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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Experimental and computational study of phase space dynamics in strongly coupled plasmas with steep density gradients

Understanding how plasmas thermalize when density gradients are steep remains a fundamental challenge in plasma physics, with direct implications for fusion experiments and astrophysical phenomena. Standard hydrodynamic models break down in these regimes, and kinetic theories make predictions that have never been directly tested. Here, we present the first detailed phase-space measurements of a strongly coupled plasma as it evolves from sharp density gradients to thermal equilibrium. Using laser-induced fluorescence imaging of an ultracold calcium plasma, we track the complete ion distribution function f(x,v,t). We discover that commonly used kinetic models (Bhatnagar–Gross–Krook and Lenard–Bernstein) overpredict thermalization rates, even while correctly capturing the initial counterstreaming plasma formation. Our measurements reveal that the initial ion acceleration response scales linearly with electron temperature, and that the simulations underpredict the initial ion response. In our geometry we demonstrate the formation of well-controlled counterpropagating plasma beams. This experimental platform enables precision tests of kinetic theories and opens new possibilities for studying plasma stopping power and flow-induced instabilities in strongly coupled systems.

Bergeson, Scott (ORCID:0000000231249226)↗
DOE OSTI2024

A Deep Learning-Driven Sampling Technique to Explore the Phase Space of an RNA Stem-Loop

The folding and unfolding of RNA stem-loops are critical biological processes; however, their computational studies are often hampered by the ruggedness of their folding landscape, necessitating long simulation times at the atomistic scale. Here, we adapted DeepDriveMD (DDMD), an advanced deep learning-driven sampling technique originally developed for protein folding, to address the challenges of RNA stem-loop folding. Although tempering- and order parameter-based techniques are commonly used for similar rare-event problems, the computational costs or the need for a priori knowledge about the system often present a challenge in their effective use. DDMD overcomes these challenges by adaptively learning from an ensemble of running MD simulations using generic contact maps as the raw input. DeepDriveMD enables on-the-fly learning of a low-dimensional latent representation and guides the simulation toward the undersampled regions while optimizing the resources to explore the relevant parts of the phase space. We showed that DDMD estimates the free energy landscape of the RNA stem-loop reasonably well at room temperature. Our simulation framework runs at a constant temperature without external biasing potential, hence preserving the information on transition rates, with a computational cost much lower than that of the simulations performed with external biasing potentials. Here, we also introduced a reweighting strategy for obtaining unbiased free energy surfaces and presented a qualitative analysis of the latent space. This analysis showed that the latent space captures the relevant slow degrees of freedom for the RNA folding problem of interest. Finally, throughout the manuscript, we outlined how different parameters are selected and optimized to adapt DDMD for this system. We believe this compendium of decision-making processes will help new users adapt this technique for the rare-event sampling problems of their interest.

Gupta, Ayush↗
DOE OSTI2026

Detecting shearless phase-space transport barriers in global gyrokinetic turbulence simulations with test particle map models

In magnetically confined fusion plasmas, the role played by zonal 𝐸 x 𝐵 flow shear layers in the suppression of turbulent transport is relatively well understood. However, less is understood about the role played by the weak shear regions that arise in the non-monotonic radial electric field profiles often associated with these shear layers. In electrostatic simulations from the global total-𝑓 gyrokinetic particle-in-cell code XGC, we demonstrate how shearless regions with non-zero flow curvature form zonal ‘jets’ that, in conjunction with neighbouring regions of shear, can act as robust barriers to particle transport and turbulence spreading. By isolating quasi-coherent fluctuations radially localised to the zonal jets, we construct a map model for the Lagrangian dynamics of gyrokinetic test particles in the presence of drift waves. We identify the presence of shearless invariant tori in this model and verify that these tori act as partial phase-space transport barriers in the simulations. We also demonstrate how avalanches impinging on these shearless tori cause eddy detachment events that form ‘cold/warm core ring’ structures analogous to those found in oceanic jets, facilitating transport across the barriers without destroying them completely. We discuss how shearless tori may generically arise from tertiary instabilities or other types of discrete eigenmodes, suggesting their potential relevance to broader classes of turbulent fluctuations.

fusion plasma↗
DOE OSTI2025

Data-Driven Mapping of the Cesium Cadmium Bromide Phase Space Utilizing a Soft-Chemistry Approach

