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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Demonstration of Model-Independent Control of the Longitudinal Phase Space of Electron Beams in the Linac-Coherent Light Source with Femtosecond Resolution

The dynamics of intense electron bunches in free electron lasers and plasma wakefield accelerators are dominated by complex collective effects such as wakefields, space charge, coherent synchrotron radiation, and drift unpredictably with time, making it difficult to control and tune beam properties using model-based approaches. Here in this paper we report on a first of its kind combination of automatic, model-independent feedback with a neural network for control of the longitudinal phase space of relativistic electron beams with femtosecond resolution based only on transverse deflecting cavity measurements.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

3D field phase-space control in tokamak plasmas

Here, a small relaxation of the axisymmetric magnetic field of a tokamak into a non-axisymmetric three-dimensional (3D) configuration can be effective to control magnetohydrodynamic instabilities, such as edge-localized modes. However, a major challenge to the concept of 3D tokamaks is that there are virtually unlimited possible choices for a 3D magnetic field, and most of them will only destabilize or degrade plasmas by symmetry breaking. Here, we demonstrate the phase-space visualization of the full 3D field-operating windows of a tokamak, which allows us to predict which configurations will maintain high confinement without magnetohydrodynamic instabilities in an entire region of plasmas. We test our approach at the Korean Superconducting Tokamak Advanced Research (KSTAR) facility, whose 3D coils with many degrees of freedom in the coil space make it unique for this purpose. Our experiments show that only a small subset of coil configurations can accomplish edge-localized mode suppression without terminating the discharge with core magnetohydrodynamic instabilities, as predicted by the perturbative 3D expansion of plasma equilibrium and the optimizing principle of local resonance. The prediction provided excellent guidance, implying that our method can substantially improve the efficiency and fidelity of the 3D optimization process in tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Excluded-volume model for quarkyonic matter. II. Three-flavor shell-like distribution of baryons in phase space

We extend the excluded-volume model of isospin symmetric two-flavor dense quarkyonic matter [Phys. Rev. C 101, 035201 (2020)] including strange particles and address its implications for neutron stars. The effective sizes of baryons are defined from the diverging hard-core potentials in the short interdistance regime. Around the hard-core density, the repulsive core between baryons at short distances leads to a saturation in the number density of baryons and generates perturbative quarks from the lower phase space, which leads to the shell-like distribution of baryons by the Pauli exclusion principle. The strange-quark Fermi sea always appears at high densities but the Λ hyperon shell only appears when the effective size of the Λ hyperon is smaller than the effective size of nucleons. We find that the pressure of strange quarkyonic matter can be large enough to support neutron stars with two times solar mass and can have a large sound speed, $c^2_s ≃ 0.7$. Finally, the fraction of the baryon number carried by perturbative quarks is about 30% at the inner core of most massive neutron stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

An interoperable implementation of collective‐variable based enhanced sampling methods in extended phase space within the OpenMM package

Collective variable (CV)-based enhanced sampling techniques are widely used today for accelerating barrier-crossing events in molecular simulations. A class of these methods, which includes temperature accelerated molecular dynamics (TAMD)/driven-adiabatic free energy dynamics (d-AFED), unified free energy dynamics (UFED), and temperature accelerated sliced sampling (TASS), uses an extended variable formalism to achieve quick exploration of conformational space. These techniques are powerful, as they enhance the sampling of a large number of CVs simultaneously compared to other techniques. Extended variables are kept at a much higher temperature than the physical temperature by ensuring adiabatic separation between the extended and physical subsystems and employing rigorous thermostatting. Here, in this work, we present a computational platform to perform extended phase space enhanced sampling simulations using the open-source molecular dynamics engine OpenMM. The implementation allows users to have interoperability of sampling techniques, as well as employ state-of-the-art thermostats and multiple time-stepping. This work also presents protocols for determining the critical parameters and procedures for reconstructing high-dimensional free energy surfaces. As a demonstration, we present simulation results on the high dimensional conformational landscapes of the alanine tripeptide in vacuo, tetra-N-methylglycine (tetra-sarcosine) peptoid in implicit solvent, and the Trp-cage mini protein in explicit water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Pseudo-neutrino versus recoil formalism for 4-body phase space and applications to nuclear decay

