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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

ML-PSA

The computer code uses a parallel simulated annealing framework with embedded machine learning components to solve multi-constrained optimization problems. The software automatically balances the execution of low and high fidelity physics models within the optimization procedure. The low fidelity model is used to rapidly explore the design space while the high fidelity physics model is executed sparingly to account for complex design constraints that are not resolved by the quickly executing low fidelity model.

Gurecky, William↗
DOE OSTI2025

Measurement of the production cross section of prompt $\Xi ^0_{\textrm{c}}$ baryons in p–Pb collisions at $\sqrt{s_{{\textrm{NN}}}}=5.02$ TeV

The transverse momentum (p T ) differential production cross section of the promptly produced charm-strange baryon $\Xi ^0_{\textrm{c}}$ (and its charge conjugate $\Xi ^0_{\textrm{c}}$) is measured at midrapidity via its hadronic decay into π + $\Xi$ – in p–Pb collisions at a centre-of-mass energy per nucleon–nucleon collision $\sqrt{s_{{\textrm{NN}}}}=5.02$ TeV with the ALICE detector at the LHC. The $\Xi ^0_{\textrm{c}}$ nuclear modification factor (R pPb ), calculated from the cross sections in pp and p–Pb collisions, is presented and compared with the R pPb of Λ$^{+}_{c}$ baryons. The ratios between the p T -differential production cross section of $\Xi ^0_{\textrm{c}}$ baryons and those of D 0 mesons and Λ$^{+}_{c}$ baryons are also reported and compared with results at forward and backward rapidity from the LHCb Collaboration. The measurements of the production cross section of prompt $\Xi ^0_{\textrm{c}}$ baryons are compared with a model based on perturbative QCD calculations of charm-quark production cross sections, which includes only cold nuclear matter effects in p–Pb collisions, and underestimates the measurement by a factor of about 50. This discrepancy is reduced when the data is compared with a model that includes string formation beyond leading-colour approximation or in which hadronisation is implemented via quark coalescence. The p T -integrated cross section of prompt $\Xi ^0_{\textrm{c}}$-baryon production at midrapidity extrapolated down to p T = 0 is also reported. These measurements offer insights and constraints for theoretical calculations of the hadronisation process. Additionally, they provide inputs for the calculation of the charm production cross section in p–Pb collisions at midrapidity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Lattice QCD calculation of the pion distribution amplitude with domain wall fermions at physical pion mass

We present a direct lattice QCD calculation of the x-dependence of the pion distribution amplitude (DA), which is performed using the quasi-DA in large momentum effective theory on a domain-wall fermion ensemble at physical quark masses and spacing a ≈ 0.084 fm. The bare quais-DA matrix elements are renormalized in the hybrid scheme and matched to $\overline{MS}$ with a subtraction of the leading renormalon in the Wilson-line mass. For the first time, we include threshold resummation in the perturbative matching onto the light-cone DA, which resums the large logarithms in the soft gluon limit at next-to-next-to-leading log. The resummed results show controlled scale-variation uncertainty within the range of momentum fraction x ϵ [0.25, 0.75] at the largest pion momentum P z ≈ 1.85 GeV. In addition, we apply the same analysis to quasi-DAs from a highly-improved-staggered-quark ensemble at physical pion mass and a = 0.076 fm. By comparison we find with 2σ confidence level that the DA obtained from chiral fermions is flatter and lower near x = 0.5.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Transversity PDFs of the proton from lattice QCD with physical quark masses

We present a lattice QCD calculation of the transversity isovector- and isoscalar-quark parton distribution functions (PDFs) of the proton utilizing a perturbative matching at next-to-leading-order (NLO) accuracy. Additionally, we determine the isovector and isoscalar tensor charges for the proton. In both calculations, the disconnected contributions to the isoscalar matrix elements have been ignored. The calculations are performed using a single ensemble of N f = 2 + 1 highly improved staggered quarks simulated with physical-mass quarks and a lattice spacing of a = 0.076 fm . The Wilson-clover action, with physical quark masses and smeared gauge links obtained from one iteration of hypercubic smearing, is used in the valence sector. Using the NLO operator product expansion, we extract the lowest four to six Mellin moments and the PDFs via a neural network from the matrix elements in the pseudo-PDF approach. In addition, we calculate the PDFs in the quasi-PDF approach with hybrid-scheme renormalization and the recently developed leading-renormalon resummation technique, at NLO with the resummation of leading small- x logarithms. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Isospin 0 and 2 two-pion scattering at physical pion mass using all-to-all propagators with periodic boundary conditions in lattice QCD

