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DOE OSTI2020

Refinement for single-nanoparticle structure determination from low-quality single-shot coherent diffraction data

With the emergence of X-ray free-electron lasers, it is possible to investigate the structure of nanoscale samples by employing coherent diffractive imaging in the X-ray spectral regime. In this work, we developed a refinement method for structure reconstruction applicable to low-quality coherent diffraction data. The method is based on the gradient search method and considers the missing region of a diffraction pattern and the small number of detected photons. We introduced an initial estimate of the structure in the method to improve the convergence. The present method is applied to an experimental diffraction pattern of an Xe cluster obtained in an X-ray scattering experiment at the SPring-8 Angstrom Compact free-electron LAser (SACLA) facility. It is found that the electron density is successfully reconstructed from the diffraction pattern with a large missing region, with a good initial estimate of the structure. The diffraction pattern calculated from the reconstructed electron density reproduced the observed diffraction pattern well, including the characteristic intensity modulation in each ring. Our refinement method enables structure reconstruction from diffraction patterns under difficulties such as missing areas and low diffraction intensity, and it is potentially applicable to the structure determination of samples that have low scattering power.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

New bounds on heavy QCD axions from big bang nucleosynthesis

We study big bang nucleosynthesis (BBN) constraints on heavy QCD axions. BBN offers a powerful probe of new physics that modifies the neutron-to-proton ratio during the process, thanks to the precisely measured primordial Helium-4 abundance. A heavy QCD axion provides an attractive target for this probe, because not only is it a well-motivated hypothetical particle by the strong 𝐶⁢𝑃 problem, but also it dominantly decays to hadrons if kinematically allowed. A range of its lifetime is thus excluded where the hadronic decays would significantly alter the neutron-to-proton ratio. We compute axion-induced modification of the neutron-to-proton ratio, and obtain robust upper bounds on the axion lifetimes, as low as 0.017 s for the axion mass higher than 300 MeV. Remarkably, this is stronger than projected future cosmic microwave background bounds via 𝑁 eff . Our bounds are largely insensitive to uncertainties in hadronic cross sections and the axion’s branching fractions into various hadrons, as well as to the precise value of the initial axion abundance. We also incorporate, for the first time, several key improvements, such as scattering processes by energetic 𝐾 𝐿 and secondary hadrons, that can also be important for studying general hadronic injections during BBN, not limited to those from axion decays.

Axions↗

NASA NTRS2016

Atmospheric Correction for Satellite Ocean Color Radiometry

This tutorial is an introduction to atmospheric correction in general and also documentation of the atmospheric correction algorithms currently implemented by the NASA Ocean Biology Processing Group (OBPG) for processing ocean color data from satellite-borne sensors such as MODIS and VIIRS. The intended audience is graduate students or others who are encountering this topic for the first time. The tutorial is in two parts. Part I discusses the generic atmospheric correction problem. The magnitude and nature of the problem are first illustrated with numerical results generated by a coupled ocean-atmosphere radiative transfer model. That code allow the various contributions (Rayleigh and aerosol path radiance, surface reflectance, water-leaving radiance, etc.) to the topof- the-atmosphere (TOA) radiance to be separated out. Particular attention is then paid to the definition, calculation, and interpretation of the so-called "exact normalized water-leaving radiance" and its equivalent reflectance. Part I ends with chapters on the calculation of direct and diffuse atmospheric transmittances, and on how vicarious calibration is performed. Part II then describes one by one the particular algorithms currently used by the OBPG to effect the various steps of the atmospheric correction process, viz. the corrections for absorption and scattering by gases and aerosols, Sun and sky reflectance by the sea surface and whitecaps, and finally corrections for sensor out-of-band response and polarization effects. One goal of the tutorial-guided by teaching needs- is to distill the results of dozens of papers published over several decades of research in atmospheric correction for ocean color remote sensing.

