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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Attosecond inner-shell lasing at ångström wavelengths

Since the invention of the laser, nonlinear effects such as filamentation, Rabi cycling and collective emission have been explored in the optical regime, leading to a wide range of scientific and industrial applications. X-ray free-electron lasers (XFELs) have extended many optical techniques to X-rays for their advantages of ångström-scale spatial resolution and elemental specificity. An example is XFEL-driven inner-shell Kα 1 (2p 3/2 → 1s 1/2 ) X-ray lasing in elements ranging from neon to copper, which has been used for nonlinear spectroscopy and development of new X-ray laser sources. Here, in this study, we show that strong lasing effects similar to those in the optical regime can occur at 1.5–2.1 Å wavelengths during high-intensity (>10 19 W cm −2 ) XFEL-driven Kα 1 lasing of copper and manganese. Depending on the temporal XFEL pump pulse substructure, the resulting X-ray pulses (about 10 6 −10 8 photons) can exhibit strong spatial inhomogeneities and spectral splitting, inhomogeneities and broadening. Three-dimensional Maxwell–Bloch calculations show that the observed spatial inhomogeneities result from X-ray filamentation and that the broad spectral features are driven by sub-femtosecond Rabi cycling. Our simulations indicate that these X-ray pulses can have pulse lengths of less than 100 attoseconds and coherence properties that provide opportunities for quantum X-ray optics applications.

47 OTHER INSTRUMENTATION↗
DOE OSTI2014

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

The spectroscopy of amide I vibrations has become a powerful tool for exploring protein structure and dynamics. To help with spectral interpretation, it is often useful to perform molecular dynamics (MD) simulations. To connect spectroscopic experiments to simulations in an efficient manner, several researchers have proposed “maps,” which relate observables in classical MD simulations to quantum spectroscopic variables. It can be difficult to discern whether errors in the theoretical results (compared to experiment) arise from inaccuracies in the MD trajectories or in the maps themselves. In this work, we evaluate spectroscopic maps independently from MD simulations by comparing experimental and theoretical spectra for a single conformation of the α-helical model peptide Ac-Phe-(Ala){sub 5}-Lys-H{sup +} in the gas phase. Conformation-specific experimental spectra are obtained for the unlabeled peptide and for several singly and doubly {sup 13}C-labeled variants using infrared-ultraviolet double-resonance spectroscopy, and these spectra are found to be well-modeled by density functional theory (DFT) calculations at the B3LYP/6-31G** level. We then compare DFT results for the deuterated and {sup 13}C{sup 18}O-labeled peptide with those from spectroscopic maps developed and used previously by the Skinner group. We find that the maps are typically accurate to within a few cm{sup −1} for both frequencies and couplings, having larger errors only for the frequencies of terminal amides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Demonstration of a Long Pulse X-ray Source at the National Ignition Facility

A long duration high fluence x-ray source has been developed at the National Ignition Facility (NIF). The target was a 14.4 mm tall, 4.1 mm diameter, epoxy walled, gas filled pipe. Approximately 1.34 MJ from the NIF laser was used to heat the mixture of (55:45) Kr:Xe at 1.2 atm (~5.59 mg/cm 3 ) to emit in a fairly isotropic radiant intensity of 400–600 GW/sr from the E photon = 3–7 keV spectral range for a duration of ≈ 14 ns. Lastly, the HYDRA simulated radiant intensities were in reasonable agreement with experiments but deviated at late times.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Simulations and models for the Richtmyer–Meshkov instability with broadband perturbations

The Richtmyer–Meshkov instability (RMI) is shock driven and affects many phenomena from inertial fusion to supernova explosions. The behavior of single-modes in the RMI has been studied extensively but less is known with the broadband perturbations that occur in applications. Here, we describe extensive numerical simulations and modeling of the RMI with broadband perturbations with an initial power spectrum of the form P ∝ km, where k is the wavenumber. The hydrodynamic condition is the same as in the θ-Group Collaboration [Thornber et al., “Late-time growth rate, mixing, and anisotropy in the multimode narrowband Richtmyer–Meshkov instability: The θ-group collaboration,” Phys. Fluids 29, 105107 (2017)] with a Mach ∼1.86 shock and gamma-law = 5/3 fluids with Atwood number A = −0.5. The bubble amplitude hB is found to grow in two stages. Initially, hB undergoes a phase-inversion and grows linearly in time (t) at a rate consistent with a linear theory. Asymptotically, hB grows as a power law ∼tθ when k|hB| > O(1), where k is the average wavenumber for the initial spectrum. The RMI behavior in simulations and modeling agree over a wide range of exponent m, spectral width, initial amplitude, and time. The agreement is quantified objectively using statistical analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Population inversion X-ray laser oscillator