Soft-chemistry techniques provide a versatile approach to synthesizing inorganic materials under mild conditions, enabling access to compositions and structures that are challenging to achieve through traditional thermodynamically driven solid-state methods. However, these solution-based routes often result in phase competition, requiring precise control over reaction conditions to achieve selective product formation. While one-variable-at-a-time (OVAT) approaches have traditionally been used for phase selection, data-driven strategies are emerging as more efficient methods for navigating complex synthetic spaces. Ternary metal halides, such as cesium cadmium bromides (Cs–Cd–Br), are of growing interest due to their potential in wide and ultrawide band gap applications. Unlike the well-studied cesium lead halide phases, the compositional diversity and solution-based synthesis of ternary Cs–Cd–Br phases remain largely unexplored. This study systematically investigates the synthetic phase space of the Cs–Cd–Br system by constructing a data-driven phase map. Using a common set of precursors and a standardized experimental procedure, we successfully synthesize all four known Cs–Cd–Br phases—CsCdBr 3 , Cs 2 CdBr 4 , Cs 3 CdBr 5 , and Cs 7 Cd 3 Br 13 —each exhibiting distinct structures, morphologies, and optical properties. Our findings highlight the potential of soft-chemistry methods for expanding the library of ternary metal halides and provide key insights into the thermodynamic and kinetic factors governing phase formation.

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

Deployment and validation of predictive 6-dimensional beam diagnostics through generative reconstruction with standard accelerator elements

Understanding the 6-dimensional phase space distribution of particle beams is essential for optimizing accelerator performance. Conventional diagnostics such as use of transverse deflecting cavities offer detailed characterization but require dedicated hardware and space. Generative phase space reconstruction (GPSR) methods have shown promise in beam diagnostics, yet prior implementations still rely on such components. Here we present the first experimental implementation and validation of the GPSR methodology, realized by the use of standard accelerator elements including accelerating cavities and dipole magnets, to achieve complete 6-dimensional phase space reconstruction. Through simulations and experiments at the Pohang Accelerator Laboratory X-ray Free Electron Laser facility, we successfully reconstruct complex, nonlinear beam structures. Furthermore, we validate the methodology by predicting independent downstream measurements excluded from training, revealing the reconstruction closely resembling ground truth. This advancement establishes a pathway for predictive diagnostics across beamline segments while reducing hardware requirements and expanding applicability to various accelerator facilities.

Kim, Seongyeol [Pohang Univ. of Science and Techno↗
DOE OSTI2026

Velocity-space Origins of the Pressure–Strain Interaction in Multipopulation Distributions and Its Application to Magnetic Reconnection

A forefront research question is how energy evolves in weakly collisional plasmas for which departures from local thermodynamic equilibrium (LTE) are significant. The standard approach is studying the terms in the non-LTE energy evolution equation derived by taking the second moment of the Boltzmann equation, but the resultant fluid metrics do not retain information about which particles at which velocities drive energy evolution. A widely studied channel for internal energy density evolution is the pressure–strain interaction. Here, we employ the kinetic pressure–strain, a phase-space diagnostic whose velocity-space integral recovers the pressure–strain interaction to disambiguate the contributions to the pressure–strain interaction from disparate particle populations in composite phase-space densities. We develop phase-space analogs of the pressure–strain interaction decompositions to provide the phase-space origins of normal versus sheared flow. We introduce the “kinetic strain-rate” tensor, the phase-space analog of the strain-rate tensor, which we argue is needed to interpret the phase-space origins of the pressure–strain interaction. To demonstrate the utility of these quantities, we investigate them for composite electron distributions near the electron diffusion region in two-dimensional particle-in-cell simulations of antiparallel symmetric magnetic reconnection. We find that the phase-space-based diagnostics isolate the roles of distinct populations. These results contribute to a growing body of work providing new methods for quantifying phase-space energy evolution for a broad array of processes, from magnetic reconnection to collisionless shocks and turbulence, opening new pathways for answering longstanding problems of particle energization in weakly collisional plasmas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Galactic echoes

Gaia has revealed a variety of substructures in the phase space of stars in the Solar neighbourhood, including the vertical ‘Snail’ $(z, v_z)$ in space. Such substructures are often interpreted as the incompletely phase-mixed response of the disc stars to a single perturbation, such as an impulsive encounter with a satellite galaxy. In this paper, we consider the possibility that such structures contain manifestations of phase-space echoes. First established in plasma physics in the 1960s, echoes arise when a collisionless system is perturbed twice: the macroscopic responses to both perturbations mix to small scales in phase space, whereupon they couple non-linearly, producing a third macroscopic ‘echo’ response without the need for a third perturbation. We derive the galactic analogue of the plasma echo theory using angle-action variables and apply it to a one-dimensional model of vertical motion in the Milky Way. We verify the predicted echo behaviour using idealized test particle simulations, both with and without the inclusion of diffusion through orbital scattering off molecular clouds. While we conclude that the Gaia Snail itself is unlikely a (pure) echo effect, the basic physics we uncover is sufficiently generic that we expect phase-space echoes to be common in disc galaxies.