MODIS↗

NASA NTRS2012

The Exozodiacal Dust Problem for Direct Observations of ExoEarths

Debris dust in the habitable zones of stars otherwise known as exozodiacal dust comes from extrasolar asteroids and comets and is thus an expected part of a planetary system. Background flux from the Solar Systems zodiacal dust and the exozodiacal dust in the target system is likely to be the largest source of astrophysical noise in direct observations of terrestrial planets in the habitable zones of nearby stars. Furthermore, dust structures like clumps, thought to be produced by dynamical interactions with exoplanets, are a possible source of confusion. In this paper, we qualitatively assess the primary impact of exozodical dust on high-contrast direct imaging at optical wavelengths, such as would be performed with a coronagraph. Then we present the sensitivity of previous, current, and near-term facilities to thermal emission from debris dust at all distances from nearby solar-type stars, as well as our current knowledge of dust levels from recent surveys. Finally, we address the other method of detecting debris dust, through high-contrast imaging in scattered light. This method is currently far less sensitive than thermal emission observations, but provides high spatial resolution for studying dust structures. This paper represents the first report of NASA's Exoplanet Exploration Program Analysis Group (ExoPAG).

Roberge, Aki↗

NASA NTRS1973

Calculation of energy deposition distributions for simple geometries

When high-energy charged particles pass through a thin detector, the ionization energy loss in that detector is subject to fluctuations or straggling which must be considered in interpreting the data. Under many conditions, which depend upon the charge and energy of the incident particle and the detector geometry, the ionization energy lost by the particle is significantly different from the energy deposited in the detector. This problem divides naturally into a calculation of the energy loss that results in excitation and low-energy secondary electrons which do not travel far from their production points, and a calculation of energy loss that results in high-energy secondary electrons which can escape from the detector. The first calculation is performed using a modification of the Vavilov energy loss distribution. A cutoff energy is introduced above which all electrons are ignored and energy transferred to low energy particles is assumed to be equivalent to the energy deposited by them. For the second calculation, the trajectory of the primary particle is considered as a source of secondary high-energy electrons. The electrons from this source are transported using Monte Carlo techniques and multiple scattering theory, and the energy deposited by them in the detector is calculated. The results of the two calculations are then combined to predict the energy deposition distribution. The results of these calculations are used to predict the charge resolution of parallel-plate pulse ionization chambers that are being designed to measure the charge spectrum of heavy nuclei in the galactic cosmic-ray flux.

Watts, J. W., Jr.↗

DOE OSTI2022

Mirror twin Higgs cosmology: constraints and a possible resolution to the H$_{0}$ and S$_{8}$ tensions

The mirror twin Higgs model (MTH) is a solution to the Higgs hierarchy problem that provides well-predicted cosmological signatures with only three extra parameters: the temperature of the twin sector, the abundance of twin baryons, and the vacuum expectation value (VEV) of twin electroweak symmetry breaking. These parameters specify the behavior of twin radiation and the acoustic oscillations of twin baryons, which lead to testable effects on the cosmic microwave background (CMB) and large-scale structure (LSS). While collider searches can only probe the twin VEV, through a fit to cosmological data we show that the existing CMB (Planck18 TTTEEE+lowE+lowT+lensing) and LSS (KV450) data already provide useful constraints on the remaining MTH parameters. Additionally, we show that the presence of twin radiation in this model can raise the Hubble constant H$_{0}$ while the scattering twin baryons can reduce the matter fluctuations S$_{8}$, which helps to relax the observed H$_{0}$ and S$_{8}$ tensions simultaneously. This scenario is different from the typical ΛCDM + ΔN$_{eff}$ model, in which extra radiation helps with the Hubble tension but worsens the S$_{8}$ tension. For instance, when including the SH0ES and 2013 Planck SZ data in the fit, we find that a universe with ≳ 20% of the dark matter comprised of twin baryons is preferred over ΛCDM by ~ 4σ. If the twin sector is indeed responsible for resolving the H$_{0}$ and S$_{8}$ tensions, future measurements from the Euclid satellite and CMB Stage 4 experiment will further measure the twin parameters to O(1 - 10%)-level precision. Our study demonstrates how models with hidden naturalness can potentially be probed using precision cosmological data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Nonlinear absorption of short intense laser pulse in multispecies plasma

