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At least 649 records · Page 36

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DOE OSTI2014

Large Deviation Methods for the Analysis and Design of Monte Carlo Schemes in Physics and Chemistry. Final Technical Report

This proposal is concerned with applications of Monte Carlo to problems in physics and chemistry where rare events degrade the performance of standard Monte Carlo. One class of problems is concerned with computation of various aspects of the equilibrium behavior of some Markov process via time averages. The problem to be overcome is that rare events interfere with the efficient sampling of all relevant parts of phase space. A second class concerns sampling transitions between two or more stable attractors. Here, rare events do not interfere with the sampling of all relevant parts of phase space, but make Monte Carlo inefficient because of the very large number of samples required to obtain variance comparable to the quantity estimated. The project uses large deviation methods for the mathematical analyses of various Monte Carlo techniques, and in particular for algorithmic analysis and design. This is done in the context of relevant application areas, mainly from chemistry and biology.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

The application of complex network time series analysis in turbulent heated jets

In the present study, we applied the methodology of the complex network-based time series analysis to experimental temperature time series from a vertical turbulent heated jet. More specifically, we approach the hydrodynamic problem of discriminating time series corresponding to various regions relative to the jet axis, i.e., time series corresponding to regions that are close to the jet axis from time series originating at regions with a different dynamical regime based on the constructed network properties. Applying the transformation phase space method (k nearest neighbors) and also the visibility algorithm, we transformed time series into networks and evaluated the topological properties of the networks such as degree distribution, average path length, diameter, modularity, and clustering coefficient. The results show that the complex network approach allows distinguishing, identifying, and exploring in detail various dynamical regions of the jet flow, and associate it to the corresponding physical behavior. In addition, in order to reject the hypothesis that the studied networks originate from a stochastic process, we generated random network and we compared their statistical properties with that originating from the experimental data. As far as the efficiency of the two methods for network construction is concerned, we conclude that both methodologies lead to network properties that present almost the same qualitative behavior and allow us to reveal the underlying system dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Beyond RMS: Understanding the Evolution of Beam Distributions in High Intensity Linacs

Understanding the evolution of beams with space charge is crucial to design and operation of high intensity linacs. While the community holds a broad understanding of the mechanisms leading to emittance growth and halo formation, there is outstanding discrepancy between measurements and beam evolution models that precludes prediction of halo losses. This may be due in part to insufficient information of the initial beam distribution. This talk will describe work at the SNS Beam Test Facility to directly measure the 6D beam distribution. Full-and-direct 6D measurement has revealed hidden but physically significant dependence between the longitudinal distribution and transverse coordinates. This nonlinear correlation is driven by space charge and reproduced by self-consistent simulation of the RFQ. Omission of this interplane correlation, common when bunches are reconstructed from lower-dimensional measurements, degrades downstream predictions. This talk will also describe the novel diagnostics supporting this work. This includes ongoing improvements to efficiency of the 6D phase space measurement as well as recent achievement of six orders of dynamic range in 2D phase space.

Ruisard, Kiersten↗

DOE OSTI2021

An Eulerian Vlasov-Fokker–Planck algorithm for spherical implosion simulations of inertial confinement fusion capsules

Here, we present a numerical algorithm that enables a phase-space adaptive Eulerian Vlasov–Fokker–Planck (VFP) simulation of inertial confinement fusion (ICF) capsule implosions. The approach relies on extending a recent mass, momentum, and energy conserving phase-space moving-mesh adaptivity strategy to spherical geometry. In configuration space, we employ a mesh motion partial differential equation (MMPDE) strategy while, in velocity space, the mesh is expanded/contracted and shifted with the plasma’s evolving temperature and drift velocity. The mesh motion is dealt with by transforming the underlying VFP equations into a computational (logical) coordinate, with the resulting inertial terms carefully discretized to ensure conservation. To deal with the spatial and temporally varying dynamics in a spherically imploding system, we have developed a novel nonlinear stabilization strategy for MMPDE in the configuration space. The strategy relies on a nonlinear optimization procedure that optimizes between mesh quality and the volumetric rate change of the mesh to ensure both accuracy and stability of the solution. Implosions of ICF capsules are driven by several boundary conditions: (1) an elastic moving wall boundary; (2) a time-dependent Maxwellian Dirichlet boundary; and (3) a pressure-driven Lagrangian boundary. Of these, the pressure-driven Lagrangian boundary driver is new to our knowledge. The implementation of our strategy is verified through a set of test problems, including the Guderley and Van-Dyke implosion problems — the first-ever reported using a Vlasov–Fokker–Planck model.