It is well known that the traditional treatment of radiative corrections that utilizes the “true” neutrino momentum$\overrightarrow{p}_v$ in the differential decay rate formula could lead to a ~α/π systematic error in certain observables due to the mistreatment of 4-body kinematics. Here, I investigate the theory structure of one of the proposed solutions, the “v'-formalism”, in the nonrecoil limit appropriate for neutron and nuclear β decays. I derive an elegant master formula for the 4-body phase space and use it to reanalyze the spectrum-dependent “outer” radiative corrections to the β decay of a polarized spin-half nucleus; a complete set of analytic expressions is provided for readers to straightforwardly obtain the final numerical results. Furthermore, I compare it to the “recoil formalism” where the energy of the recoil nucleus is fixed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Angular momentum eigenstates of the isotropic 3-D harmonic oscillator: Phase-space distributions and coalescence probabilities

The isotropic 3-dimensional harmonic oscillator potential can serve as an approximate description of many systems in atomic, solid state, nuclear, and particle physics. In particular, the question of 2 particles binding (or coalescing) into angular momentum eigenstates in such a potential has interesting applications. Here we compute the probabilities for coalescence of two distinguishable, non-relativistic particles into such a bound state, where the initial particles are represented by generic wave packets of given average positions and momenta. We use a phase-space formulation and hence need the Wigner distribution functions of angular momentum eigenstates in isotropic 3-dimensional harmonic oscillators. These distribution functions have been discussed in the literature before but we utilize an alternative approach to obtain these functions. Along the way, we derive a general formula that expands angular momentum eigenstates in terms of products of 1-dimensional harmonic oscillator eigenstates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Full phase space resonant anomaly detection

Physics beyond the Standard Model that is resonant in one or more dimensions has been a longstanding focus of countless searches at colliders and beyond. Recently, many new strategies for have been developed, where sideband information can be used in conjunction with modern machine learning, in order to generate synthetic datasets representing the Standard Model background. Until now, this approach was only able to accommodate a relatively small number of dimensions, limiting the breadth of the search sensitivity. Using recent innovations in point cloud generative models, we show that this strategy can also be applied to the full phase space, using all relevant particles for the anomaly detection. As a proof of principle, we show that the signal from the R&D dataset from the LHC Olympics is findable with this method, opening up the door to future studies that explore the interplay between depth and breadth in the representation of the data for anomaly detection. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

On the Neutrino Distributions in Phase Space for the Rotating Core-collapse Supernova Simulated with a Boltzmann-neutrino-radiation-hydrodynamics Code

With the Boltzmann-radiation-hydrodynamics code, which we have developed to solve numerically the Boltzmann equations for neutrino transfer, the Newtonian hydrodynamics equations, and the Newtonian self-gravity simultaneously and consistently, in this work we simulate the collapse of a rotating core of the progenitor with a zero-age- main-sequence mass of 11.2 M ⊙ and a shellular rotation of $1\,\mathrm{rad}\,{{\rm{s}}}^{-1}$ at the center. We pay particular attention in this paper to the neutrino distribution in phase space, which is affected by the rotation. By solving the Boltzmann equations directly, we can assess the rotation-induced distortion of the angular distribution in momentum space, which gives rise to the rotational component of the neutrino flux. We compare the Eddington tensors calculated both from the raw data and from the M1-closure approximation. We demonstrate that the Eddington tensor is determined by complicated interplays of the fluid velocity and the neutrino interactions and that the M1-closure, which assumes that the Eddington factor is determined by the flux factor, fails to fully capture this aspect, especially in the vicinity of the shock. We find that the error in the Eddington factor reaches ~20% in our simulation. This is due not to the resolution but to the different dependence of the Eddington and flux factors on the angular profile of the neutrino distribution function, and hence modification to the closure relation is needed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Improved single-particle phase-space distributions for viscous fluid dynamic models of relativistic heavy ion collisions