In the present paper, the detailed investigation concerning the effect of inclusion of heavy negative ions into the finite background plasma on the laser absorption has been carried out by employing particle-in-cell simulation method. For this purpose, in this configuration, the laser energy absorption relying on the nonlinear phenomena such as phase-mixing, wave-breaking, and scattering has been studied in the Raman-Brillouin regime. It is shown that the inclusion of heavy negative ions suppresses the scattering while increases the phase-mixing time. Moreover, it is illustrated that this inclusion can increase the laser absorption in finite plasma environment, after saturation. The obtained results are expected to be relevant to the experiments on the mass spectrometry with laser desorption techniques as well as on the laser-plasma interaction with application to particles acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1994

A spectral boundary integral equation method for the 2-D Helmholtz equation

In this paper, we present a new numerical formulation of solving the boundary integral equations reformulated from the Helmholtz equation. The boundaries of the problems are assumed to be smooth closed contours. The solution on the boundary is treated as a periodic function, which is in turn approximated by a truncated Fourier series. A Fourier collocation method is followed in which the boundary integral equation is transformed into a system of algebraic equations. It is shown that in order to achieve spectral accuracy for the numerical formulation, the nonsmoothness of the integral kernels, associated with the Helmholtz equation, must be carefully removed. The emphasis of the paper is on investigating the essential elements of removing the nonsmoothness of the integral kernels in the spectral implementation. The present method is robust for a general boundary contour. Aspects of efficient implementation of the method using FFT are also discussed. A numerical example of wave scattering is given in which the exponential accuracy of the present numerical method is demonstrated.

Hu, Fang Q.↗

DOE OSTI2025

Proton internal pressure from deeply virtual Compton scattering on collider kinematics

Abstract The unique experimental connection to the QCD energy–momentum tensor offered by generalised parton distributions has been strongly highlighted in the past few years with attempts to extract the pressure and shear forces distributions within the nucleon. If, in principle, this can be performed in a model independent way from experimental data, in practice, the current limited precision and kinematic coverage make such an extraction very challenging. Moreover, the limitation to a leading-order description in the strong coupling of the data has provided only an indirect and weakly sensitive access to gluon degrees of freedom, solely through their mixing to quarks via evolution. In this paper we address this issue by providing a next-to-leading order formalism allowing a reanalysis of global fits with genuine gluonic degrees of freedom. In addition, we provide an estimate of the reduction in uncertainty that could stem from the extended kinematic range relevant for the future Electron Ion Collider. Finally, we stress the connection between the analysis of the dispersion relation in terms of generalised parton distributions and the deconvolution problem.

Dutrieux, H. (ORCID:0000000183344885)↗

NASA NTRS2011

Understanding Effective Diameter and Its Application to Terrestrial Radiation in Ice Clouds

