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DOE OSTI2024

Exotic particles at the DUNE near detector from charged pion scattering

Fixed-target proton-beam experiments produce a multitude of charged pions that rescatter in the beam dump. These charged pion scattering events can be an additional irreducible source of exotic particles which couple to photons or hadrons. We analyze the sensitivity of the DUNE near detector complex to millicharged particles (MCPs) and heavy axionlike particles (ALPs) with low-energy couplings to gluons. Using the framework of chiral perturbation theory, we demonstrate regimes of parameter space where the charged pion production channel dominates over previously considered production mechanisms for both MCPs and ALPs, thereby improving the sensitivity of DUNE to these new particles compared to previous studies. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1977

Complex refractive index of Martian dust - Wavelength dependence and composition

The size distribution and complex refractive index of Martian dust-cloud particles observed in 1971 with the Mariner 9 UV spectrometer are determined by matching the observed single-scattering albedo and phase function with Mie-scattering calculations for size distributions of spheres. Values of phase function times single-scattering albedo are presented for 12 wavelength intervals in the range from 190 to 350 nm, and best-fit values are obtained for the absorption index. It is found that the absorption index of the dust particles increases with decreasing wavelength from 350 to about 210 nm and then drops off shortward of 210 nm, with a structural shoulder occurring in the absorption spectrum between 240 and 250 nm. A search for a candidate material that can explain the strong UV absorption yields TiO2, whose anatase polymorph has an absorption spectrum matching that of the Martian dust. The TiO2 content of the dust particles is estimated to be a few percent or less.

Pang, K.↗

NASA NTRS1984

Bidirectional Spectral Reflectance of Earth Resources: Influence of Scene Complexity and Atmospheric Effects on Remote Sensing

Practical methods for remote sensing when scene complexity and atmospheric effects modify intrinsic reflective properties are developed. The radiation history from ground to space of light reflected from individual leaves is initially multiply scattered within the crop canopy, whose geometry provides a controlling influence, then scattered and attenuated as a result of transmission through the Earth's atmosphere. The experimental and theoretical tools for studying these effects quantitatively are under development. A new radiative transfer code which uses Fourier transforms to solve the 3-D equation of transfer was developed. The initial version permits inhomogeneous non-Lambertian surfaces but assumes horizontal uniformity for the atmosphere. The computational results are in excellent agreement with Monte Carlo calculations. Laboratory apparatus to study the variation of spectral reflectance of individual leaves as a function of illumination incidence angle and reflection angle was used. These data can then be used in models to determine canopy scattering effects. Stress tests by observing leaf reflectance at 0.9 microns as a function of time following clipping from the stem was performed. A reflectance increase due to loss of water has been observed.

Diner, D. J.↗

NASA NTRS1984

Microscopic optical potential analyses of carbon-carbon elastic scattering

Utilizing eikonal phase shifts determined from a microscopic double-folding optical potential, marked improvement in the agreement between theory and experiment, for elastic carbon-carbon scattering between 200 and 300 MeV, is obtained when only those values for the nucleon-nucleon slope parameter, appropriate for diffractive scattering, are used. The appropriateness of the perturbative eikonal expansion is discussed by comparison with recent results, obtained for the same potentials, using a more exact complex Wentzell-Kramers-Brillouin (WKB) formalism.

Bidasaria, H. B.↗

NASA NTRS1999

Dust Optical Properties derived from Sun/Sky Measurements and Satellite Data

We derive the optical properties of dust originating from the Sahara and nearby regions using a combination of ground based and satellite measurements. The AErosol ROBotic NETwork (AERONET) sun/sky radiances from Cap Verde and Sede Boker are used together with Landsat TM data over Senegal and the Atlantic Ocean. The data introduce a cascade of increasing complexity of dust optical properties: The sky aureole radiance is sensitive mainly to the dust size distribution; the TM data over the ocean at 150 deg scattering angle are also sensitive to the spectral refractive index from 470 to 2,210 nm. The TM data over the land measure the balance between the dust scattering and absorption of light reflected by the bright surface, thus very sensitive to dust spectral absorption. Sky radiance at scattering angle of 120 deg, add sensitivity to the dust nonsphericity. Preliminary results, indicative of the ambient dust in the entire atmospheric column, show that dust is less absorbing and with smaller nonspherical properties than anticipated from in situ measurements. Dust is dominated by particles with effective radius of 2 to 2.5 micron, refractive index for wavelengths less then 1 micron of 1.53-0.001i and nonsphericity that increases the phase function at 120 deg above that of spheres by 1.8 and 1.7 at 673 nm down to 1.2 and 1.3 for 1020 nm for Cap Verde and Sede Boker respectively. No significant nonsphericity effect is noticed for scattering angle of 150 deg. This agrees with a mixture of 30% and 45% respectively of Mishchenko et al (JGR, 102, 1997: plate 5 on page 16,841) "polydisperse equiprobable shape mixture of prolate and oblate spheroids with aspect ratios ranging from 1.4 to 2.21, with the rest being spherical particles.

