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At least 163 records · Page 9

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DOE OSTI2021

Adiabatic matching of particle bunches in a plasma-based accelerator in the presence of ion motion

Witness beam stability and preservation of its ultra-low emittance have been identified as critical challenges toward realizing a TeV-class, plasma-based linear collider. In fact, the witness bunch parameters required by a future TeV-class collider have been expected to trigger hosing instability and background ion motion, leading to emittance degradation and, potentially, to bunch loss. Recently, it has been shown that ion motion suppresses the hosing instability, and proper longitudinal bunch shaping can eliminate the ion-motion-induced emittance growth. Here, we propose and analyze a plasma-based method to generate the shaped bunches that enable emittance preservation in the presence of ion motion. The method is based on an adiabatic matching procedure, where a bunch with an initially untapered profile is injected in the plasma accelerator stage with an energy low enough that ion motion effects are initially small. As the bunch accelerates, it is adiabatically compressed, ion motion is gradually triggered, and the bunch slowly but continuously readjusts itself in the ion motion-perturbed wakefield acquiring the desired taper. The production of tapered witness bunch profiles that minimize energy spread and preserve emittance for collider-relevant parameters could enable the use of plasma-based accelerators for high-energy physics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Investigation of Needle Motion Profile Effect on Diesel Spray in Near-Nozzle Field

A variety of needle-motion profiles are used in diesel injectors. However, it is unclear what the underlying mechanism is to determine the needle-motion profiles and how they affect the spray dynamics. It has been of significant interest to examine how the spray dynamics will change if only altering the needle valve opening speed or closing speed while all other parameters are kept the same. The different needle-motion profiles were obtained using a piezo nozzle (Nozzle #P) and a solenoid nozzle (Nozzle #S), which have identical nozzle geometry. By utilizing the X-ray imaging technique, it was observed that the average needle valve speed of Nozzle #P was 51% higher at the opening stage but 17% lower at the closing stage than Nozzle #S. When the needle valve lift is low (approximately 200 μm), the needle valve opening speed has a crucial effect on spray dynamics. The faster needle valve opening of Nozzle #P results in a 42% larger spray spreading angle and 34% lower spray velocity at the downstream field. The spray dynamics may be controllable by properly designing the needle-motion profiles in the scenarios of the low needle lifts. However, when the needle valve is sufficiently open (approximately over 200 μm), almost identical spray characteristics were observed regardless of the needle-motion profiles.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Characteristics of Vertical Ground Motions and Their Effect on the Seismic Response of Bridges in the Near-Field: A State-of-the-Art Review

Despite the evidence from past earthquakes and several numerical investigations demonstrating the detrimental impact of vertical ground motions (VGMs) on the integrity of bridge structures, incorporating their effects into seismic assessment and design procedures has traditionally been given limited consideration. Current codes utilize rather simplistic approaches to account for the concurrent effects of vertical and horizontal motions in structural performance evaluations, potentially leading to unconservative estimates of structural demands. This paper reviews the main features of VGMs and their effect on the seismic response of bridges. The methods and empirical models available to estimate vertical motions for design purposes are discussed, and research gaps and related research needs are identified. Finally, the emerging role of physics-based ground-motion simulations, as well as their limitations, in supporting future research and informing the development of simplified design procedures is examined. The main areas of interest for future research are identified in the need to carry out systematic sensitivity studies to gain insight into the main earthquake parameters that influence key VGMs features, understand the influence of soil nonlinearities on VGMs amplitude and frequency content, inform the development of empirical models that cover a range of site conditions and source-to-site distances where current models are poorly constrained, generate arrays of motions to update coherency models to properly inform the analysis of distributed infrastructure, investigate the impulsive character of VGMs, and assess the approximations made in estimating VGMs with 1D site response analyses. Furthermore, specific focus is laid on large-magnitude earthquakes in the near-field.

Asynchronous ground motion↗

DOE OSTI2026

Deployable UHV Pump

This project presents an external motorized actuation system for a deployable ultra-high vacuum (UHV) pump, enabling internal motion without compromising vacuum conditions. All active components remain external due to environmental and space constraints. A motor-driven mechanical feedthrough transfers motion into the pump, supported by a modular, adjustable mounting system that maintains alignment and integrates with existing hardware. CAD modeling and iterative design were used to refine geometry and ensure proper fit. The final design reliably transfers motion while maintaining alignment and structural integrity. Its adjustability improves installation and maintenance, demonstrating a practical solution for actuation in UHV systems.