The cloud property known as "effective diameter" or "effective radius", which in essence is the cloud particle size distribution (PSD) volume at bulk density divided by its projected area, is used extensively in atmospheric radiation transfer, climate modeling and remote sensing. This derives from the assumption that PSD optical properties can be uniquely described in terms of their effective diameter, D(sub e), and their cloud water content (CWC), henceforth referred to as the D(sub e)-CWC assumption. This study challenges this assumption, showing that while the D(sub e)-CWC assumption appears generally valid for liquid water clouds, it appears less valid for ice clouds in regions where (1) absorption is not primarily a function of either the PSD ice water content (IWC) or the PSD projected area, and (2) where wave resonance (i.e. photon tunneling) contributes significantly to absorption. These two regions often strongly coincide at terrestrial wavelengths when De less than ~60 m, which is where this D(sub e)-CWC assumption appears poorest. Treating optical properties solely in terms of D(sub e) and IWC may lead to errors up to 24%, 26% and 20% for terrestrial radiation in the window region regarding the absorption and extinction coefficients and the single scattering albedo, respectively. Outside the window region, errors may reach 33% and 42% regarding absorption and extinction. The magnitude and sign of these errors can change rapidly with wavelength, which may produce significant errors in climate modeling, remote sensing and other applications concerned with the wavelength dependence of radiation. Where the D(sub e)-CWC assumption breaks down, ice cloud optical properties appear to depend on D(sub e), IWC and the PSD shape. Optical property parameterizations in climate models and remote sensing algorithms based on historical PSD measurements may exhibit errors due to previously unknown PSD errors (i.e. the presence of ice artifacts due to the shattering of larger ice particles on the probe inlet tube during sampling). More recently developed cloud probes are designed to mitigate this shattering problem. Using realistic PSD shapes for a given temperature (and/or IWC) and cloud type may minimize errors associated with PSD shape in ice optics parameterizations and remote sensing algorithms. While this topic was investigated using two ice optics schemes (the Yang et al., 2005 database and the modified anomalous diffraction approximation, or MADA), a physical understanding of the limitations of the D(sub e)-IWC assumption was made possible by using MADA. MADA allows one to approximate the contribution of photon tunneling to absorption relative to other optical processes, which reveals that part of the error regarding the D(sub e)-IWC assumption can be associated with tunneling. By relating the remaining error to the radiation penetration depth in bulk ice (DELTA L) due to absorption, the domain where the D(sub e)-IWC assumption is weakest was described in terms of D(sub e) and DELTA L.

Mitchell, D. L.↗

DOE OSTI2018

Influence of friction stir processing on the room temperature fatigue cracking mechanisms of A356 aluminum alloy

Here, failure by fatigue is a common problem associated with cast aluminum alloys due to defects like shrinkage porosities, non-metallic inclusions, etc. Friction stir processing (FSP) has recently emerged as an effective technique for local modification of microstructure. This study investigates the fatigue crack initiation and growth mechanisms in cast and FSPed A356 aluminum alloy. Two sets of parameters were used to friction stir the cast alloy resulting in the complete modification the cast microstructure to a wrought microstructure. Both the FSPed microstructures exhibited severe abnormal grain growth (AGG) after heat treatment leading to a multimodal grain size distribution – the grain sizes ranging from a few microns to a few millimeters. One of the FSP conditions displayed an excellent improvement in fatigue life by an order of magnitude, while the other condition displayed an unexpectedly large scatter in fatigue lives. Detailed study of the fractured fatigue specimens by electron back scattered diffraction (EBSD) revealed that both, fatigue crack initiation and propagation, were intimately tied to the grain size as well as the grain misorientations in the microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Influence of skin surface roughness degree on energy characteristics of light scattered by a biological tissue

We present the results of modelling of photometric characteristics of light in soft tissues illuminated by a parallel beam along the normal to the surface, obtained with allowance for the skin roughness parameters and the angular structure of radiation approaching the surface from within the tissue. The depth structure of the fluence rate and the spectra of the diffuse reflection of light by the tissue in the interval of wavelengths 300 – 1000 nm are considered. We discuss the influence of the tilt angle variance of rough surface microelements and light refraction on the studied characteristics. It is shown that these factors lead to the reduction of the radiation flux only in the near-surface tissue layer and practically do not affect the depth of light penetration into the tissue. On the other hand, the degree of the surface roughness and the conditions of its illumination from within the tissue essentially affect the coefficient of diffuse reflection of light and lead to its considerable growth compared to the cases of a smooth interface and completely diffuse illumination, often considered to simplify the theoretical problem solution. The role of the roughness of skin surface is assessed in application to the solution of different direct and inverse problems of biomedical optics. (paper)