Kaufman, Yoram J.↗

NASA NTRS1997

Compton Gamma Ray Observatory Guest Investigator Program

This paper presents a final report for the Compton Gamma Ray Observatory Guest Investigator Program from 06/01/91-07/31/97. The topics include: 1) Solar Flare Neutron Spectra and Accelerated Ions; 2) Gamma Ray Lines From The Orion Complex; 3) Implications of Nuclear Line Emission From The Orion Complex; 4) Possible Sites of Nuclear Line Emission From Massive OB Associations; 5) Gamma-Ray Burst Repitition and BATSE Position Uncertainties; 6) Effects of Compton Scattering on BATSE Gamma-Ray Burst Spectra; and 7) Selection Biases on the Spectral and Temporal Distribution of Gamma Ray Bursts.

Lingenfelter, Richard E.↗

NASA NTRS2017

Key Differences in Operating a Rover on the Moon vs. Mars

The command and control model for spacecraft operations, as well as the distribution of tasks between ground assets and in space assets, whether with a crew or solely robotic, is fundamentally constrained by the round trip light time between the space asset and the control facility (presumably on Earth, though not required). For an asset on Mars, the round trip light time varies, from roughly fourteen minutes to up to forty minutes. For a Lunar asset the round-trip light time is measured in only a few seconds, but current communications systems may more than double the latency with system overhead. For a Lunar Asset the total command latency may range from six seconds to more than forty, depending on communications overhead and data rates. Further, these variables are not always predictable, thus complicating operations. There are several differentiating factors for Lunar vs. Mars operations, Round trip light time/Atmosphere/Lighting and ShadowsTerrain type and knowledge/Round trip light time has implications for the distribution of tasks between ground and in space assets. Even at Lunar Distances, the combination of round trip light time plus communications systems overhead does not enable joy stick driving of a rover. The best that can be done, if driving from Earth, is near real time command and control. By 2030, driving from in space may be possible. Productivity on Mars requires either long operational sequences of commands, as is done for current rovers such as Curiosity, significant autonomous capability or, as may be possible by 2030, command and control support from space. Another implication of the long round trip light time from Earth to Mars, is that flight software functions must be resident on the in space asset. On the Moon, there is considerably more flexibility, enabling processing functions, to be resident on Earth or in space. This provides the opportunity to take advantage of the considerable processing power available on the ground, but may be constrained by data rates. On the Moon, for practical operational purposes, there is no atmosphere. Hence there is no scattering of light in the shadows. This has implications for image interpretation and driving near the poles. The Moon has permanently shadowed regions (PSR), unique terrain with unknown surface properties. With no scattering of light in shadows, driving on the Moon, particularly at the poles, where we have strong evidence of water, may prove to be hazardous and complex, requiring non-optical sensors, such as LIDAR.

Trimble, Jay↗

NASA NTRS2019

PIV and Rotational Raman-Based Temperature Measurements for CFD Validation of a Perforated Plate Cooling Flow: Part 1

Film cooling is used in a wide variety of engineering applications for protection of surfaces from hot or combusting gases. The design of more efficient film cooling geometries/configurations could be facilitated by an ability to accurately model and predict the effectiveness of current designs using computational fluid dynamics (CFD) code predictions. Hence, a benchmark set of flow field property data were obtained for use in assessing current CFD capabilities and for development of better modeling approaches for these turbulent flow fields where accurate calculation of turbulent heat flux is important. Both Particle Image Velocimetry (PIV) and spontaneous rotational Raman scattering (SRS) spectroscopy were used to acquire high quality, spatially-resolved measurements of the mean velocity, turbulence intensity as well as the mean temperature and root mean square (rms) temperatures in a film cooling flow field. In addition to off-body flow field measurements, infrared thermography (IR) and thermocouple measurements on the plate surface enabled estimates of the film effectiveness. Raman spectra in air were obtained across a matrix of axial locations downstream from a 68.07 mm square nozzle blowing heated air over a range of temperatures (up to TR = 2.7) and Mach numbers (up to M0.9), across a 30.48 cm long plate equipped with three patches of 45 small (~1 mm) diameter cooling holes arranged in a staggered configuration. In addition, both centerline streamwise 2-component PIV and cross-stream 3-component Stereo PIV data at 14 axial stations were collected in the same flows. Only a subset of the data collected in the test program is included in this Part I report and are available from the NASA STI office. The final portion of the data will be published in a future report, Part II, along with CFD predictions of the complex cooling film flow.