Remington, Austin [Northern Illinois U.]↗

DOE OSTI2024

Doppler Lidar Motion-Correction (DLMC) Value-Added Product Report

The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) second ARM Mobile Facility (AMF2) Doppler lidar (S/N 0319-160) was deployed on the German ice breaker Polarstern during the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) campaign during 2019-2020 (see Figure 1). This was the first deployment of the new AMF2 Doppler lidar, as well as the first ship-based deployment of a Doppler lidar (DL) by ARM. In contrast to land-based deployments, the lidar’s heading (a.k.a. home point) and tilt are constantly changing, and lidar’s radial velocity measurements are impacted by the ship’s motion. Since the beam directions are reported relative to the instrument’s frame of reference, derivation of higher-order data products such as wind speed and direction require that the lidar’s attitude and translational velocity be properly accounted for. The Doppler Lidar Motion-Correction (DLMC) Value-Added-Product (VAP) was developed specifically for ship-based deployments of the Doppler lidar. This VAP combines raw uncorrected data from the DL and simultaneous measurements from the ARM Navigation system (NAV) (Walton 2019) to transform the beam angles from the lidar coordinate system to an Earth-fixed coordinate system. The VAP also removes the contribution of the lidar’s platform velocity from the radial velocity measurements. This report documents the methods used by the DLMC to perform these corrections.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Conditioned Simulation of Ground-Motion Time Series at Uninstrumented Sites Using Gaussian Process Regression

Ground-motion time series are essential input data in seismic analysis and performance assessment of the built environment. Because instruments to record free-field ground motions are generally sparse, methods are needed to estimate motions at locations with no available ground-motion recording instrumentation. In this study, given a set of observed motions, ground-motion time series at target sites are constructed using a Gaussian process regression (GPR) approach, which treats the real and imaginary parts of the Fourier spectrum as random Gaussian variables. Model training, verification, and applicability studies are carried out using the physics-based simulated ground motions of the 1906 Mw 7.9 San Francisco earthquake and Mw 7.0 Hayward fault scenario earthquake in northern California. Additionally, the method’s performance is further evaluated using the 2019 Mw 7.1 Ridgecrest earthquake ground motions recorded by the Community Seismic Network stations located in southern California. These evaluations indicate that the trained GPR model is able to adequately estimate the ground-motion time series for frequency ranges that are pertinent for most earthquake engineering applications. The trained GPR model exhibits proper performance in predicting the long-period content of the ground motions as well as directivity pulses.

58 GEOSCIENCES↗

DOE OSTI2021

Revisiting AMOC Transport Estimates From Observations and Models

Abstract Reference level assumptions used to calculate the Atlantic meridional overturning circulation transports at the RAPID and Meridional Overturning Variability Experiment (MOVE) observing arrays are revisited in an eddying ocean model. Observational transport calculation methods are complemented by several alternative approaches. At RAPID, the model transports from the observational method and the model truth (based on the actual model velocities) agree well in their mean and variability. There are substantial differences among the transport estimates obtained with various methods at the MOVE site. These differences result from relatively large and time‐varying reference velocities at depth in the model, not supporting a level‐of‐no‐motion. The methods that account for these reference velocities properly at MOVE produce transports that are in good agreement with the model truth. In contrast with the observational estimates, the model transport trends at MOVE and RAPID largely agree with each other on pentadal to multi‐decadal time scales.

Danabasoglu, Gokhan↗

DOE OSTI2024

High-resolution infrared spectroscopy of jet cooled cyclobutyl in the α-CH stretch region: large-amplitude puckering dynamics in a 4-membered ring radical

