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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cosmological perturbation theory for large scale structure in phase space

We develop a framework for Large Scale Structure (LSS) perturbation theory, that solves the Vlasov-Poisson system of equations for the distribution function in full phase space. This approach relaxes the usual apriori assumption of negligible velocity dispersion underlying the Standard Perturbation Theory (SPT). We apply the new method to rederive the usual SPT kernels up to third order in the perturbative expansion. We also show that a counterterm, identical to the one introduced by standard Effective Field Theory (EFT) methods, naturally arises within our framework. We finish by making a precise connection to EFT techniques, which reveals the necessity of the EFTofLSS to self-consistently model the long-wavelength fluid, and illustrates the importance of having theoretical control over short distance fluctuations.

Cosmological perturbation theory in GR and beyond↗
DOE OSTI2025

Post-inflationary enhancement of adiabatic perturbations in modular cosmology

We show that multi-field inflationary models with negligible turning in field space during inflation can lead to an effective sourcing of adiabatic from entropic perturbations afterthe end of inflation. We illustrate this general phenomenon with a detailed analysis of an inflationary model whose scalar potential is determined by modular invariance. Its entropic perturbations are frozen during inflation, but instead, they are converted into adiabatic perturbations in the first post-inflationary e-folds. The curvature power spectrum, giving rise to CMB fluctuations, reaches a novel and enhanced plateau in this process; we address the implications for the inflationary observables As , n s and r.

cosmological perturbation theory↗
DOE OSTI2026

Modeling of injected current stream-induced 3D perturbations in local helicity injection plasmas

Solenoid-free tokamak startup techniques are essential for spherical tokamaks and offer a pathway to cost reduction and design simplification in fusion energy systems. Local helicity injection (LHI) is one such approach, employing compact edge current sources to drive open field line current that initiates and sustains tokamak plasmas. The recently commissioned Pegasus-III Experiment provides a platform for advancing this and other solenoid-free startup methods. This study investigates the effect of LHI on magnetic topology in Pegasus-III plasmas. A helical filament model represents the injected current, and the linear plasma response to its three-dimensional field is calculated with M3D-C1. Poincaré mapping reveals substantial flux surface degradation in all modeled cases. The onset of overlapping magnetic structures and large-scale surface deformation begins near Ψ N ≈ 0.37, indicating a broad region of perturbed topology extending toward the edge. In rotating plasmas, both single-fluid and two-fluid models exhibit partial screening of the n = 1 perturbation, with two-fluid calculations showing stronger suppression near the edge. In contrast, the absence of rotation leads to strong resonant field amplification in the single-fluid case, while the two-fluid case with zero electron rotation mitigates this amplification and preserves edge screening. Magnetic probe measurements indicate that modeling the stream with spatial spreading—representing distributed current and/or oscillatory motion—better reproduces measured magnetic power profiles than a rigid filament model. The results underscore the role of rotation and two-fluid physics in screening stream perturbations and point to plasma flow measurements and refined stream models as key steps toward improving predictive fidelity.

Schaefer, Carolyn E. [Univ. of Wisconsin, Madison,↗
DOE OSTI2024

Eliater: a Python package for estimating outcomes of perturbations in biomolecular networks

We introduce Eliater, a Python package for estimating the effect of perturbation of an upstream molecule on a downstream molecule in a biomolecular network. The estimation takes as input a biomolecular network, observational biomolecular data, and a perturbation of interest, and outputs an estimated quantitative effect of the perturbation. We showcase the functionalities of Eliater in a case study of Escherichia coli transcriptional regulatory network.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Proper time observables of general gravitational perturbations in laser interferometry-based gravitational wave detectors

We present an explicitly gauge-invariant observable of any general gravitational perturbation, ℎ 𝜇⁢𝜈 [not necessarily due to gravitational waves (GWs)], in a laser interferometry-based GW detector, identifying the signature as the proper time elapsed of the beamsplitter observer, between two events: when a photon passes through the beamsplitter, and when the same photon returns to the beamsplitter after traveling through the interferometer arm and reflecting off the far mirror. Our formalism applies to simple Michelson interferometers and can be generalized to more advanced setups. We demonstrate that the proper time observable for a plane GW is equivalent to the detector strain commonly used by the GW community, though now the common framework can be easily generalized for other types of signals, such as dark matter clumps or spacetime fluctuations from quantum gravity. We provide a simple recipe for computing the proper time observable for a general metric perturbation in linearized gravity and explicitly show that it is invariant under diffeomorphisms of the perturbation, as any physical observable should be.