60 APPLIED LIFE SCIENCES↗

NASA NTRS2004

Two-Photon Fluorescence Microscopy Developed for Microgravity Fluid Physics

Recent research efforts within the Microgravity Fluid Physics Branch of the NASA Glenn Research Center have necessitated the development of a microscope capable of high-resolution, three-dimensional imaging of intracellular structure and tissue morphology. Standard optical microscopy works well for thin samples, but it does not allow the imaging of thick samples because of severe degradation caused by out-of-focus object structure. Confocal microscopy, which is a laser-based scanning microscopy, provides improved three-dimensional imaging and true optical sectioning by excluding the out-of-focus light. However, in confocal microscopy, out-of-focus object structure is still illuminated by the incoming beam, which can lead to substantial photo-bleaching. In addition, confocal microscopy is plagued by limited penetration depth, signal loss due to the presence of a confocal pinhole, and the possibility of live-cell damage. Two-photon microscopy is a novel form of laser-based scanning microscopy that allows three-dimensional imaging without many of the problems inherent in confocal microscopy. Unlike one-photon microscopy, it utilizes the nonlinear absorption of two near-infrared photons. However, the efficiency of two-photon absorption is much lower than that of one-photon absorption because of the nonlinear (i.e., quadratic) electric field dependence, so an ultrafast pulsed laser source must typically be employed. On the other hand, this stringent energy density requirement effectively localizes fluorophore excitation to the focal volume. Consequently, two-photon microscopy provides optical sectioning and confocal performance without the need for a signal-limiting pinhole. In addition, there is a reduction in photo-damage because of the longer excitation wavelength, a reduction in background fluorescence, and a 4 increase in penetration depth over confocal methods because of the reduction in Rayleigh scattering.

Fischer, David G.↗

DOE OSTI2022

Hypothesis Learning in Automated Experiment: Application to Combinatorial Materials Libraries

Machine learning is rapidly becoming an integral part of experimental physical discovery via automated and high-throughput synthesis, and active experiments in scattering and electron/probe microscopy. This, in turn, necessitates the development of active learning methods capable of exploring relevant parameter spaces with the smallest number of steps. In this work, an active learning approach based on conavigation of the hypothesis and experimental spaces is introduced. This is realized by combining the structured Gaussian processes containing probabilistic models of the possible system's behaviors (hypotheses) with reinforcement learning policy refinement (discovery). This approach closely resembles classical human-driven physical discovery, when several alternative hypotheses realized via models with adjustable parameters are tested during an experiment. This approach is demonstrated for exploring concentration-induced phase transitions in combinatorial libraries of Sm-doped BiFeO 3 using piezoresponse force microscopy, but it is straightforward to extend it to higher-dimensional parameter spaces and more complex physical problems once the experimental workflow and hypothesis generation are available.

36 MATERIALS SCIENCE↗

NASA NTRS1974

A new approach to mass spectrometer measurements of thermospheric density

The gas sampling problem in satellite and high velocity probes was investigated by applying the theory of a drifting Maxwellian gas. A lens system using a free stream ion source was developed and experimentally evaluated over the pressure range of 0.00001 to 0.01 N/m sq (approx. 10 to the minus 7th power to 0.0001 torr). The source has high beam transparency, which minimizes gas-surface collisions within, or near, the ionization volume. It is shown that for high ion energy (60 eV), the extracted ion beam has an on-axis energy spread of less than 4 eV, and that 90 percent of the ions are within 2.5 deg of the beam axis. It is concluded that the molecular beam mass spectrometer concept, developed for gas density measurements in the upper atmosphere, substantially reduces gas-surface scattering and gas-surface reactions in the sample, and preserves the integrity of the gas sample during the analysis process. Studies show that both the Scout and Delta launch vehicles have adequate volume, control, velocity, and data acquisition capability necessary to obtain thermospheric number density in real time.