Comparison of hydrodynamic calculations with experimental data inevitably requires a model for converting the fluid to particles. For shear viscous fluids, several different conversion models have been proposed, such as the quadratic Grad corrections, the Strickland-Romatschke (SR) ansatz, self-consistent shear corrections from linearized kinetic theory, or corrections from the relaxation time approach. We show, via comparison to nonlinear 2 → 2 kinetic theory evolution, that even for low specific shear viscosities 0.03 ≲ $\textit{η/s}$ ≲ 0.2 , these four models have varying accuracy and still significant errors in reproducing particle phase space densities from hydrodynamic fields. Moreover, we demonstrate that the overall reconstruction error of additive shear viscous $f = f_{eq} + δf$ models dramatically reduces by up to one order of magnitude, if one ensures through exponentiation that $\textit{f}$ is always positive. Further, we also illustrate how even more accurate viscous $\textit{δf}$ models can be constructed by incorporating the first time derivatives of hydrodynamic fields to account for the past evolution of the system. Such time derivatives are readily available in hydrodynamic simulations, though usually not included in the output. Though our comparisons are limited to a one-component massless system undergoing a (0 + 1)-dimensional (0 + 1D) longitudinal boost-invariant expansion, we expect that the improved models will be useful in 2 + 1D and 3 + 1D hydrodynamic studies as well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Reduction of the beam dynamics systematic uncertainties by the phase space matching with RF electric fields in Muon g –2 experiment at Fermilab

Muon g –2 experiment at Fermilab aims to measure the magnetic anomaly of the muon in a precision of 140 parts-per-billion (ppb). It is one of the most strongly motivated precision particle physics experiments to unveil the mystery of the long-standing 3σ-4σ tension between the previous measurement of the muon g –2 experiment at BNL and the Standard Model predictions. One of the main challenges of the experiment is to keep the total systematic uncertainty within 100 ppb budget. In this dissertation, a novel way of matching the phase space in the muon g –2 storage ring to reduce the beam dynamics systematic effects with RF electric fields is presented. Systematic simulation studies and hardware development of the RF matching system are covered, followed by the promising analysis results of the commissioning runs.

Kim, On↗
DOE OSTI2021

Significant phase-space-driven thermal transport suppression in BC8 silicon

The BC8 silicon allotrope has a lattice thermal conductivity 1–2 orders of magnitude lower than that of diamond-cubic silicon. In the current work, the phonon density of states, phonon dispersion, and lattice thermal conductivity are investigated by inelastic neutron scattering measurements and first-principles calculations. Flat phonon bands are found to play a critical role in the reduction of lattice thermal conductivity in BC8–Si. Such bands in the low-energy range enhance the phonon scattering between acoustic and low-energy optical phonons, while bands in the intermediate-energy range act as a scattering bridge between the high- and low-energy optical phonons. Further, they significantly enlarge the phonon-phonon scattering phase space and reduces the lattice thermal conductivity in this novel silicon allotrope. This work provides insights into the significant reduction of the lattice thermal conductivity in BC8–Si, thus expanding the understanding of novel silicon allotropes and their development for electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Exact Coherent Structures and Phase Space Geometry of Preturbulent 2D Active Nematic Channel Flow

Confined active nematics exhibit rich dynamical behavior, including spontaneous flows, periodic defect dynamics, and chaotic “active turbulence.” Here, we study these phenomena using the framework of exact coherent structures, which has been successful in characterizing the routes to high Reynolds number turbulence of passive fluids. Exact coherent structures are stationary, periodic, quasiperiodic, or traveling wave solutions of the hydrodynamic equations that, together with their invariant manifolds, serve as an organizing template of the dynamics. We compute the dominant exact coherent structures and connecting orbits in a preturbulent active nematic channel flow, which enables a fully nonlinear but highly reduced-order description in terms of a directed graph. Using this reduced representation, we compute instantaneous perturbations that switch the system between disparate spatiotemporal states occupying distant regions of the infinite-dimensional phase space. Overall, our results lay the groundwork for a systematic means of understanding and controlling active nematic flows in the moderate- to high-activity regime.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Phase Space Dynamics of a Plasma Wakefield Dechirper for Energy Spread Reduction