Oscillators are at the heart of optical lasers, providing stable, transform-limited pulses. Until now, laser oscillators have been available only in the infrared to visible and near-ultraviolet (UV) spectral region. In this paper, we present a study of an oscillator operating in the 5- to 12-keV photon-energy range. We show that, using the Kα 1 line of transition metal compounds as the gain medium, an X-ray free-electron laser as a periodic pump, and a Bragg crystal optical cavity, it is possible to build X-ray oscillators producing intense, fully coherent, transform-limited pulses. As an example, we consider the case of a copper nitrate gain medium generating ~ 5 × 10 10 photons per pulse with 37-fs pulse length and 48-meV spectral resolution at 8-keV photon energy. Our theoretical study and simulation of this system show that, because of the very large gain per pass, the oscillator saturates and reaches full coherence in four to six optical-cavity transits. We discuss the feasibility and design of the X-ray optical cavity and other parts of the oscillator needed for its realization, opening the way to extend X-ray–based research beyond current capabilities.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Global seismic attenuation imaging using full-waveform inversion: a comparative assessment of different choices of misfit functionals

We present the results of synthetic tests that aim at evaluating the relative performance of three different definitions of misfit functionals in the context of 3-D imaging of shear wave attenuation in the earth’s upper mantle at the global scale, using long-period full-waveform data. The synthetic tests are conducted with simple hypothetical upper-mantle models that contain Q μ anomalies centred at different depths and locations, with or without additional seismic velocity anomalies. To build synthetic waveform data sets, we performed simulations of 50 events in the hypothetical (target) models, using the spectral element method, filtered in the period range 60–400 s. The selected events are chosen among 273 events used in the development of radially anisotropic model SEMUCB-WM1 and recorded at 495 stations worldwide. The synthetic Z-component waveforms correspond to paths and time intervals (fundamental mode and overtone Rayleigh waves) that exist in the real waveform data set. The inversions for shear attenuation structure are carried out using a Gauss–Newton optimization scheme in which the gradient and Hessian are computed using normal mode perturbation theory. The three different misfit functionals considered are based on time domain waveform (WF) and waveform envelope (E-WF) differences, as well as spectral amplitude ratios (SA), between observed and predicted waveforms. We evaluate the performance of the three misfit functional definitions in the presence of seismic noise and unresolved S-wave velocity heterogeneity and discuss the relative importance of physical dispersion effects due to 3-D Q μ structure. We observed that the performance of WF is poorer than the other two misfit functionals in recovering attenuation structure, unless anelastic dispersion effects are taken into account in the calculation of partial derivatives. WF also turns out to be more sensitive to seismic noise than E-WF and SA. Overall, SA performs best for attenuation imaging. Our tests show that it is important to account for 3-D elastic effects (focusing) before inverting for Q μ . Additionally, we show that including high signal-to-noise ratio overtone wave packets is necessary to resolve Q μ structure at depths greater than 250 km.