1D2V↗

DOE OSTI2024

Shearless effective barriers to chaotic transport induced by even twin islands in nontwist systems

For several decades now it has been known that systems with shearless invariant tori, nontwist Hamiltonian systems, possess barriers to chaotic transport. These barriers are resilient to breakage under perturbation and therefore regions where they occur are natural places to look for barriers to transport. Here we describe a kind of effective barrier that persists after the shearless torus is broken. Because phenomena are generic, for convenience we study the standard nontwist map (SNM), an area-preserving map that violates the twist condition locally in the phase space. The barrier occurs in nontwist systems when twin even period islands are present, which happens for a broad range of parameter values in the SNM. With a phase space composed of regular and irregular orbits, the movement of chaotic trajectories is hampered by the existence of shearless curves, total barriers, and a network of partial barriers formed by the stable and unstable manifolds of the hyperbolic points. Being a degenerate system, the SNM has twin islands and, consequently, twin hyperbolic points. We show that the structures formed by the manifolds intrinsically depend on period parity of the twin islands. For this even scenario the structure that we call a torus free barrier occurs because the manifolds of different hyperbolic points form an intricate chain atop a dipole configuration and the transport of chaotic trajectories through the chain becomes a rare event. This structure impacts the emergence of transport, the escape basin for chaotic trajectories, the transport mechanism, and the chaotic saddle. The case of odd periodic orbits is different: we find for this case the emergence of transport immediately after the breakup of the last invariant curve, and this leads to a scenario of higher transport, with intricate escape basin boundary and a chaotic saddle with nonuniformly distributed points.

classical mechanics↗

DOE OSTI2023

Exact Maps to Second Order for Selected Elements in MAD-X Variables

This report presents calculations for exact maps to second order about an arbitrary orbit for certain elements: drifts, solenoids, and rotations about a transverse axis. These expressions were used in recent updates to MAD-X, and thus the phase space variables used are those of MAD-X. Formulas are given here for the final orbit and its first and second derivatives with respect to the incoming phase space coordinates for a drift, solenoid, and coordinate system rotations about transverse axes. I do not claim these results to be new: these expressions are well-known and are presented here only for reference. This document does not collect all maps that could be expressed exactly, in particular dipoles are omitted.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Extraction of Drell-Yan Angular Parameters in $pp$ Collisions with a 120 GeV Beam Energy Using a Deep-Learning Unfolding Algorithm

Dilepton production in pp collisions through the Drell-Yan process provides a crucial tool for studying the internal quark-gluon structure of the nucleon. By precisely measuring the $\cos2\phi$ asymmetry, where $\phi$ represents the azimuthal angle of the $l^{+}l^{-}$ pair in the Collins-Soper frame, we can gain valuable insights into the proton’s structure and the transverse momentum ($q_{T}$) dependence of the $\cos2\phi$ asymmetry. SeaQuest, a fixed-target Drell-Yan experiment at Fermilab, involved an unpolarized proton beam colliding with unpolarized LH$_{2}$ and LD$_{2}$ targets. Measurements obtained from experiments typically require corrections for detector ineﬀiciencies, smearing, and acceptance. Traditionally, these corrections involve “unfolding” the detector-level measurements through matrix operations. However, in higher-dimensional phase space, these conventional methods fail to scale effectively. To overcome these limitations, we employ an unbinned unfolding method that utilizes deep neural networks for unfolding higher-dimensional phase space. In this presentation, we will explain the design of the neural network architecture, our training strategies, and outline our plans to achieve conclusive results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Non-ergodic extended phase of the Quantum Random Energy model

The concept of non-ergodicity in quantum many body systems can be discussed in the context of the wave functions of the many body system or as a property of the dynamical observables, such as time-dependent spin correlators. In the former approach the non-ergodic delocalized state is defined as the one in which the wave functions occupy a volume that scales as a non-trivial power of the full phase space. In this work we study the simplest spin glass model and find that in the delocalized non-ergodic regime the spin–spin correlators decay with the characteristic time that scales as non-trivial power of the full Hilbert space volume. The long time limit of this correlator also scales as a power of the full Hilbert space volume. We identify this phase with the glass phase whilst the many body localized phase corresponds to a ’hyperglass’ in which dynamics is practically absent. We discuss the implications of these findings to quantum information problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