We report gas-phase cyclobutyl radical (c-C 4 H 7 ) is generated at a rotational temperature of T rot = 26(1) K in a slit-jet discharge mixture of 70% Ne/30% He and 0.5–0.6% cyclobromobutane (c-C 4 H 7 Br). A fully rovibrationally resolved absorption spectrum of the α-CH stretch fundamental band between 3062.9 cm −1 to 3075.7 cm −1 is obtained and analyzed, yielding first precision structural and dynamical information for this novel radical species. The α-CH stretch band origin is determined to be 3068.7887(4) cm −1 , which implies only a modest (≈0.8 cm −1 ) blue shift from rotationally unresolved infrared spectroscopic studies of cyclobutyl radicals in liquid He droplets [ A. R. Brown, P. R. Franke and G. E. Douberly, J. Phys. Chem. A , 2017, 121 , 7576–7587]. Of particular dynamical interest, a one-dimensional potential energy surface with respect to the ring puckering coordinate is computed at CCSD(T)/ANO2 level of theory and reveals a double minimum C s puckered geometry, separated by an exceedingly shallow planar C 2v transition state barrier (E barr ≈ 1 cm −1 ). Numerical solutions on this double minimum potential yield a zero-point energy for the ground state (E zero-point ≈ 27 cm −1 ) greatly in excess of the interconversion barrier. This is indicative of highly delocalized, large amplitude motion of the four-membered ring structure, for which proper vibrationally averaging of the moment of inertia tensor reproduces the experimentally determined inertial defect remarkably well. Finally, intensity alternation in the experimental spectrum due to nuclear spin statistics upon exchange of three indistinguishable H atom pairs (IH = ½) matches K a + K c = even : odd = 36 : 28 predictions, implying that the unpaired electron in the radical center lies in an out-of-plane p π orbital. Thus, high-resolution infrared spectroscopy provides first experimental confirmation of a shallow double minimum ring puckering potential with a highly delocalized ground state wave function peaked at a planar C 2v transition state geometry consistent with a cyclobutyl π radical.

Chemistry↗

DOE OSTI2024

Explicit entropic proofs of irreversibility theorems for holographic RG flows

We revisit the existence of monotonic quantities along renormalization group flows using only the Null Energy Condition and the Ryu-Takayanagi formula for the entanglement entropy of field theories with anti-de Sitter gravity duals. In particular, we consider flows within the same dimension and holographically reprove the c-, F -, and a-theorems in dimensions two, three, and four. We focus on the family of maximally spherical entangling surfaces, define a quasi-constant of motion corresponding to the breaking of conformal invariance, and use a properly defined distance between minimal surfaces to construct a holographic c-function that is monotonic along the flow. We then apply our method to the case of flows across dimensions: there, we reprove the monotonicity of flows from AdS D+1 to AdS 3 and prove the novel case of flows from AdS 5 to AdS 4 .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Reversible motions and disordered structure of soft particles in amorphous solids

In amorphous solids, soft vibrational modes derived from normal mode analysis can be utilized to identify the soft particles that are prone to irreversible rearrangements. However, the normal mode analysis approach cannot explain why the spatial distributions of clustered soft particles do not change over time. We define a softness parameter based on the vibrational density of states calculated directly from molecular dynamics simulations with both the harmonic vibrations and anharmonic relaxations being properly captured at finite temperatures. This parameter spontaneously correlates with the real space atomic motions and the dynamics heterogeneity. Using the softness parameter, we show that the softest particles are confined within rigid cages. These particles keep rearranging reversibly without long-range diffusion. The moderately soft particles rearrange irreversibly, and the hard particles mainly participate in vibrations without rearrangement. Here, we also show that the soft particles form locally disordered structures, while the hard particles present strong ordering. These findings confirm the defective nature of soft particles, and provide insights on the nature of softness as the ability to rearrange, but not necessarily irreversibly.

36 MATERIALS SCIENCE↗

DOE OSTI2021

An LES study of secondary motion and wall shear stresses in a pipe bend

In this study, large-eddy simulations (LES) of a single-phase, turbulent flow in a 90 ° pipe bend are performed at three Reynolds numbers (5300, 27 000, and 45 000) to investigate the correlation between secondary flow motion and wall shear stresses, which is suspected to be a potential mechanism responsible for material erosion. The isothermal flows are validated against available experimental and numerical data first. The snapshot proper orthogonal decomposition (POD) is applied for the medium and high Reynolds number flows to identify the secondary flow motions and the oscillation of the Dean vortices that are found to cause swirl-switching. Distinguished frequencies of the POD time coefficients at Strouhal numbers of 0.25 and 0.28 are identified for Reynolds numbers at 27 000 and 45 000, respectively. Moreover, shear stress on the pipe wall and the associated power spectral density are obtained and shown to have the same oscillating frequency as the swirl-switching.