58 GEOSCIENCES↗
DOE OSTI2022

Delensing the CMB with the cosmic infrared background: the impact of foregrounds

ABSTRACT The most promising avenue for detecting primordial gravitational waves from cosmic inflation is through measurements of degree-scale cosmic microwave background (CMB) B-mode polarization. This approach must face the challenge posed by gravitational lensing of the CMB, which obscures the signal of interest. Fortunately, the lensing effects can be partially removed by combining high-resolution E-mode measurements with an estimate of the projected matter distribution. For near-future experiments, the best estimate of the latter will arise from co-adding internal reconstructions (derived from the CMB itself) with external tracers such as the cosmic infrared background (CIB). In this work, we characterize how foregrounds impact the delensing procedure when CIB intensity, I, is used as the matter tracer. We find that higher point functions of the CIB and Galactic dust such as 〈BEI〉c and 〈EIEI〉c can, in principle, bias the power spectrum of delensed B-modes. To quantify these, we first estimate the dust residuals in currently available CIB maps and upcoming, foreground-cleaned Simons Observatory CMB data. Then, using non-Gaussian simulations of Galactic dust – extrapolated to the relevant frequencies, assuming the spectral index of polarized dust emission to be fixed at the value determined by Planck – we show that the bias to any primordial signal is small compared to statistical errors for ground-based experiments, but might be significant for space-based experiments probing very large angular scales. However, mitigation techniques based on multifrequency cleaning appear to be very effective. We also show, by means of an analytical model, that the bias arising from the higher point functions of the CIB itself ought to be negligible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Single Shot Characterization of High Transformer Ratio Wakefields in Nonlinear Plasma Acceleration

We report that plasma wakefields can enable very high accelerating gradients for frontier high energy particle accelerators, in excess of 10 GeV/m. To overcome limits on single stage acceleration, specially shaped drive beams can be used in both linear and nonlinear plasma wakefield accelerators (PWFA), to increase the transformer ratio, implying that the drive beam deceleration is minimized relative to acceleration obtained in the wake. In this Letter, we report the results of a nonlinear PWFA, high transformer ratio experiment using high-charge, longitudinally asymmetric drive beams in a plasma cell. An emittance exchange process is used to generate variable drive current profiles, in conjunction with a long (multiple plasma wavelength) witness beam. The witness beam is energy modulated by the wakefield, yielding a response that contains detailed spectral information in a single-shot measurement. Using these methods, we generate a variety of beam profiles and characterize the wakefields, directly observing transformer ratios up to R=7.8. Lastly, a spectrally based reconstruction technique, validated by 3D particle-in-cell simulations, is introduced to obtain the drive beam current profile from the decelerating wake data.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Relativistic Asymmetric Magnetic Reconnection

We derive basic scaling equations for relativistic magnetic reconnection in the general case of asymmetric inflow conditions and obtain predictions for the outflow Lorentz factor and the reconnection rate. Kinetic particle-in-cell simulations show that the outflow speeds as well as the nonthermal spectral index are constrained by the inflowing plasma with the weaker magnetic energy per particle, in agreement with the scaling predictions. These results are significant for understanding nonthermal emission from reconnection in magnetically dominated astrophysical systems, many of which may be asymmetric in nature. The results provide a quantitative approach for including asymmetry on reconnection in the relativistic regime.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Self-Reference Procedure to Reduce Uncertainty in Module Calibration

This paper presents a composite measurement approach that capitalizes on complimentary strengths of 3 different test beds to significantly reduce uncertainty in I-V parameters for secondary module calibration. This approach addresses PV manufacturers' need for reduced uncertainty in the calibration modules that provide the basis for their module power ratings. This new method enables NREL to reduce uncertainty for secondary module calibration in commercial c-Si modules from +/-3.2% to +/-0.7% for I SC and from +/-3.3% to +/-1.1% for P MAX . This new module self-reference, or MSR procedure is based on the sensitivity of module voltage to temperature plus the uniformity of outdoor sunlight. By calibrating module V OC in thermal equilibrium on a flash simulator we provide an accurate gauge of junction temperature for subsequent measurements. By calibrating I SC outdoors in natural sunlight we enable the module to serve as its own reference device in setting the intensity of a continuous simulator, effectively eliminating the impact of spatial non-uniformity and spectral mismatch on the I-V measurement. These procedures significantly reduce measurement errors due to temperature uncertainty, spatial non-uniformity, and spectral mismatch.