Galaxy: evolution↗
DOE OSTI2026

A New Phase for Space Weather

As we move into the declining phase of solar cycle 25, the sunspot number is going down but space weather impacts are not disappearing. Solar energetic particle events, large x-ray flares, and geomagnetic storms are still happening and the declining phase will bring a different balance of hazards. The need for space weather science, space weather applications, and an interface between research, application, and stakeholder communities has not passed. Observations and insights from solar cycle 25 will continue to help us prepare for solar cycle 26, so that we approach the next solar maximum with better predictions, better understanding of outcomes, and a stronger community enabling more confident mitigation and clearer outreach.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Quantum Mechanics of a Spherically Symmetric Causal Diamond in Minkowski Spacetime

We construct the phase space of a spherically symmetric causal diamond in ( d + 2 )-dimensional Minkowski spacetime. Utilizing the covariant phase space formalism, we identify the relevant degrees of freedom that localize to the d -dimensional bifurcate horizon and, upon canonical quantization, determine their commutators. On this phase space, we find two Iyer-Wald charges. The first of these charges, proportional to the area of the causal diamond, is responsible for shifting the null time along the horizon and has been well documented in the literature. The second charge is much less understood, being integrable for d ≥ 2 only if we allow for field-dependent diffeomorphisms and is responsible for changing the size of the causal diamond. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

General guide concepts for compact, high-brilliance neutron moderators

The trend in neutron sciences is toward integrating compact, high-brightness moderators into new or upgraded facilities. Transporting neutrons from the source to the sample position with a phase-space distribution tailored to specific requirements is crucial to leverage high source brilliance. Here we have investigated four guide concepts using Monte Carlo ray tracing simulations: Montel beamline with nested Kirkpatrick–Baez mirrors, curved-tapered beamline with a bender and straight sections, straight-elliptical beamline, and curved-elliptical beamline. The straight-elliptical (curved-elliptical) beamline features two half-ellipse guides connected by a straight (non-straight) guide section. The neutron transport efficiency and phase space homogeneity have been quantitatively compared. Our results show that the straight-elliptical beamline performs best because of few neutron bounces on the guide surface with small reflection angles, minimizing flux loss. The Montel beamline provides the best spatial confinement of neutrons within the desired region; however, there is a high thermal-neutron loss due to large reflection angles. The curved-tapered beamline suffers from significant flux loss due to high bounces, and it shows a non-uniform angular distribution related to broad ranges of bounces and reflection angles. The non-straight guide section of the curved-elliptical beamline increases the phase space inhomogeneity, leading to a spatially non-uniform beam profile. The results apply to general neutron instruments that require transporting thermal and cold neutrons from a compact, high-brilliance moderator to the sample location with a moderate phase-space volume.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Optimizing 4d Emittance Measurements Using the Pinhole Scan Technique

Accurate measurement of electron beam emittance is essential for optimizing high-brightness electron sources. The Pinhole Scan Technique measures the 4D phase space and hence the emittance by measuring the beam profile after clipping the beam using a pinhole followed by a drift section and then scanning the beam over the pinhole. This technique has been implemented in low energy (< 200 keV) beamlines at both Cornell University and Arizona State University. However, the technique poses several practical challenges. In this work, we analyze and address key issues affecting the 4D phase space and emittance measurements using this technique. We identify and investigate sources of inaccuracies like the pinhole aspect ratio, beam divergence, position-momentum correlations in the phase space, and the point-spread-function of the detector and suggest techniques to minimize them. Our findings offer a pathway to more accurate 4D phase space characterization in advanced electron beam systems.