Raman Scattering↗

NASA NTRS1990

Time-dependent treatment of scattering - Integral equation approaches using the time-dependent amplitude density

The time-dependent form of the Lippmann-Schwinger integral equation is used as the basis of several new wave packet propagation schemes. These can be formulated in terms of either the time-dependent wave function or a time-dependent amplitude density. The latter is nonzero only in the region of configuratiaon space for which the potential is nonzero, thereby in principle obviating the necessity of large grids or the use of complex absorbing potentials when resonances cause long collision times (leading, consequently, to long propagation times). Transition amplitudes are obtained in terms of Fourier transforms of the amplitude density from the time to the energy domain. The approach is illustrated by an application to a standard potential scattering model problem where, as in previous studies, the action of the kinetic energy operator is evaluated by fast Fourier transform (FFT) techniques.

Hoffman, David K.↗

NASA NTRS2008

Near-Field Spectroscopy with Nanoparticles Deposited by AFM

An alternative approach to apertureless near-field optical spectroscopy involving an atomic-force microscope (AFM) entails less complexity of equipment than does a prior approach. The alternative approach has been demonstrated to be applicable to apertureless near-field optical spectroscopy of the type using an AFM and surface enhanced Raman scattering (SERS), and is expected to be equally applicable in cases in which infrared or fluorescence spectroscopy is used. Apertureless near-field optical spectroscopy is a means of performing spatially resolved analyses of chemical compositions of surface regions of nanostructured materials. In apertureless near-field spectroscopy, it is common practice to utilize nanostructured probe tips or nanoparticles (usually of gold) having shapes and dimensions chosen to exploit plasmon resonances so as to increase spectroscopic-signal strengths. To implement the particular prior approach to which the present approach is an alternative, it is necessary to integrate a Raman spectrometer with an AFM and to utilize a special SERS-active probe tip. The resulting instrumentation system is complex, and the tasks of designing and constructing the system and using the system to acquire spectro-chemical information from nanometer-scale regions on a surface are correspondingly demanding.

Anderson, Mark S.↗

DOE OSTI2024

Establishing robust correction schemes for improved and reliable ARM-AOS aerosol optical data products

Aerosol light absorption and scattering of solar radiation play an important role in the earth’s atmosphere in terms of direct and semi-direct radiative forcing. Optical parameters of importance to the US Department of Energy (DOE) climate models include absorption and scattering coefficients, single scattering albedo (SSA), absorption Angstrom exponents (AAE), and the asymmetry parameter (g). These parameters depend on aerosol size, shape and composition (refractive index), and are spectrally sensitive in the shortwave region. Additionally, these parameters have a complex dependency on the emission source, especially for carbonaceous aerosols. The DOE Atmospheric Radiation Measurement (ARM) user facility has deployed aerosol observing systems (AOS) containing several filter-based instruments to measure and constrain aerosol optical properties and related parameters at multiple sites worldwide. For measurement of aerosol light absorption, the AOS includes filter-based instruments (particle soot absorption photometer and tricolor absorption photometer) that infer particle-phase aerosol absorption coefficients at nominal red, green, and blue wavelength bands from the attenuation (ATN) of light passing through a particulate filter on which aerosols are deposited. Measurement of aerosol scattering is done in situ using nephelometers. By combining inferred absorption coefficients from filter-based ATN measurements and in situ scattering coefficients, value-added products (VAPs) such as SSA, AAE, and g are derived.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

A windowed mean trajectory approximation for condensed phase dynamics

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna–Matthews–Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. In conclusion, the new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Supramolecular Assembly of Lanthanide-Binding Tag Peptides for Aqueous Separation of Rare Earth Elements

Selective and eco-friendly separation and purification methods for rare earth elements (REEs) are necessary to meet the increasing demand for these valuable metals, which are extensively used in modern electronics and clean energy technologies. Mining feedstocks consist of REE mixtures as stable trivalent cations (Ln 3+ ) that are difficult to separate due to their identical charge and similar size. Lanthanide-binding tags (LBTs), peptide chelates that coordinate Ln 3+ in binding pockets, show promise as selective, high-affinity extractants. We demonstrate that the LBT variant LBTLLA 5– , designed for high selectivity for Tb 3+ , is an effective extractant, forming complexes with REEs in solution that subsequently organize into self-assembling structures rich in Ln 3+ . These structures condense into aggregates that can be separated, enabling an efficient, all-aqueous, eco-friendly separation process. The self-assembled structures are studied using dynamic light scattering, ζ-potential measurements, transmission electron microscopy, anomalous small-angle X-ray scattering, inductively coupled plasma optical emission spectroscopy, and ultraviolet–visible absorption spectroscopy, which confirm LBTLLA 5– peptide-REE ion binding and the further assembly of micron-scale structures rich in REEs. Molecular dynamics simulations reveal the interactions promoting aggregation as well as the integrity of the binding pocket upon self-assembly. We find that LBTLLA 5– :Ln 3+ complexes recruit excess cations within the macrostructures, and we demonstrate that aggregation and selective separation can be controlled by manipulating the metal-peptide ratio in solution. Furthermore, we demonstrate separation from equimolar mixtures of REE pairs Tb 3+ -Lu 3+ and Tb 3+ -La 3+ , supporting the application of LBT peptides as a platform for the selective separation of REEs.