A study of two-pion scattering for the isospin channels, 𝐼 = 0 and 𝐼 = 2, using lattice QCD is presented. Möbius domain-wall fermions, on top of the Iwasaki-DSDR gauge action for gluons with periodic boundary conditions, are used for the lattice computations, which are carried out on two ensembles of gauge field configurations generated by the RBC and UKQCD Collaborations with physical masses, inverse lattice spacings of 1.023 and 1.378 GeV, and spatial extents of 𝐿 = 4.63 and 4.58 fm, respectively. The all-to-all propagator method is employed to compute a matrix of correlation functions of two-pion operators. The generalized eigenvalue problem (GEVP) is solved for a matrix of correlation functions to extract phase shifts with multiple states—two pions with a nonzero relative momentum, as well as two pions at rest. Our results for phase shifts for both the 𝐼 = 0 and 𝐼 = 2 channels are consistent with the Roy equation and chiral perturbation theory, though at this preliminary stage our errors for 𝐼 = 0 are large. An important outcome of this work is that we are successful in extracting two-pion excited states, which are useful for studying 𝐾 → 𝜋⁢𝜋 decay, on physical-mass ensembles using the GEVP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Phase-space Energization of Ions in Oblique Shocks

Abstract Examining energization of kinetic plasmas in phase space is a growing topic of interest, owing to the wealth of data in phase space compared to traditional bulk energization diagnostics. Via the field-particle correlation (FPC) technique and using multiple means of numerically integrating the plasma kinetic equation, we have studied the energization of ions in phase space within oblique collisionless shocks. The perspective afforded to us with this analysis in phase space allows us to characterize distinct populations of energized ions. In particular, we focus on ions that reflect multiple times off the shock front through shock-drift acceleration, and how to distinguish these different reflected populations in phase space using the FPC technique. We further extend our analysis to simulations of three-dimensional shocks undergoing more complicated dynamics, such as shock ripple, to demonstrate the ability to recover the phase-space signatures of this energization process in a more general system. This work thus extends previous applications of the FPC technique to more realistic collisionless shock environments, providing stronger evidence of the technique’s utility for simulation, laboratory, and spacecraft analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

PDF DECODER ANALYSIS CODE

SF-24-038"PDFdecoder", as a new application to explore parametrizations of parton distribution functions (PDFs) of the proton or other hadrons. The PDFs are fundamental quantities in particle physics which are necessary inputs to precise theoretical predictions for experiments at the Large Hadron Collider (LHC) and other facilities. As such, understanding how the PDFs are parametrized and associated uncertainties is a pressing need. The specific problem PDFdecoder confronts is the need of having a tractable and interpretably machine-learning (ML) framework to parametrize the PDFs and their uncertainties so as to understand how a given preferred parametrization is obtained. This problem has not been significantly addressed in the current literature. While other groups have used ML-based approaches to parametrize PDFs in the form of feed-forward neural networks, the question of tractability has not been explored in a PDF context. Our solution makes significant progress in this problem by using an array of encoder-decoder (essentially, autoencoder) architectures with varying constraints to the intermediate latent spaces based on interpretable physics. As a consequence, the trained models can be used as generative networks to produce interpretable predictions for the PDFs in a way that can be refined and studied further.

Hobbs, Timothy↗
DOE OSTI2021

Nonadiabatic couplings from a variational excited state method based on constrained DFT

Excited Costrained Density Functional Theory (XCDFT) is a variational excited state method that extends ground state DFT to the computation of low-lying excited states. It borrows much of the machinery of Constrained DFT (CDFT) with a crucial difference: the constraint imposes a population of one electron in the Hilbert space spanned by the virtuals of a reference ground state. Here, we present theory and implementation for evaluating nonadiabatic coupling vectors (NACVs) between the first excited state computed with XCDFT and the ground state. Our NACVs are computed analytically using density functional perturbation theory with a formalism that is general enough that could be applied to CDFT diabatic states. We showcase the new method with pilot NACV calculations for the conical intersection in H 3 , the avoided crossing in selenoacrolein, and the NACV magnitudes in azobenzene. Despite complications from the nonorthogonality of the wavefunctions, XCDFT’s energy surfaces and NACVs reproduce benchmark values and respect known sum rules within a reasonable degree. This shows that XCDFT is a viable method for nonadiabatic dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A fast and accurate physics-informed neural network reduced order model with shallow masked autoencoder

