these applications involve using transverse parton momentum dependent (TMD) correlation functions as tools for probing the complex nonperturbative structures of the hadrons. We first introduce the concepts of collinear and TMD factorization in a toy-model theory and, by leveraging the comparative simplicity of such a model, we test the range of validity and limitations of the factorization approach. At the same time, we introduce the conventional approaches that are adopted for the phenomenological extractions of the TMD distributions, and catalog the advantages and disadvantages. Following the general theoretical framework of factorization, we then develop a different approach to TMD phenomenology that is able to systematically integrate the perturbative and non perturbative information in parametrizations of TMD distributions, while being completely consistent with their operator definitions and the predictions of QCD, including their nontrivial evolution. The name Hadron Structure Oriented approach, or HSO, is coined in order to emphasize the central role of the nonperturbative nature of QCD and its relation to the partonic structure of hadrons. Finally, we provide a first phenomenological implementation of the HSO approach by extracting TMD distributions relying on low-to-moderate energy Drell-Yan data. The quality and robustness of the results are then compared against higher energy processes like high-Q2 Z0 boson production. Our analysis demonstrates the feasibility of this novel approach and points the way toward the improvements it can achieve in future applications.

Rainaldi, Tommaso [Old Dominion Univ., Norfolk, VA↗

DOE OSTI2025

Galaxy Clustering with LSST: Effects of Number Count Bias from Blending

The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) will survey the southern sky to create the largest galaxy catalog to date, and its statistical power demands an improved understanding of systematic effects such as source overlaps, also known as blending. In this work we study how blending introduces a bias in the number counts of galaxies (instead of the flux and colors), and how it propagates into galaxy clustering statistics. We use the 300 deg 2 DC2 image simulation and its resulting galaxy catalog (LSST Dark Energy Science Collaboration et al. 2021) to carry out this study. We find that, for a LSST Year 1 (Y1)-like cosmological analyses, the number count bias due to blending leads to small but statistically significant differences in mean redshift measurements when comparing an observed sample to an unblended calibration sample. In the two-point correlation function, blending causes differences greater than 3σ on scales below approximately 10', but large scales are unaffected. We fit Ω m and linear galaxy bias in a Bayesian cosmological analysis and find that the recovered parameters from this limited area sample, with the LSST Y1 scale cuts, are largely unaffected by blending. Our main results hold when considering photometric redshift and a LSST Year 5 (Y5)-like sample.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Unraveling the Determinant Mechanisms in Flow-Mediated Crystal Growth and Phase Behaviors

To uncover the critical mechanisms responsible for mesoscopic level development during flow-mediated crystal growth, we develop a semi-two-way hydrodynamic coupled structural phase-field crystal formalism (HXPFC-s2). The new formalism, inspired by previous attempts at coupling hydrodynamic and phase-field crystal (PFC) equations, allows for studying mesoscopic flow-mediated crystallization at diffusive timescales pertinent to industrial applications. Unlike previous efforts, the devised coupling to the structural PFC (XPFC) equations allows generalization to more complex crystal structures through explicit parameterization of the direct correlation function (DCF). Utilizing the HXPFC-s2 formalism, we seek to uncover the determinant physical mechanisms in crystallization under simple shear flows by comparing temperature-driven crystallization to flow-mediated crystallization under varying flow-strengths. Parallels and deviations of under-cooling and flow-strength effects on crystal growth are drawn using the crystal cluster-size and system ordering time evolutions. In doing so, we identify scaling behaviors with a Peclet-like number, Pe∼, a critical Peclet-like number, Pe∼*, and flow-field-crystal plane-dependent interactions. Our findings may be relevant for controlling crystal growth and phase behaviors in flow applications.

Willis, L. Connor (ORCID:0009000961321848)↗

DOE OSTI2024

Correcting Turbulence-induced Errors in Fiber Positioning for the Dark Energy Spectroscopic Instrument

Highly multiplexed, robotic, fiber-fed spectroscopic surveys are observing tens of millions of stars and galaxies. For many systems, accurate positioning relies on imaging the fibers in the focal plane and feeding that information back to the robotic positioners to correct their positions. Inhomogeneities and turbulence in the air between the focal plane and the imaging camera can affect the measured positions of fibers, limiting the accuracy with which fibers can be placed on targets. For the Dark Energy Spectroscopic Instrument, we dramatically reduced the effect of turbulence on measurements of positioner locations in the focal plane by taking advantage of stationary positioners and the correlation function of the turbulence. We were able to reduce positioning errors from 7.3 to 3.5 μm, speeding the survey by 1.6% under typical conditions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

DESI Emission-line Galaxies: Clustering Dependence on Stellar Mass and [O II] Luminosity

We measure the projected two-point correlation functions of emission-line galaxies (ELGs) from the Dark Energy Spectroscopic Instrument One-Percent Survey and model their dependence on stellar mass and [O II] luminosity. We select ∼180,000 ELGs with redshifts of 0.8 < z < 1.6, and define 27 samples according to cuts in redshift and both galaxy properties. Following a framework that describes the conditional [O II] luminosity–stellar mass distribution as a function of halo mass, we simultaneously model the clustering measurements of all samples at fixed redshift. Based on the modeling result, most ELGs in our samples are classified as central galaxies, residing in halos of a narrow mass range with a typical median of ∼10 12.2−12.4 h −1 M ⊙ . We observe a weak dependence of clustering amplitude on stellar mass, which is reflected in the model constraints and is likely a consequence of the 0.5 dex measurement uncertainty in the stellar mass estimates. The model shows a trend between galaxy bias and [O II] luminosity at high redshift (1.2 < z < 1.6) that is otherwise absent at lower redshifts.