Plasma-based accelerators have made impressive progress in recent years. However, the beam energy spread obtained in these accelerators is still at the ~1% level, nearly one order of magnitude larger than what is needed for challenging applications like coherent light sources or colliders. In plasma accelerators, the beam energy spread is mainly dominated by its energy chirp (longitudinally correlated energy spread). Furthermore, we demonstrate that when an initially chirped electron beam from a linac with a proper current profile is sent through a low-density plasma structure, the self-wake of the beam can significantly reduce its energy chirp and the overall energy spread. The resolution-limited energy spectrum measurements show at least a threefold reduction of the beam energy spread from 1.28% to 0.41% FWHM with a dechirping strength of ~1 (MV/m)/(mm pC). Refined time-resolved phase space measurements, combined with high-fidelity three-dimensional particle-in-cell simulations, further indicate the real energy spread after the dechirper is only about 0.13% (FWHM), a factor of 10 reduction of the initial energy spread.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
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 OSTI2019

Longitudinal Phase Space Dynamics in ERLs

Both the dynamics and the architecture of an energy recovery linac are primarily determined by the longitudinal match. This match can be manipulated by both the magnetic lattice and the RF systems. Here we will present a few examples of systems and the longitudinal solutions found for each. The first application is a free-electron laser application where a short bunch and high peak current are required. The laser increases the energy spread and lowers the energy and this must be compensated in the ERL design. The second application is for an internal target experiment where the need was for small energy spread rather than a short bunch. The third example is for an electron cooler where the bunch must be very long with extremely small energy spread. The beam disruption due to cooling is small but CSR and microbunching effects are a real challenge. In the FEL, the longitudinal matching is mainly accomplished via lattice matching while in the cooler application the RF system is the dominant method to control the phase space. The internal target can be addressed either way.

Benson, Stephen↗
DOE OSTI2019

Electron phase-space hole transverse instability at high magnetic field

Analytic treatment is presented of the electrostatic instability of an initially planar electron hole in a plasma of effectively infinite particle magnetization. It is shown that there is an unstable mode consisting of a rigid shift of the hole in the trapping direction. Its low frequency is determined by the real part of the force balance between the Maxwell stress arising from the transverse wavenumber $k$ and the kinematic jetting from the hole’s acceleration. The very low growth rate arises from a delicate balance in the imaginary part of the force between the passing-particle jetting, which is destabilizing, and the resonant response of the trapped particles, which is stabilizing. Nearly universal scalings of the complex frequency and $k$ with hole depth are derived. Particle in cell simulations show that the slow-growing instabilities previously investigated as coupled hole–wave phenomena occur at the predicted frequency, but with growth rates 2 to 4 times greater than the analytic prediction. This higher rate may be caused by a reduced resonant stabilization because of numerical phase-space diffusion in the simulations.

Physics↗
DOE OSTI2020

Clusters have edges: the projected phase-space structure of SDSS redMaPPer clusters

ABSTRACT We study the distribution of line-of-sight velocities of galaxies in the vicinity of Sloan Digital Sky Survey (SDSS) red-sequence Matched-filter Probabilistic Percolation (redMaPPer) galaxy clusters. Based on their velocities, galaxies can be split into two categories: galaxies that are dynamically associated with the cluster, and random line-of-sight projections. Both the fraction of galaxies associated with the galaxy clusters, and the velocity dispersion of the same, exhibit a sharp feature as a function of radius. The feature occurs at a radial scale Redge ≈ 2.2Rλ, where Rλ is the cluster radius assigned by redMaPPer. We refer to Redge as the ‘edge radius’. These results are naturally explained by a model that further splits the galaxies dynamically associated with a galaxy cluster into a component of galaxies orbiting the halo and an infalling galaxy component. The edge radius Redge constitutes a true ‘cluster edge’, in the sense that no orbiting structures exist past this radius. A companion paper tests whether the ‘halo edge’ hypothesis holds when investigating the full three-dimensional phase-space distribution of dark matter substructures in numerical simulations, and demonstrates that this radius coincides with a suitably defined splashback radius.

79 ASTRONOMY AND ASTROPHYSICS↗