Dark matter detectors↗
DOE OSTI2025

Low-Density Parity-Check Stabilizer Codes as Gapped Quantum Phases: Stability under Graph-Local Perturbations

We generalize the proof of stability of topological order, due to Bravyi, Hastings, and Michalakis, to stabilizer Hamiltonians corresponding to low-density parity-check (LDPC) codes without the restriction of geometric locality in Euclidean space. We consider Hamiltonians 𝐻 0 defined by ⟦𝑁,𝐾,𝑑⟧ LDPC codes, which obey certain topological quantum order conditions: (i) code distance 𝑑 ≥ 𝑐⁢log (𝑁), implying local indistinguishability of ground states, and (ii) a mild condition on local and global compatibility of ground states—these include good quantum LDPC codes and the toric code on a hyperbolic lattice, among others. We consider stability under weak perturbations that are quasilocal on the interaction graph defined by 𝐻 0 and that can be represented as sums of bounded-norm terms. As long as the local perturbation strength is smaller than a finite constant, we show that the perturbed Hamiltonian has well-defined spectral bands originating from the 𝑂⁡(1) smallest eigenvalues of 𝐻 0 . The band originating from the smallest eigenvalue has 2 𝐾 states, is separated from the rest of the spectrum by a finite energy gap, and has exponentially narrow bandwidth 𝛿 =𝐶⁢𝑁⁢𝑒 −Θ⁡(𝑑) , which is tighter than the best-known bounds even in the Euclidean case. We also obtain that the new ground-state subspace is related to the initial-code subspace by a quasilocal unitary, allowing one to relate their physical properties. Our proof uses an iterative procedure that performs successive rotations to eliminate non-frustration-free terms in the Hamiltonian. Our results extend to quantum Hamiltonians built from classical LDPC codes, which give rise to stable symmetry-breaking phases. These results show that LDPC codes very generally define stable gapped quantum phases, even in the non-Euclidean setting, initiating a systematic study of such phases of matter.

mathematical physics↗
DOE OSTI2024

Equation of state at neutron-star densities and beyond from perturbative QCD

We explore the consequences of imposing robust thermodynamic constraints arising from perturbative quantum chromodynamics (QCD) when inferring the dense-matter equation-of-state (EOS). We find that the termination density, up to which the EOS modeling is performed in an inference setup, strongly affects the constraining power of the QCD input. This sensitivity in the constraining power arises from EOSs that have a specific form, with drastic softening immediately above the termination density followed by a strong stiffening. Here we also perform explicit modeling of the EOS down from perturbative-QCD densities to construct a new QCD likelihood function that incorporates additional perturbative-QCD calculations of the sound speed and is insensitive to the termination density, which we make publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

QCD Running Coupling in the Nonperturbative and Near-Perturbative Regimes

We use analytic continuation to extend the gauge-gravity duality nonperturbative description of the strong force coupling into the transition, near-perturbative, regime where perturbative effects become important. By excluding the unphysical region in coupling space from the flow of singularities in the complex plane, we derive a specific relation between the scales relevant at large and short distances; this relation is uniquely fixed by requiring maximal analyticity. The unified effective coupling model gives an accurate description of the data in the nonperturbative and the near-perturbative regions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Perturbative Stability and Error-Correction Thresholds of Quantum Codes