42 ENGINEERING↗

DOE OSTI2021

A fast multi-fidelity method with uncertainty quantification for complex data correlations: Application to vortex-induced vibrations of marine risers

Here we develop a fast multi-fidelity modeling method for very complex correlations between high- and low-fidelity data by working in modal space to extract the proper correlation function. We apply this method to infer the amplitude of motion of a flexible marine riser in cross-flow, subject to vortex-induced vibrations (VIV). VIV are driven by an absolute instability in the flow, which imposes a frequency (Strouhal) law that requires a matching with the impedance of the structure; this matching is easily achieved because of the rapid parametric variation of the added mass force. As a result, the wavenumber of the riser spatial response is within narrow bands of uncertainty. Hence, an error in wavenumber prediction can cause significant phase-related errors in the shape of the amplitude of response along the riser, rendering correlation between low- and high-fidelity data very complex. Working in modal space as outlined herein, dense data from low-fidelity data, provided by the semi-empirical computer code VIVA, can correlate in modal space with few high-fidelity data, obtained from experiments or fully-resolved CFD simulations, to correct both phase and amplitude and provide predictions that agree very well overall with the correct shape of the amplitude response. We also quantify the uncertainty in the prediction using Bayesian modeling and exploit this uncertainty to formulate an active learning strategy for the best possible location of the sensors providing the high fidelity measurements.

42 ENGINEERING↗

DOE OSTI2020

The strong influence of Ti, Zr, Hf solutes and their oxidation on microstructure and performance of Nb 3 Sn superconductors

The strong influence of Ti, Zr, Hf solutes and their oxidation on microstructure and performance of Nb 3 Sn superconductors Over the last few years a new type of Nb 3 Sn superconducting composite based on the internal oxidation approach has emerged and has demonstrated performance significantly superior to conventional Nb 3 Sn. It requires a supply of O and the use of a Nb alloy – Nb-X, where X is a solute element that can be selectively oxidized to form oxide particles within the Nb 3 Sn. Such oxide particles not only refine Nb 3 Sn grain size, but also have the proper size to act as artificial pinning centers (APC) directly restraining fluxon motion, and thus dramatically improve superconducting properties. In this article we show that the size and volume fraction of the oxide particles determine both the levels of grain refinement and the shift in the peak field of the flux pinning force (F p -B) curve. Additionally, we explore the factors influencing these microstructure and properties, which we find include: selection of the solute element X, solute content, O content, and heat treatment. For the selection of X, we searched the periodic table for all promising candidates but focused down on the group-IVB elements (Ti, Zr, Hf) here as the drawability of Nb 3 Sn wires made from Nb-Ti, Nb-Zr, and Nb-Hf alloys has been demonstrated in the past few decades. We found that while internally oxidizing Nb-1.5at.%Ti led to negligible grain refinement and F p -B peak shift, Nb-Zr alloys led to much more dramatic results, and internally oxidizing Nb-Hf alloys led to the strongest grain refinement and F p -B peak shift. For Hf alloying in particular, we compared our internal oxidation method with another method for grain refinement, which uses Hf alloying itself without oxidation, and found that internal oxidation led to much stronger grain refinement and F p -B peak shift. We also found that higher solute content and lower reaction temperature led to stronger grain refinement and F p -B peak shift. We conclude with a discussion of the possible mechanisms for the influence of these factors.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Aero-thermal numerical characterization of blunt fin-induced shock wave–boundary layer interaction and its control through leading-edge cooling injection

This study represents a novel evaluation of active flow control to alleviate the aerothermal penalties created by the blunt fin-induced shock wave–boundary layer interaction. The manuscript analyzes the effect of flow injection on a blunt fin-induced shock wave–boundary layer interaction via computational fluid dynamics simulations with various degrees of resolution. The impact on the mean flow topology and wall variables was investigated utilizing Reynolds-averaged Navier–Stokes simulations. Detached-eddy simulations revealed the low-frequency shock motion, shock wave–boundary layer, and horseshoe vortex interaction. The test article was exposed to two different incoming boundary layer thicknesses; the thicker boundary layer led to the appearance of larger turbulent scales. The Detached-eddy simulations revealed the time history of the shock wave–boundary layer interaction, focusing on the inception and development of the recirculated flow regions. Ultimately, spectral proper orthogonal decomposition was employed to identify the structures associated with the low-frequency shock motion caused by the shock wave–boundary layer interaction.