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov n-width. However, for physical phenomena not of this type, e.g., any advection-dominated flow phenomena such as in traffic flow, atmospheric flows, and air flow over vehicles, a low-dimensional linear subspace poorly approximates the solution. To address cases such as these, we have developed a fast and accurate physics-informed neural network ROM, namely nonlinear manifold ROM (NM-ROM), which can better approximate high-fidelity model solutions with a smaller latent space dimension than the LS-ROMs. Our method takes advantage of the existing numerical methods that are used to solve the corresponding full order models. The efficiency is achieved by developing a hyper-reduction technique in the context of the NM-ROM. Numerical results show that neural networks can learn a more efficient latent space representation on advection-dominated data from 1D and 2D Burgers' equations. A speedup of up to 2.6 for 1D Burgers' and a speedup of 11.7 for 2D Burgers' equations are achieved with an appropriate treatment of the nonlinear terms through a hyper-reduction technique. Lastly, a posteriori error bounds for the NM-ROMs are derived that take account of the hyper-reduced operators.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A two-fluid solar-wind model with intermittent Alfvénic turbulence

In one of the leading theories for the origin of the solar wind, photospheric motions launch Alfvén waves (AWs) that propagate along open magnetic-field lines through the solar atmosphere and into the solar wind. The radial variation in the Alfvén speed causes some of the AWs to reflect, and counter-propagating AWs subsequently interact to produce Alfveńic turbulence, in which AW energy cascades from long wavelengths to short wavelengths and dissipates, heating the plasma. In this paper we develop a one-dimensional two-fluid solar-wind model that includes Alfvénic turbulence, proton temperature anisotropy and a novel method for apportioning the turbulent heating rate between parallel proton heating, perpendicular proton heating and electron heating. We employ a turbulence model that accounts for recent observations from NASA’s Parker Solar Probe, which find that AW fluctuations in the near-Sun solar wind are intermittent and less anisotropic than in previous models of anisotropic magnetohydrodynamic turbulence. Our solar-wind model reproduces a wide range of remote observations of the corona and in-situ measurements of the solar wind, and our turbulent heating model consists of analytic equations that could be usefully incorporated into other solar-wind models and numerical models of more distant astrophysical plasmas.

astrophysical plasmas↗
DOE OSTI2025

Efficient sampling of free energy landscapes with functions in Sobolev spaces

Molecular simulations of biological and physical phenomena generally involve sampling complicated, rough energy landscapes characterized by multiple local minima. In this work, we introduce a new family of methods for advanced sampling that draw inspiration from functional representations used in machine learning and approximation theory. As shown here, such representations are particularly well suited for learning free energies using artificial neural networks. As a system evolves through phase space, the proposed methods gradually build a model for the free energy as a function of one or more collective variables, from both the frequency of visits to distinct states and generalized force estimates corresponding to such states. Implementation of the methods is relatively simple and, more importantly, for the representative examples considered in this work, they provide computational efficiency gains of up to several orders of magnitude over other widely used simulation techniques.

Approximation theory↗
DOE OSTI2020

The CLAS12 superconducting magnets

As part of the Jefferson Lab 12 GeV upgrade, the Hall B CLAS12 system requires two superconducting iron-free magnets — a torus and a solenoid. The physics requirements to maximize space for the detectors guided engineers toward particular coil designs for each of the magnets which, in turn, led to the choice of using conduction cooling. The torus consists of 6 trapezoidal NbTi coils connected in series with an operating current of 3770 A. The solenoid is an actively shielded 5 T magnet consisting of 5 NbTi coils connected in series operating at 2416 A. Within the hall, the two magnets are located in close proximity to each other and are completely covered both inside and outside by particle detectors. Stringent size limitations were imposed for both magnets and introduced particular design and fabrication challenges. This paper describes the design, construction, installation, commissioning, and operation of the two magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Nonlinear manifold reduced order model

Traditional linear subspace reduced order models (LS-ROMs) are able to accelerate physical simulations in which the intrinsic solution space falls into a subspace with a small dimension, i.e., the solution space has a small Kolmogorov n-width. However, for physical phenomena not of this type, e.g., any advection-dominated flow phenomena such as in traffic flow, atmospheric flows, and air flow over vehicles, a lowdimensional linear subspace poorly approximates the solution. To address cases such as these, we have developed a fast and accurate physics-informed neural network ROM, namely nonlinear manifold ROM (NM-ROM), which can better approximate high-fidelity model solutions with a smaller latent space dimension than the LS-ROMs. Our software takes advantage of the existing numerical methods that are used to solve the corresponding full order models. The efficiency is achieved by developing a hyper-reduction technique in the context of the NM-ROM. Numerical results show that neural networks can learn a more efficient latent space representation on advection-dominated data from 1D and 2D Burgers' equations. A speedup of up to 2.6 for 1D Burgers' and a speedup of 11.7 for 2D Burgers' equations are achieved with an appropriate treatment of the nonlinear terms through a hyper-reduction technique.