Topologically ordered phases are stable to local perturbations, and topological quantum error-correcting codes enjoy thresholds to local errors. We connect the two notions of stability by constructing classical statistical mechanics models for decoding general Calderbank-Shor-Steane codes and classical linear codes. Our construction encodes correction success probabilities under uncorrelated bit-flip and phase-flip errors, and simultaneously describes a generalized ℤ 2 lattice-gauge theory with quenched disorder. We observe that the clean limit of the latter is precisely the discretized imaginary-time path integral of the corresponding quantum code Hamiltonian when the errors are turned into a perturbative 𝑋 or 𝑍 magnetic field. Motivated by error-correction considerations, we define general order parameters for all such generalized ℤ 2 lattice-gauge theories, and show that they are generally lower bounded by success probabilities of error correction. For CSS codes satisfying the low-density parity-check condition and with a sufficiently large code distance, we prove the existence of a low-temperature ordered phase of the corresponding lattice-gauge theories, particularly for those lacking Euclidean spatial locality and/or when there is a nonzero code rate. We further argue that these results provide evidence for stable phases in the corresponding perturbed quantum Hamiltonians, obtained in the limit of continuous imaginary time. To do so, we distinguish space- and timelike defects in the lattice-gauge theory. A high free-energy cost of spacelike defects corresponds to a successful “memory experiment” and suppresses the energy splitting among the ground states, while a high free-energy cost of timelike defects corresponds to a successful “stability experiment” and points to a nonzero gap to local excitations.

quantum error correction↗
DOE OSTI2026

Learned adaptive properties for mitigation of weight perturbations in embedded spiking networks

Recent years have seen an increased importance of neural network inference in edge-based scenarios, which impose size and power constraints requiring novel computing devices. These same edge scenarios may require operating over long periods of time, or exposure to extreme environments, resulting in a drift of neural network weights that cause degraded performance. In searching for ways to develop neural network approaches that perform robustly under these conditions, we propose a biologically-inspired mechanism for the dynamic adaptation of within-neuron parameters that is guided by a global context signal carrying information about perturbations and variability in incoming stimuli. Specifically, we demonstrate that adaptive voltage thresholds or neuronal time constants, when informed by a global context signal, can enable network-level mechanisms to recover from perturbed synaptic weights. Consistent with prior literature, the context-modulated approach is effective for recurrent, but not feedforward networks, by modulating network level dynamics. We demonstrate this approach successfully recovers performance in image classification tasks and spatiotemporal tracking tasks under idealized and Gaussian noise as well as for realistic perturbations from a memristive device when exposed to ionizing radiation. Finally, we discuss how this approach enables the design of robust and energy-efficient neuromorphic systems that perform well, even in resource-constrained scenarios with extreme environments such as edge processing.

context modulation↗
DOE OSTI2025

The GD-1 Stellar Stream Perturber as a Core-collapsed Self-interacting Dark Matter Halo

The GD-1 stellar stream exhibits spur and gap structures that may result from a close encounter with a dense substructure. When interpreted as a dark matter subhalo, the perturber is denser than predicted in the standard cold dark matter (CDM) model. In self-interacting dark matter (SIDM), however, a halo could evolve into a phase of gravothermal collapse, resulting in a higher central density than its CDM counterpart. We conduct high-resolution controlled N-body simulations to show that a collapsed SIDM halo could account for the GD-1 perturber's high density. We model a progenitor halo with a mass of 3 × 10 8 M ⊙ , motivated by a cosmological simulation of a Milky Way analog, and evolve it in the Milky Way's tidal field. For a cross section per mass of σ/m ≈ 30–100 cm 2 g −1 at ${V}_{{\rm{\max }}}\unicode{x0007E}10\,{\rm{km}}\,{{\rm{s}}}^{-1}$, the enclosed mass of the SIDM halo within the inner 10 pc can be increased by more than 1 order of magnitude compared to its CDM counterpart, leading to a good agreement with the properties of the GD-1 perturber. Our findings indicate that stellar streams provide a novel probe into the self-interacting nature of dark matter.

dark matter↗
DOE OSTI2024

Cloud water adjustments to aerosol perturbations are buffered by solar heating in non-precipitating marine stratocumuli