Rapid Loss of Radiation Belt Relativistic Electrons by EMIC Waves

How relativistic electrons are lost is an important question surrounding the complex dynamics of the Earth's outer radiation belt. Radial loss to the magnetopause and local loss to the atmosphere are two main competing paradigms. Here on the basis of the analysis of a radiation belt storm event on 27 February 2014, we present new evidence for the electromagnetic ion cyclotron (EMIC) wave-driven local precipitation loss of relativistic electrons in the heart of the outer radiation belt. During the main phase of this storm, the radial profile of relativistic electron phase space density was quasi-monotonic, qualitatively inconsistent with the prediction of radial loss theory. The local loss at low L shells was required to prevent the development of phase space density peak resulting from the radial loss process at high L shells. The rapid loss of relativistic electrons in the heart of outer radiation belt was observed as a dip structure of the electron flux temporal profile closely related to intense EMIC waves. Our simulations further confirm that the observed EMIC waves within a quite limited longitudinal region were able to reduce the off-equatorially mirroring relativistic electron fluxes by up to 2 orders of magnitude within about 1.5 h.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

GalaxyFlow: upsampling hydrodynamical simulations for realistic mock stellar catalogues

ABSTRACT Cosmological N-body simulations of galaxies operate at the level of ‘star particles’ with a mass resolution on the scale of thousands of solar masses. Turning these simulations into stellar mock catalogues requires ‘upsampling’ the star particles into individual stars following the same phase-space density. In this paper, we introduce two new upsampling methods. First, we describe GalaxyFlow, a sophisticated upsampling method that utilizes normalizing flows to both estimate the stellar phase-space density and sample from it. Secondly, we improve on existing upsamplers based on adaptive kernel density estimation (KDE), using maximum likelihood estimation to fine-tune the bandwidth for such algorithms in a way that improves both the density estimation accuracy and upsampling results. We demonstrate our upsampling techniques on a neighbourhood of the Solar location in two simulated galaxies: Auriga 6 and h277. Both yield smooth stellar distributions that closely resemble the stellar densities seen in the Gaia DR3 catalogue. Furthermore, we introduce a novel multimodel classifier test to compare the accuracy of different upsampling methods quantitatively. This test confirms that GalaxyFlow more accurately estimates the density of the underlying star particles than methods based on KDE, at the cost of being more computationally intensive.

Lim, Sung Hak (ORCID:0000000330981092)↗

DOE OSTI2018

Wave kinetics of drift-wave turbulence and zonal flows beyond the ray approximation

Inhomogeneous drift-wave turbulence can be modeled as an effective plasma where drift waves act as quantumlike particles and the zonal-flow velocity serves as a collective field through which they interact. This effective plasma can be described by a Wigner-Moyal equation (WME), which generalizes the quasilinear wave-kinetic equation (WKE) to the full-wave regime, i.e., resolves the wavelength scale. Unlike waves governed by manifestly quantumlike equations, whose WMEs can be borrowed from quantum mechanics and are commonly known, drift waves have Hamiltonians very different from those of conventional quantum particles. This causes unusual phase-space dynamics that is typically not captured by the WKE. We demonstrate how to correctly model this dynamics with the WME instead. Specifically, we report full-wave phase-space simulations of the zonal-flow formation (zonostrophic instability), deterioration (tertiary instability), and the so-called predator-prey oscillations. We also show how the WME facilitates analysis of these phenomena, namely, (i) we show that full-wave effects critically affect the zonostrophic instability, particularly its nonlinear stage and saturation; (ii) we derive the tertiary-instability growth rate; and (iii) we demonstrate that, with full-wave effects retained, the predator-prey oscillations do not require zonal-flow collisional damping, contrary to previous studies. In conclusion, we also show how the famous Rayleigh-Kuo criterion, which has been missing in wave-kinetic theories of drift-wave turbulence, emerges from the WME.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Shortened Booster Bunch Lengths

Booster typically produces beam bunches that have a phase space profile with a low momentum spread but high time spread, correlating to longer bunch lengths. The goal of this study is to produce beam bunches that have a phase space profile with a high momentum spread but low time spread or narrow bunch lengths. This can be achieved by slowly increasing the RF cavities amplitudes (Adiabatic Excitation) or by oscillating the amplitudes (Quadratic Bunch Rotation, QBR) until the desired bunch lengths are achieved. Results show that when shortening the bunches using QBR, it showed the bunches had a length of 0.6ns (within 1 sigma) but beam losses were being incurred in the 8 GeV line which were a result of beam dispersion.