Choi, Youngsoo↗
DOE OSTI2022

Disentangling long and short distances in momentum-space TMDs

The extraction of nonperturbative TMD physics is made challenging by prescriptions that shield the Landau pole, which entangle long- and short-distance contributions in momentum space. The use of different prescriptions then makes the comparison of fit results for underlying nonperturbative contributions not meaningful on their own. We propose a model-independent method to restrict momentum-space observables to the perturbative domain. This method is based on a set of integral functionals that act linearly on terms in the conventional position-space operator product expansion (OPE). Artifacts from the truncation of the integral can be systematically pushed to higher powers in Λ QCD /k T . We demonstrate that this method can be used to compute the cumulative integral of TMD PDFs over k T ≤ k$^{cut}_{T}$ in terms of collinear PDFs, accounting for both radiative corrections and evolution effects. This yields a systematic way of correcting the naive picture where the TMD PDF integrates to a collinear PDF, and for unpolarized quark distributions we find that when renormalization scales are chosen near k$^{cut}_{T}$, such corrections are a percent-level effect. We also show that, when supplemented with experimental data and improved perturbative inputs, our integral functionals will enable model-independent limits to be put on the non-perturbative OPE contributions to the Collins-Soper kernel and intrinsic TMD distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Stochastic Inflation at NNLO

Stochastic Inflation is an important framework for understanding the physics of de Sitter space and the phenomenology of inflation. In the leading approximation, this approach results in a Fokker-Planck equation that calculates the probability distribution for a light scalar field as a function of time. Despite its successes, the quantum field theoretic origins and the range of validity for this equation have remained elusive, and establishing a formalism to systematically incorporate higher order effects has been an area of active study. In this paper, we calculate the next-to-next-to-leading order (NNLO) corrections to Stochastic Inflation using Soft de Sitter Effective Theory (SdSET). In this effective description, Stochastic Inflation manifests as the renormalization group evolution of composite operators. The leading impact of non-Gaussian quantum fluctuations appears at NNLO, which is presented here for the first time; we derive the coefficient of this term from a two-loop anomalous dimension calculation within SdSET. We solve the resulting equation to determine the NNLO equilibrium distribution and the low-lying relaxation eigenvalues. In the process, we must match the UV theory onto SdSET at one-loop order, which provides a non-trivial confirmation that the separation into Wilson-coefficient corrections and contributions to initial conditions persists beyond tree level. Furthermore, these results illustrate how the naive factorization of time and momentum integrals in SdSET no longer holds in the presence of logarithmic divergences. It is these effects that ultimately give rise to the renormalization group flow that yields Stochastic Inflation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Reduced conformal symmetry

We construct field theories in 2 + 1 dimensions with multiple conformal symmetries acting on only one of the spatial directions. These can be considered a conformal extension to “subsystem scale invariances”, borrowing the language often used for fractons.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Separation of variables in the WZW models

We consider dynamics of scalar and vector fields on gravitational backgrounds of the Wess-Zumino-Witten models. For SO(4) and its cosets, we demonstrate full separation of variables for all fields and find a close analogy with a similar separation of vector equations in the backgrounds of the Myers-Perry black holes. For SO(5) and higher groups separation of variables is found only in some subsectors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Separability in consistent truncations

The separability of the Hamilton-Jacobi equation has a well-known connection to the existence of Killing vectors and rank-two Killing tensors. This paper combines this connection with the detailed knowledge of the compactification metrics of consistent truncations on spheres. The fact that both the inverse metric of such compactifications, as well as the rank-two Killing tensors can be written in terms of bilinears of Killing vectors on the underlying “round metric,” enables us to perform a detailed analyses of the separability of the Hamilton-Jacobi equation for consistent truncations. We introduce the idea of a separating isometry and show that when a consistent truncation, without reduction gauge vectors, has such an isometry, then the Hamilton-Jacobi equation is always separable. When gauge vectors are present, the gauge group is required to be an abelian subgroup of the separating isometry to not impede separability. We classify the separating isometries for consistent truncations on spheres, S n , for n = 2, …, 7, and exhibit all the corresponding Killing tensors. These results may be of practical use in both identifying when supergravity solutions belong to consistent truncations and generating separable solutions amenable to scalar probe calculations. Finally, while our primary focus is the Hamilton-Jacobi equation, we also make some remarks about separability of the wave equation.

79 ASTRONOMY AND ASTROPHYSICS↗