Abstract. Marine low-level clouds are key to the Earth's energy budget due to their expansive coverage over global oceans and their high reflectance of incoming solar radiation. Their responses to anthropogenic aerosol perturbations remain the largest source of uncertainty in estimating the anthropogenic radiative forcing of climate. A major challenge is the quantification of the cloud water response to aerosol perturbations. In particular, the presence of feedbacks through microphysical, dynamical, and thermodynamical pathways at various spatial and temporal scales could augment or weaken the response. Central to this problem is the temporal evolution in cloud adjustment, governed by entangled feedback mechanisms. We apply an innovative conditional Monte Carlo subsampling approach to a large ensemble of diurnal large-eddy simulation of non-precipitating marine stratocumulus to study the role of solar heating in governing the evolution in the relationship between droplet number and cloud water. We find a persistent negative trend in this relationship at night, confirming that the role of microphysically enhanced cloud-top entrainment. After sunrise, the evolution in this relationship appears buffered and converges to ∼-0.2 in the late afternoon. This buffering effect is attributed to a strong dependence of cloud-layer shortwave absorption on cloud liquid water path. These diurnal cycle characteristics further demonstrate a tight connection between cloud brightening potential and the relationship between cloud water and droplet number at sunrise, which has implications for the impact of the timing of advertent aerosol perturbations.

Zhang, Jianhao (ORCID:0000000169882935)↗
DOE OSTI2026

E3SMv3 ‘Nephele’ Perturbed Parameter Ensemble Value-Added Product for ENA, SGP, NSA, and Global Means

Processed output from the E3SMv3 Nephele perturbed parameter ensemble (PPE). This product contains global means of present-day (using 2010 aerosol forcings) and preindustrial (using 1850 aerosol forcings) monthly and daily global-mean quantities, as well as hourly mean quantities at the E3SMv3 model grid cell closest to the ENA, SGP, and NSA ARM sites. In this PPE, the E3SMv3 model was run for 27 months in an atmosphere-only configuration with free tropospheric winds nudged to reanalysis. Each ensemble member represents a unique combination of 25 model parameter values (in the microphysics, convective microphysics, and aerosol schemes) that were perturbed randomly and simultaneously. The E3SMv3 default configuration is included as member 0. See https://doi.org/10.22541/essoar.174907165.57104591/v1 (in review) for more information on the Nephele PPE and the perturbed parameters.

Model atmospheric temperature↗
DOE OSTI2025

Automated Direct Perturbation Calculations with SCALE TSUNAMI [Abstract]

In nuclear criticality safety analysis, the sensitivity of the eigenvalue keff to uncertainties in nuclear data and its evaluation are crucial. The TSUNAMI sequences within the SCALE code system offer users various options with both multigroup (MG) and continuous-energy (CE) 3D Monte Carlo (MC) transport capabilities for calculating keff sensitivity coefficients and storing them in a sensitivity data file (SDF). Each methodology available in TSUNAMI offers distinct advantages and limitations, and its effectiveness can vary based on the specific problem being solved. As a best practice, practitioners typically use the direct perturbation (DP) method as a confirmatory step alongside their sensitivity calculations to verify the accuracy of the sensitivity data generated. In this process, DP calculations are usually performed on select nuclides, those considered most important for validating their total sensitivities. However, because of code limitations, analysts use a workaround method when conducting DP calculations for a single nuclide: rather than perturbing the nuclide's microscopic cross section, an equivalent number density for this nuclide is calculated to reflect the effect of a change in the macroscopic cross section due to a perturbation in the microscopic cross section. The current approach requires rerunning the CSAS criticality calculation several times with model changes. Although this method can yield results with acceptable accuracy, it is labor-intensive and prone to errors.

AZURE: SAMMY↗
DOE OSTI2025

Repartitioning the Hamiltonian in many-body second-order Brillouin–Wigner perturbation theory: Uncovering new size-consistent models

Second-order Møller-Plesset perturbation theory is well-known as a computationally inexpensive approach to the electron correlation problem that is size-consistent with a size-consistent reference but fails to be regular. On the other hand, the less well-known many-body version of Brillouin-Wigner perturbation theory has the reverse properties: it is regular but fails to be size-consistent when used with the standard MP partitioning. Consequently, its widespread use remains limited. In this work, we analyze the ways in which it is possible to use alternative non-MP partitions of the Hamiltonian to yield variants of BW2 that are size-consistent as well as regular. We show that there is a vast space of such BW2 theories and also show that it is possible to define a repartitioned BW2 theory from the ground state density alone, which regenerates the exact correlation energy. We also provide a general recipe for deriving regular, size-consistent, and size-extensive partitions from physically meaningful components, and we apply the result to small model systems. The scope of these results appears to further set the stage for a revival of BW2 in quantum chemistry.