Abdelhamid, Maan↗

DOE OSTI2018

A Non-Parametric Density Estimation Approach to Measuring Beam Cooling in MICE

The goal of the international Muon Ionization Cooling Experiment (MICE) is to demonstrate muon beam ionization cooling for the first time. It constitutes a key part of the R&D towards a future neutrino factory or muon collider. The intended MICE precision requires the development of analysis tools that can account for any effects (e.g., optical aberrations) which may lead to inaccurate cooling measurements. Non-parametric density estimation techniques, in particular, kernel density estimation (KDE), allow very precise calculations of the muon beam phase-space density and its increase as a result of cooling. In this study, kernel density estimation technique and its application to measuring the reduction in MICE muon beam phase-space volume is investigated.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Shortened Booster Bunch Lengths

Abdelhamid, Maan↗

DOE OSTI2026

Uncertainty-Driven Rapid Thermodynamic Assessment of Nb-Ta-Zr System and Effects of C impurities (L25GF9298S): Annual Progress Report

An integrated computational materials engineering (ICME) method is in development for rapid thermodynamic experimental investigation and high-fidelity computational modeling of refractory multi-principal element alloys (RMPEAs). These ultra-high-temperature (UHT) alloys are of interest for structural applications in extreme environments, but deficiency of reliable data, especially melting temperatures, impedes the prediction of alloys with favorable properties. The method leverages UHT capabilities and computational expertise of LLNL’s Materials Science Division and the McCormack Lab’s UHT conical nozzle levitation (CNL) system to iteratively map the Nb-Ta-Zr phase space, with focus on the liquidus surface, through targeted experiments selected by quantifying uncertainty in the thermodynamic model fitting parameters. This method will reduce the time to map uncharted RMPEA phase space and thereby accelerate discovery and development of advanced materials for applications in extreme environments.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Complementary Probes of Dark Energy using Galaxy Clusters

Here, we have built a framework to constrain Dark Energy (DE) using the spatial distributions, number counts, and escape velocities of galaxy clusters in the context of next generation spectroscopic surveys. In the ΛCDM paradigm, galaxy clusters trace the expansion of the Universe in three different ways. (1.) Spatial distribution:The baryon acoustic oscillations (BAO) formed during recombination are imprinted into the spatial distribution of clusters. The locations of the BAO are standard-rulers which map the length-scale of the sound horizon. Statistical measures like the two-point correlation function and the power spectrum can be used to trace the scale of the BAO and thus the expansion history of the Universe.(2.) Number counts: Galaxy clusters are identified as peaks above a threshold in the underlying matter density field. Galaxies attract onto these peaks over time until gravity loses the battle against the accelerating expansion of space. The number and mass of galaxy clusters over time is sensitive to the strength of the DE and the amount of matter in the Universe.(3.) Escape velocity:The radius-velocity phase-space of galaxies within clusters has a sharp edge which traces the escape velocity of galaxies. This escape velocity is a combination of the local Newtonian gravitational potential and the acceleration of the expansion of the Universe. Weak lensing mass profiles of clusters can be used to predict the escape velocity profile from just the gravitational Newtonian component. In an expanding or contracting Universe, the observed phase-space escape velocity surface would be modified from this prediction.We built the large-scale structure covariances from mock catalogs which we can now use in the likelihood analyses to constrain Dark Energy models. We have developed the analytical framework to conduct the joint likelihood analysis of the bias function and the abundance function in order to constrain DE through their redshift evolution.We have investigated a new Dark Energy test that uses the weak lensing prediction of the grav-itational potential compared to the observed escape velocity profile from galaxy clusters. We have made predictions on the improvement in the Dark Energy figure-of-merit from this new test. We have also investigated the predicted enhancements of the cluster escape velocity profiles from modifi-cations to gravity. This effort can help rule out model classes of modified gravity as alternatives to Dark Energy.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Contact symmetries and Hamiltonian thermodynamics

It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Evaluating diffusion and the thermodynamic factor for binary ionic mixtures

Molecular dynamics (MD) simulations are a powerful tool for the calculation of transport properties in mixtures. Not only are MD simulations capable of treating multicomponent systems, they are also applicable over a wide range of temperatures and densities. In plasma physics, this is particularly important for applications such as inertial confinement fusion. While many studies have focused on the effect of plasma coupling on transport properties, here we focus on the effects of mixing. We compute the thermodynamic factor, a measure of ideal/non-ideal mixing, for three binary ionic mixtures. Here, we consider mixtures of hydrogen and carbon, hydrogen and argon, and argon and carbon, each at 500 randomly generated state points in the warm dense matter and plasma regimes. The calculated thermodynamic factors indicate different mixing behavior across phase space, which can significantly affect the corresponding mutual diffusion coefficients. As MD simulations are still computationally expensive, we apply modern data science tools to predict the thermodynamic factor over a large phase space. Further, we propose a more accurate approximation to the mutual diffusion coefficient than the commonly applied Darken relation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