Cosmology↗

DOE OSTI2026

A Nonparametric Method for the Inference of Halo Occupation Distributions

The galaxy–halo connection traces processes by which galaxies form and evolve. The halo occupation distribution (HOD) describes the relationship between galaxies and their host dark matter haloes. Measurements of the galaxy two-point correlation function (2PCF) allow us to extract information about the HODs of observed galaxy samples. Several parametric HOD models have been proposed in the literature, but the choice of parameterization restricts the space of possible HODs. To resolve this issue, we introduce a nonparametric HOD fitting method in which we train an emulator to learn the mappings among the galaxy 2PCF, physical properties used to select galaxy samples, and the HOD, all obtained from simulated past light cones constructed with the Santa Cruz semianalytic model. Implementing this emulator within a likelihood analysis framework, we derive constraints on the HOD of a galaxy sample when provided with a measurement of its 2PCF. Using the emulator to accelerate likelihood evaluations, we test the nonparametric HOD approach on a set of 2PCFs for mock galaxy samples drawn from the TNG100-1 simulation and selected above threshold values of stellar mass and star formation rate. Our framework is able to recover TNG100-1 HODs within 0.2 dex. We use the TNG100-1 mocks to tune the reported uncertainties to estimate those expected in the analysis of observations. Comparing to parametric HOD modelling routines applied to the same mock galaxy samples, our approach consistently infers the HOD with comparable or greater precision and accuracy.

Kennedy, Jacob [Rutgers Univ., Piscataway, NJ (Uni↗

DOE OSTI2026

Dimensional Reduction for Sampled Priors and Application to Photometric Redshift Distributions

A typical Bayesian inference on the values of some parameters of interest q from some data D involves running a Markov Chain (MC) to sample from the posterior $p$($q$,$n$|$D$) $\propto$ $\mathcal{L}$($D$|$q$,$n$)$p$(q)$p$($n$), where n are some nuisance parameters with a separable prior. In some cases, the nuisance parameters are high-dimensional, and their prior p(n) is itself defined only by a set of samples that have been drawn from some other MC. The MC for the posterior will typically require evaluation of p(n) at arbitrary values of n, i.e., one needs to provide a density estimator over the full n space from the provided samples. But the high dimensionality of n hinders both the density estimation and the efficiency of the MC for the posterior. We describe a solution to this problem: a linear compression of the n space into a much lower-dimensional space u, which projects away directions in n space that cannot appreciably alter $\mathcal{L}$. The algorithm for doing so is a slight modification to principal components analysis, and is less restrictive on p(n) than other proposed solutions to this issue. We demonstrate this “mode projection” technique using the analysis of 2-point correlation functions of weak lensing fields and galaxy density in the Dark Energy Survey, where n is a binned representation of the redshift distribution n(z) of the galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Di-nucleons do not form bound states at heavy pion mass

We perform a high-statistics lattice QCD calculation of the low-energy two-nucleon scattering amplitudes. In order to address discrepancies in the literature, the calculation is performed at a heavy pion mass in the limit that the light quark masses are equal to the physical strange quark mass, $m_π= m_K \simeq 714 $ MeV. Using a state-of-the-art momentum space method, we rule out the presence of a bound di-nucleon in both the isospin 0 (deuteron) and 1 (di-neutron) channels, in contrast with many previous results that made use of compact hexaquark creation operators. In order to diagnose the discrepancy, we add such hexaquark interpolating operators to our basis and find that they do not affect the determination of the two-nucleon finite volume spectrum, and thus they do not couple to deeply bound di-nucleons that are missed by the momentum-space operators. Further, we perform a high-statistics calculation of the HAL QCD potential on the same gauge ensembles and find qualitative agreement with our main results. We conclude that two-nucleons do not form bound states at heavy pion masses and that previous identification of deeply bound di-nucleons must have arisen from a misidentification of the spectrum from off-diagonal elements of a correlation function.

FOS: Physical sciences↗

DOE OSTI2025

The algebraic structure of gravitational scrambling

We introduce a new algebraic framework to describe gravitational scrambling, including the semiclassical limit of any out-of-time-order correlation function that is built out of operator insertions separated by approximately the scrambling time. In two dimensions, the scrambling algebra, which we call a modular-twisted product, is defined in terms of two copies of the Leutheusser-Liu half-sided modular inclusion of von Neumann algebras; these describe early- and late-time operators respectively. In limits where the separation between insertions is taken to be either significantly greater or smaller than the scrambling time, the modular-twisted product reduces, respectively, to free- and tensor-product algebras that were previously studied in [arXiv:2209.10454]. In a sense, the modular-twisted product interpolates between these two products. Including the Hamiltonian in the scrambling algebra leads to a Type II$_\infty$ von Neumann algebra with finite renormalized entropies that interpolate between single-QES and multi-QES phases. We also describe how to generalize the modular-twisted product algebra to higher dimensions, including spatially localized boundary excitations.