Melfi, L. T., Jr.↗

NASA NTRS1992

Optical testing

Optical testing is one of the most vital elements in the process of preparing an optical instrument for launch. Without well understood, well controlled, and well documented test procedures, current and future mission goals will be jeopardized. We should keep in mind that the reason we test is to provide an opportunity to catch errors, oversights, and problems on the ground, where solutions are possible and difficulties can be rectified. Consequently, it is necessary to create tractable test procedures that truly provide a measure of the performance of all optical elements and systems under conditions which are close to those expected in space. Where testing is not feasible, accurate experiments are required in order to perfect models that can exactly predict the optical performance. As we stretch the boundaries of technology to perform more complex space and planetary investigations, we must expand the technology required to test the optical components and systems which we send into space. As we expand the observational wavelength ranges, so must we expand our range of optical sources and detectors. As we increase resolution and sensitivity, our understanding of optical surfaces to accommodate more stringent figure and scatter requirements must expand. Only with research and development in these areas can we hope to achieve success in the ever increasing demands made on optical testing by the highly sophisticated missions anticipated over the next two decades. Technology assessment and development plan for surface figure, surface roughness, alignment, image quality, radiometric quantities, and stray light measurement are presented.

Wyant, James↗

NASA NTRS1994

Consistency in long-term observations of oceans and ice from space

Satellite remote sensing has provided powerful tools for constructing long-term records of observations of many of Earth's geophysical processes. Geophysicists studying climage change would like to construct time series of data which are as long, accurate, and consistent as possible. While technological advances continue to improve the quality of observations from space, they also present consistency problems. The scanning multichannel microwave radiometer (SMMR), which operated from October 1978 to August 1987, and the special sensor microwave imager (SSMI), which overlapped with the SMMR for nearly two months in 1987, have provided microwave radiances which have been used to monitor long-term changes in sea ice concentration and snow accumulation, among other things. Inspection has shown, however, that brightness temperatures from the two sensors over the same polar firn-covered scene can differ by as much as 14 K. Calibration corrections for polar firn have been derived; in this paper, we present calculations addressing the physics of the small frequency and viewing angle differences between the SMMR and the SSMI on microwave emission from polar scenes containing free water. We focus here only on surface emission. We use a surface scattering model and study the effects of surface roughness, snow wetness, snow density, and young sea ice concentration. We also compare data from Antarctica with our modeled results. We find that for most scenes, surface roughness dominates over the effects of frequency and viewing angle differences, but that for open long-term times series, data must be calibrated and constructed at the geophysical product level rather than at the level of measured radiances.

Zabel, I. H. H.↗

DOE OSTI2021

Lattice determination of 𝐼=0 and 2 𝜋⁢𝜋 scattering phase shifts with a physical pion mass

Phase shifts for 𝑠-wave 𝜋⁢𝜋 scattering in both the 𝐼 =0 and 𝐼 =2 channels are determined from a lattice QCD calculation performed on 741 gauge configurations obeying G-parity boundary conditions with a physical pion mass and lattice size of 32 3 ×64. These results support our recent 2021 study of direct 𝐶⁢𝑃 violation in 𝐾 → 𝜋⁢𝜋 decay, improving our earlier 2015 calculation. The phase shifts are determined for both stationary and moving 𝜋⁢𝜋 systems, at three (𝐼 = 0) and four (𝐼 = 2) different total momenta. We implement several 𝜋⁢𝜋 interpolating operators including a scalar bilinear “𝜎” operator and paired single-pion bilinear operators with the constituent pions carrying various relative momenta. Several techniques, including correlated fitting and a bootstrap determination of p-values have been used to refine the results and a comparison with the generalized eigenvalue problem method is given. A detailed systematic error analysis is performed which allows phase shift results to be presented at a fixed energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