Lozano, Francisco (ORCID:0000000277871125)↗

DOE OSTI2022

On the meaning of Berry force for unrestricted systems treated with mean-field electronic structure

We show that the Berry force as computed by an approximate, mean-field electronic structure can be meaningful if properly interpreted. In particular, for a model Hamiltonian representing a molecular system with an even number of electrons interacting via a two-body (Hubbard) interaction and a spin–orbit coupling, we show that a meaningful nonzero Berry force emerges whenever there is spin unrestriction—even though the Hamiltonian is real-valued and formally the on-diagonal single-surface Berry force must be zero. Moreover, if properly applied, this mean-field Berry force yields roughly the correct asymptotic motion for scattering through an avoided crossing. That being said, within the context of a ground-state calculation, several nuances do arise as far interpreting the Berry force correctly, and as a practical matter, the Berry force diverges near the Coulson–Fischer point (which can lead to numerical instabilities). Here, we do not address magnetic fields here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Validation of Fault Displacements from Dynamic Rupture Simulations against the Observations from the 1992 Landers Earthquake

ABSTRACT Coseismic fault displacements in large earthquakes have caused significant damage to structures and lifelines on and near fault lines. Coseismic displacements represent a real threat, especially to distributed infrastructure systems. For infrastructure systems that can not avoid active faults, engineering displacement demands are defined using probabilistic fault-displacement hazard analyses (PFDHA). However, PFDHA models are sparse and poorly constrained partly due to the scarcity of detailed fault-displacement observations. Advancements in dynamic rupture simulation methods make them an attractive approach to address this important issue. Because fault displacements can be simulated for various geologic conditions as constrained by current knowledge about earthquake processes, they can be used to supplement the observation datasets. In addition to providing on-fault displacements, when used with appropriate constitutive models for the bulk medium, they can capture off-fault distributed inelastic deformations as well. For viable extrapolation, simulations must first be validated against data. In this article, we summarize the calibration and validation of the dynamic rupture model against the observations of the well-documented 1992 Landers earthquake. We defined a preferred model that reproduces several first-order fault-displacement metrics such as the on-fault partition of the total displacement, the mean fault-zone width, and the location of the peak displacement. Simulated ground motions consistent with the observations ensure that all physics important to modeling have been properly parameterized. For the extrapolation, we generated a suite of dynamic rupture models to quantify expected fault-displacement metrics, their intercorrelations, and magnitude dependencies, which are in part supported by the Landers and other recent earthquakes. Our validation and extrapolation exercise paves the way for using dynamic rupture modeling to quantitatively address fault-displacement hazard on a broader scale. The results are promising and are expected to be useful to inform PFDHA model development.

Geochemistry & Geophysics↗

DOE OSTI2020

From synchrotrons for XFELs: the soft x-ray near-edge spectrum of the ESCA molecule

A predictive understanding of soft x-ray near-edge absorption spectra of small molecules is an enduring theoretical challenge and of current interest for x-ray probes of molecular dynamics. We report the experimental absorption spectrum for the electron spectroscopy for chemical analysis (ESCA) molecule (ethyl trifluoroacetate) near the carbon 1s absorption edge between 285-300 eV. Furthermore, the ESCA molecule with four chemically distinct carbon sites has previously served as a theoretical benchmark for photoelectron spectra and now for photoabsorption spectra. We report a simple edge-specific approach for systematically expanding standard basis sets to properly describe diffuse Rydberg orbitals and the importance of triple excitations in equation-of-motion coupled-cluster calculations of the energy interval between valence and Rydberg excitations.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Long range frequency chirping of Alfvén eigenmodes

In this work, a theoretical framework has been developed for an NBI scenario to model the hard non-linear evolution of global Alfvén eigenmodes (GAEs) where the adiabatic motion of phase-space structures (holes and clumps), associated with frequency chirping, occurs in generalized phase-space of slowing down energetic particles. The radial profile of the GAE is expanded using finite elements, which allows an update of the mode structure as the mode frequency chirps. Constants of motion are introduced to track the dynamics of energetic particles during frequency chirping by implementing proper action-angle variables and canonical transformations which reduce the dynamics essentially to 1D. Consequently, we specify whether the particles are drifting inward/outward as the frequency deviates from the initial MHD eigenfrequency. Using the principle of least action, we have derived the non-linear equation describing the evolution of the radial profile by varying the total Lagrangian of the system with respect to the weights of the finite elements. For the choice of parameters in this work, it is shown that the peak of the radial profile is shifted and also broadens due to frequency chirping. The time rate of frequency change is also calculated using the energy balance and we show that the adiabatic condition remains valid once it is satisfied. This model clearly illustrates the theoretical treatment to study the long-range adiabatic frequency sweeping events observed for Alfvén gap modes in real experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