14 SOLAR ENERGY↗
DOE OSTI2020

MEUMAPPS (Microstructure Evolution Using Massively Parallel Phase-field Simulations)

The software “MEUMAPPS” is a h high-performance computing code used to simulate microstructure evolution associated with diffusional solid-state transformations in structural alloys. Understanding microstructure evolution during thermo-mechanical processing of structural alloys is the first step towards designing and processing alloys for specific applications by meeting property requirements demanded by the application. In this instance, the code is an important component in predicting processing-structure linkages during additive manufacturing of structural alloys as a function of processing parameters and alloy composition used in an additive manufacturing process. The code provides a detailed three-dimensional distribution of different types of phases / constituents and their morphologies, as well as the compositions of these phases that make up the microstructure. The microstructure is simulated by solving the governing partial differential equations using a Fourier Spectral Method.

Radhakrishnan, Balasubram↗
DOE OSTI2017

Multiscale Methods for Accurate, Efficient, and Scale-Aware Models of the Earth System

The major goal of this project was to contribute improvements to the infrastructure of an Earth System Model in order to support research in the Multiscale Methods for Accurate, Efficient, and Scale-Aware models of the Earth System project. In support of this, the NCAR team accomplished two main tasks: improving input/output performance of the model and improving atmospheric model simulation quality. Improvement of the performance and scalability of data input and diagnostic output within the model required a new infrastructure which can efficiently handle the unstructured grids common in multiscale simulations. This allows for a more computationally efficient model, enabling more years of Earth System simulation. The quality of the model simulations was improved by reducing grid-point noise in the spectral element version of the Community Atmosphere Model (CAM-SE). This was achieved by running the physics of the model using grid-cell data on a finite-volume grid.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Precision and Accuracy in PDV and VISAR

This is a technical report discussing our current level of understanding of a wide and varying distribution of uncertainties in velocity results from Photonic Doppler Velocimetry in its application to gas gun experiments. Using propagation of errors methods with statistical averaging of photon number fluctuation in the detected photocurrent and subsequent addition of electronic recording noise, we learn that the velocity uncertainty in VISAR can be written in closed form. For PDV, the non-linear frequency transform and peak fitting methods employed make propagation of errors estimates notoriously more difficult to write down in closed form expect in the limit of constant velocity and low time resolution (large analysis-window width). An alternative method of error propagation in PDV is to use Monte Carlo methods with a simulation of the time domain signal based on results from the spectral domain. A key problem for Monte Carlo estimation for an experiment is a correct estimate of that portion of the time-domain noise associated with the peak-fitting region-of-interesting in the spectral domain. Using short-time Fourier transformation spectral analysis and working with the phase dependent real and imaginary parts allows removal of amplitude-noise cross terms that invariably show up when working with correlation-based methods or FFT power spectra. Estimation of the noise associated with a given spectral region of interest is then possible. At this level of progress, we learn that Monte Carlo trials with random recording noise and initial (uncontrolled) phase yields velocity uncertainties that are not as large as those observed. In a search for additional noise sources, a speckleinterference modulation contribution with off axis rays was investigated, and was found to add a velocity variation beyond that from the recording noise (due to random interference between off axis rays), but in our experiments the speckle modulation precision was not as important as the recording noise precision. But from these investigations we do appreciate that the velocity-uncertainty itself has a wide distribution of values that varies with signal-amplitude modulation (is not a single value). To provide a rough rule of thumb for the velocity uncertainty, we computed the average of the relative standard deviation distributions from 60 recorded traces (with distributions of uncertainties roughly between 0.1 % to 1 % in each trace) and found a mean of the distribution of uncertainties for our experiments is not better than 0.4 % at an analysis window width of 5 ns (although for brief intervals it can be as good as 0.1 %). Further imagination and testing may be needed to reveal other possible hydrodynamics-related sources of velocity error in PDV.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Simulations and models for the Richtmyer– Meshkov instability with broadband perturbations