FOS: Physical sciences↗

DOE OSTI2025

Detection of supernova magnitude fluctuations induced by large-scale structure

The peculiar velocities of supernovae and their host galaxies are correlated with the large-scale structure of the Universe, and can be used to constrain the growth rate of structure and test the cosmological model. In this work, we measure the correlation statistics of the large-scale structure traced by the Dark Energy Spectroscopic Instrument Bright Galaxy Survey Data Release 1 sample, and magnitude fluctuations of type Ia supernova from the Pantheon+ compilation across redshifts z < 0.1. We find a detection of the cross-correlation signal between galaxies and type Ia supernova magnitudes. Fitting the normalised growth rate of structure f sigma_8 to the auto- and cross-correlation function measurements we find f sigma_8 = 0.384 +0.094 -0.157, which is consistent with the Planck LambdaCDM model prediction, and indicates that the supernova magnitude fluctuations are induced by peculiar velocities. Using a large ensemble of N-body simulations, we validate our methodology, calibrate the covariance of the measurements, and demonstrate that our results are insensitive to supernova selection effects. We highlight the potential of this methodology for measuring the growth rate of structure, and forecast that the next generation of type Ia supernova surveys will improve f sigma_8 constraints by a further order of magnitude.

Nguyen, A. [Swinburne U., Ctr. Astrophys. Supercom↗

DOE OSTI2025

Ambient field seismology in critical zone hydrological sciences

Passive ambient noise monitoring is an emerging tool in environmental seismology, leveraging the ambient seismic field to assess temporal variations in shallow subsurface properties. This review focuses on the potential and challenges of using scattered coda waves from noise correlation functions to monitor critical zone dynamics. The sensitivity of seismic velocities to various environmental factors, including precipitation, snowmelt, atmospheric pressure, and groundwater fluctuations, underscores the method’s versatility. While coda waves excel in detecting subtle changes due to their scattered nature, ballistic waves provide higher spatial resolution, albeit with challenges in source stability. Advances in seismic sensing, including distributed acoustic sensing and low-cost geophone networks, have enabled high-resolution monitoring of hydrological processes, subsurface deformation, and seismic hazards. Integrating seismic data with hydrological models provides insights into water storage, pore pressure changes, and soil moisture dynamics. However, limitations in spatial resolution, calibration with ground truth data, and coupled effects between environmental factors remain key challenges. This review emphasizes the importance of interdisciplinary approaches in refining methodologies, enhancing sensor deployments, and addressing data gaps. Passive seismic monitoring offers opportunities to understand critical zone processes and their broader impacts on seismic hazards and environmental sustainability.

58 GEOSCIENCES↗

DOE OSTI2025

DESI DR1 Ly$α$ forest: 3D full-shape analysis and cosmological constraints

We perform an analysis of the full shapes of Lyman-$α$ (Ly$α$) forest correlation functions measured from the first data release (DR1) of the Dark Energy Spectroscopic Instrument (DESI). Our analysis focuses on measuring the Alcock-Paczynski (AP) effect and the cosmic growth rate times the amplitude of matter fluctuations in spheres of $8$$h^{-1}\text{Mpc}$, $fσ_8$. We validate our measurements using two different sets of mocks, a series of data splits, and a large set of analysis variations, which were first performed blinded. Our analysis constrains the ratio $D_M/D_H(z_\mathrm{eff})=4.525\pm0.071$, where $D_H=c/H(z)$ is the Hubble distance, $D_M$ is the transverse comoving distance, and the effective redshift is $z_\mathrm{eff}=2.33$. This is a factor of $2.4$ tighter than the Baryon Acoustic Oscillation (BAO) constraint from the same data. When combining with Ly$α$ BAO constraints from DESI DR2, we obtain the ratios $D_H(z_\mathrm{eff})/r_d=8.646\pm0.077$ and $D_M(z_\mathrm{eff})/r_d=38.90\pm0.38$, where $r_d$ is the sound horizon at the drag epoch. We also measure $fσ_8(z_\mathrm{eff}) = 0.37\; ^{+0.055}_{-0.065} \,(\mathrm{stat})\, \pm 0.033 \,(\mathrm{sys})$, but we do not use it for cosmological inference due to difficulties in its validation with mocks. In $Λ$CDM, our measurements are consistent with both cosmic microwave background (CMB) and galaxy clustering constraints. Using a nucleosynthesis prior but no CMB anisotropy information, we measure the Hubble constant to be $H_0 = 68.3\pm 1.6\;\,{\rm km\,s^{-1}\,Mpc^{-1}}$ within $Λ$CDM. Finally, we show that Ly$α$ forest AP measurements can help improve constraints on the dark energy equation of state, and are expected to play an important role in upcoming DESI analyses.