42 ENGINEERING↗
DOE OSTI2024

Asymptotic structure of higher dimensional Yang-Mills theory

Using the covariant phase space formalism, we construct the phase space for non-Abelian gauge theories in (d+2)-dimensional Minkowski spacetime for any d ≥ 2, including the edge modes that symplectically pair to the low energy degrees of freedom of the gauge field. Despite the fact that the symplectic form in odd and even-dimensional spacetimes appear ostensibly different, we demonstrate that both cases can be treated in a unified manner by utilizing the shadow transform. Upon quantization, we recover the algebra of the vacuum sector of the Hilbert space and derive a Ward identity that implies the leading soft gluon theorem in (d+2)-dimensional spacetime.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

DG-IMEX method for a two-moment model for radiation transport in the $\mathscr{O}$($v$/$c$) limit

Here, we consider neutral particle systems described by moments of a phase-space density and propose a realizability-preserving numerical method to evolve a spectral two-moment model for particles interacting with a background fluid moving with nonrelativistic velocities. The system of nonlinear moment equations, with special relativistic corrections to $\mathscr{O}$($v$/$c$), expresses a balance between phase-space advection and collisions and includes velocity-dependent terms that account for spatial advection, Doppler shift, and angular aberration. The model is conservative for the correct $\mathscr{O}$($v$/$c$) Eulerian-frame number density and is consistent, to $\mathscr{O}$($v$/$c$), with Eulerian-frame energy and momentum conservation. This model is closely related to the one promoted by Lowrie et al. and similar to models currently used to study transport phenomena in large-scale simulations of astrophysical environments. The proposed numerical method is designed to preserve moment realizability, which guarantees that the moments correspond to a nonnegative phase-space density. The realizability-preserving scheme consists of the following key components: (i) a strong stability-preserving implicit-explicit (IMEX) time-integration method; (ii) a discontinuous Galerkin (DG) phase-space discretization with carefully constructed numerical uxes; (iii) a realizability-preserving implicit collision update; and(iv) a realizability-enforcing limiter. In time integration, nonlinearity of the moment model necessitates solution of nonlinear equations, which we formulate as fixed-point problems and solve with tailored iterative solvers that preserve moment realizability with guaranteed global convergence. We also analyze the simultaneous Eulerian-frame number and energy conservation properties of the semi-discrete DG scheme and propose a "spectral redistribution" scheme that promotes Eulerian-frame energy conservation. Through numerical experiments, we demonstrate the accuracy and robustness of this DG-IMEX method and investigate its Eulerian-frame energy conservation properties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Exploring the Nucleon Structure via Deep Electroproduction Processes

Understanding the internal structure of the nucleon is a fundamental goal of modern physics, which aims at a comprehensive framework describing the internal dynamics of quarks and gluons. Among other structure functions, Generalized Parton Distributions (GPDs) offer a powerful framework for describing the nucleon dynamics by correlating the longitudinal momentum and the transverse position of its internal partons. Such a correlation provides a three-dimensional picture of the nucleon and enables access to fundamental properties, including the internal pressure distributions and the parton’s angular momentum contribution to the nucleon's total spin, thereby playing a central role in resolving the nucleon spin puzzle. At the Thomas Jefferson National Facility (JLab), polarized electron beam experiments allow for probing GPDs through the measurement of hard exclusive processes. Among the cleanest experimental channels, we find the electro-production of a real photon through the Deeply Virtual Compton Scattering (DVCS) mechanism. The first data-taking period of the CLAS12 program, taking place in 2018, allowed for unique DVCS Beam Spin Asymmetry (BSA) measurements in the phase space covered by a 10.6 GeV polarized electron beam impinging on an unpolarized liquid hydrogen target. Although detecting all final-state particles ensures exclusivity of the process, conservation laws indicate that it is not mandatory. I adopt an approach omitting the direct detection of the recoil proton, providing a simplified yet effective event selection strategy that boosts statistics and gives access to a larger phase space sensitive to the underlying GPD dynamics through BSA and cross section measurements. The Double DVCS (DDVCS) process promises a dedicated mapping of GPDs. Contributing to the electro-production of a lepton pair cross-section, the DDVCS reaction extends DVCS by allowing the final-state photon to be virtual, enriching the kinematic phase space and providing unique access to the internal correlations encoded by GPDs. A feasibility study is conducted to assess the potential of future DDVCS measurements at Jefferson Lab and the future Electron-Ion Collider (EIC). While Jefferson Lab will provide DDVCS measurements in the valence region through the SoLID$\mu$ and $\mu$CLAS12 experimental projects, in the long term, the EIC will provide complementary measurements in the sea region, both accessing unprecedented information about GPDs in a phase space region otherwise inaccessible. Taken together, these investigations demonstrate both the current capabilities and future opportunities for probing GPDs through exclusive processes. The experimental analysis of DVCS at CLAS12 provides precise measurements within an established framework, while the phenomenological study of DDVCS opens the door to richer and more comprehensive explorations with future detectors and facilities.

Alvarado, Juan [Université Paris-Saclay: Gif-sur-Y↗