The Richtmyer–Meshkov instability (RMI) is shock driven and affects many phenomena from inertial fusion to supernova explosions. The behavior of single-modes in the RMI has been studied extensively but less is known with the broadband perturbations that occur in applications. Here, we describe extensive numerical simulations and modeling of the RMI with broadband perturbations with an initial power spectrum of the form P∝ k m , where k is the wavenumber. The hydrodynamic condition is the same as in the $\theta$-Group Collaboration [Thornber et al., “Late-time growth rate, mixing, and anisotropy in the multimode narrowband Richtmyer–Meshkov instability: The $\theta$-group collaboration,” Phys. Fluids 29, 105107 (2017)] with a Mach ~1.86 shock and gamma-law = 5/3 fluids with Atwood number A = 0.5. The bubble amplitude h B is found to grow in two stages. Initially, h B undergoes a phase-inversion and grows linearly in time (t) at a rate consistent with a linear theory. Asymptotically, h B grows as a power law $~t^{\theta}$ when $\langle{k}\rangle{|h_B|}$ > O(1), where $\langle{k}\rangle$ is the average wavenumber for the initial spectrum. The RMI behavior in simulations and modeling agree over a wide range of exponent m, spectral width, initial amplitude, and time. The agreement is quantified objectively using statistical analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A mountain-induced moist baroclinic wave test case for the dynamical cores of atmospheric general circulation models

Idealized test cases for the dynamical cores of atmospheric general circulation models are informative tools to assess the accuracy of the numerical designs and investigate the general characteristics of atmospheric motions. A new test case is introduced that is built upon a baroclinically unstable base state with an added orographic barrier. The topography is analytically prescribed and acts as a trigger of both baroclinic Rossby waves and inertia–gravity waves on a rotating, regular-sized planet. Both dry and idealized moist configurations are suggested. The latter utilizes the Kessler warm-rain precipitation scheme. The test case enhances the complexity of the existing test suite hierarchy and focuses on the impacts of two midlatitudinal mountain ridges on the circulation. Selected simulation examples from four dynamical cores are shown. These are the Spectral Element and Finite Volume dynamical cores, which are part of the National Center for Atmospheric Research (NCAR) Community Earth System Model (CESM), versions 2.1.3 and 2.2, and the Cubed-Sphere Finite Volume dynamical cores, which is new to CESM version 2.2. In addition, the Model for Prediction Across Scales (MPAS) is tested. The overall flow patterns agree well in the four dynamical cores, but the details can vary greatly. The examples highlight the broad palette of use cases for the test case and reveal physics–dynamics coupling issues.

58 GEOSCIENCES↗
NASA NTRS1979

Shock tube spectroscopy of C3 + C2H mixture in the 140 to 700 nm range

Absorption spectroscopy has been performed in the reflected-shock region of a shock tube. Acetylene was shock-heated to produce a mixture, at around 4000 K, rich in C3 and C2H to simulate the ablation layer over the Jovian entry probe, and the spectral range from 140 to 700 nm was surveyed with an evacuable spectrograph. The observed spectra were dominated by those of C2 and C3 and an unknown band at wavelengths below 300 nm. The cross sections of the C3 Swings band in the 300 to 450 nm range agreed with previous measurements within a factor of 1.5. No absorption was observed in the wavelength range from 550 to 700 nm. The unknown broadband absorption with a peak cross section of 4 times 10 to the minus 17/sq cm at around 170 nm was attributed tentatively to the C2H radical. A preliminary calculation showed that the newly found absorption band would reduce the radiative heat flux to the stagnation point wall by about 12.5% in a typical flight condition.

Prakash, S. G.↗
NASA NTRS1982

Radiative properties of a nickel based superalloy: Inconel 617 - After simulated earth reentry

Experimental results are presented to show the effect of environmental simulation exposures of convective heating and of radiant heating on the spectral (1.0 to 14 micrometers) and total emittance of oxidized Inconel 617. Convective heating exposures were conducted in an arc heated supersonic wind tunnel using a wedge-shaped specimen configuration. Radiant tests were conducted in dry air at a flow velocity of several meters per second. Convective heating specimens were subjected to 8, 20 and 38 heating cycles of 15-minutes duration and radiant heating specimens were tested for 10, 20, 50 and 100 one-half hour heating cycles. Changes in radiative properties are discussed in terms of changes in composition and morphology resulting from the exposure tests. Total normal emittance did not significantly change from the statically oxidized condition after either type of exposure, and it remained above 0.80 at 1260K for all cases. Although spectral changes were observed on post exposure specimens at wavelengths less than 2.0 micrometers and greater than 15 micrometers, these changes have no influence on total emittance at 1260K.

Cunnington, G. R.↗