Ab initio perturbation↗
DOE OSTI2024

A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing

A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory, with coupled cluster (CC) theory being the leading framework for dealing with this problem. Augmenting computationally affordable low-rank approximations in CC theory with a perturbative account of higher-rank excitations is a tractable and effective way of accounting for the missing electron correlation in those approximations. This is perhaps best exemplified by the “gold standard” CCSD(T) method, which bolsters the baseline CCSD with the effects of triple excitations using considerations from many-body perturbation theory (MBPT). Despite this established success, such a synergy between MBPT and the unitary analog of CC theory (UCC) has not been explored. In this work, we propose a similar approach wherein converged UCCSD amplitudes are leveraged to evaluate energy corrections associated with triple excitations, leading to the UCCSD[T] method. In terms of quantum computing, this correction represents an entirely classical post-processing step that improves the energy estimate by accounting for triple excitation effects without necessitating new quantum algorithm developments or increasing demand for quantum resources. The rationale behind this choice is shown to be rigorous by studying the properties of finite-order UCC energy functionals, and our efforts do not support the addition of the fifth-order contributions as in the (T) correction. We assess the performance of these approaches on a collection of small molecules and demonstrate the benefits of harnessing the inherent synergy between MBPT and UCC theories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Many-body perturbation theory with hybrid density functional theory starting points accelerated by adaptively compressed exchange

We report on the use of the adaptively compressed exchange (ACE) operator to accelerate many-body perturbation theory (MBPT) calculations, including G 0 W 0 and the Bethe–Salpeter equation (BSE), for hybrid density functional theory starting points. We show that by approximating the exact exchange operator with the low-rank ACE operator, substantial computational savings can be achieved with systematically controllable errors in the quasiparticle energies computed with full-frequency G 0 W 0 and the optical absorption spectra and vertical excitation energies computed by solving the BSE within density matrix perturbation theory. Our implementation makes use of the ACE-accelerated electronic Hamiltonian to carry out both G 0 W 0 and BSE without explicitly computing empty states. We show the robustness of the approach and present the computational gains obtained on both the central processing unit and graphics processing unit nodes. In conclusion, our work will facilitate the exploration and evaluation of fine-tuned hybrid starting points aimed at enhancing the accuracy of MBPT calculations without involving computationally demanding self-consistency in Hedin’s equations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

From chiral effective field theory to perturbative QCD: A Bayesian model mixing approach to symmetric nuclear matter

Constraining the equation of state (EOS) of strongly interacting, dense matter is the focus of intense experimental, observational, and theoretical effort. Chiral effective field theory (𝜒⁢EFT ) can describe the EOS between the typical densities of nuclei and those in the outer cores of neutron stars, while perturbative QCD (pQCD) can be applied to properties of deconfined quark matter, both with quantified theoretical uncertainties. However, describing the full range of densities in between with a single EOS that has well-quantified uncertainties is a challenging problem. Bayesian multimodel inference from 𝜒⁢EFT and pQCD can help bridge the gap between the two theories. In this work, we introduce a correlated Bayesian model mixing framework that uses a Gaussian process (GP) to assimilate different information into a single QCD EOS for symmetric nuclear matter. The present implementation uses a stationary GP to infer this mixed EOS solely from the EOSs of 𝜒⁢EFT and pQCD while accounting for the truncation errors of each theory. The GP is trained on the pressure as a function of number density in the low- and high-density regions where 𝜒⁢EFT and pQCD are, respectively, valid. We impose priors on the GP kernel hyperparameters to suppress unphysical correlations between these regimes. This, together with the assumption of stationarity, results in smooth 𝜒⁢EFT-to-pQCD curves for both the pressure and the speed of sound. We show that using uncorrelated mixing requires uncontrolled extrapolation of at least one of 𝜒⁢EFT or pQCD into regions where the perturbative series breaks down and leads to an acausal EOS. Here, we also discuss extensions of this framework to nonstationary and less differentiable GP kernels, its future application to neutron-star matter, and the incorporation of additional constraints from nuclear theory, experiment, and multimessenger astronomy.

Bayesian methods↗