LBT peptides↗

NASA NTRS2002

D-Wave Resonances in Positronium Hydride

The problem of calculating the position and width of the lowest-lying (L = 0, 1) resonances in the Ps + H scattering system has recently been re-examined by the authors [1]. In the model used, resonances axe assumed generated by bound Rydberg states in the closed re-arranged channel [e(+) + H(-)]. This infinite series of Coulomb bound states are shifted somewhat by the coupling with the open scattering channel [Ps + H]. Estimates using this approach, first carried out by one of the authors [2] using a simple form of scattering wavefunction, indicated an anticipated small shift of resonance away from the Rydberg energy in the S-wave (L = 0). More recent results by Ho and Yan [3] using the complex-rotation method showed unexpected significant shifting in the P (L = 1) and D (L = 2)-wave resonance energies from their respective unperturbed values. Our re-calculation of the resonances [I I for L = 0 and I indicates that, in each case, reasonably consistent resonance energies are obtained by coupling the two lowest lying states (IS and 2S for L = 0 and 2P and 3P for L = 1). For each L it is the higher state (2S and 3P, respectively) that produces the resonance. The lower state (1S and 2P, respectively) is effective only in increasing the non-resonant phase shift. In this work we extend the model to L = 2 (D-waves). Our results show that, unlike the S and P-waves, the 313-state alone produces a resonant energy that is very close to the result of Yan and Ho [3]. Inclusion of the 4D-state produces a second resonance in the scattering system shifted up slightly from its unperturbed Rydberg energy.

Drachman, Richard J.↗

NASA NTRS1993

Interferometry of Cyg A and Cas A - Source noise at 327 MHz

Interferometric observations of Cyg A and Cas A at 327 MHz confirm predictions for the characteristics of noise in synthesis images of very bright sources. On a single baseline, the noise variances of the real and imaginary components of the complex visibility are not equal. The noise in an image is larger for positions on-source than off-source. The on-source noise is scattered into the off-source region by the sidelobes of the synthesized beam. Part of this contribution to the off-source noise can be removed by judicious deconvolution.

Mccullough, Peter R.↗

NASA NTRS1997

Absorption and scattering properties of the Martian dust in the solar wavelengths

A new wavelength-dependent model of the single-scattering properties of the Martian dust is presented. The model encompasses the solar wavelengths (0.3 to 4.3 micrometers at 0.02 micrometer resolution) and does not assume a particular mineralogical composition of the particles. We use the particle size distribution, shape, and single-scattering properties at Viking Lander wavelengths presented by Pollack et al. [1995]. We expand the wavelength range of the aerosol model by assuming that the atmospheric dust complex index of refraction is the same as that of dust particles in the bright surface geologic units. The new wavelength-dependent model is compared to observations taken by the Viking Orbiter Infrared Thermal Mapper solar channel instrument during two dust storms. The model accurately matches afternoon observations and some morning observations. Some of the early morning observations are much brighter than the model results. The increased reflectance can be ascribed to the formation of a water ice shell around the dust particles, thus creating the water ice clouds which Colburn et al. [1989], among others, have predicted.

Atmosphere/analysis↗

NASA NTRS2007

Convergent Close-Coupling Approach to Electron-Atom Collisions

It was with great pleasure and honour to accept the invitation to make a presentation at the symposium celebrating the life-long work of Aaron Temkin and Richard Drachman. The work of Aaron Temkin was particularly influential on our own during the development of the CCC method for electron-atom collisions. There are a number of key problems that need to be dealt with when developing a general computational approach to such collisions. Traditionally, the electron energy range was subdivided into the low, intermediate, and high energies. At the low energies only a finite number of channels are open and variational or close-coupling techniques could be used to obtain accurate results. At high energies an infinite number of discrete channels and the target continuum are open, but perturbative techniques are able to yield accurate results. However, at the intermediate energies perturbative techniques fail and computational approaches need to be found for treating the infinite number of open channels. In addition, there are also problems associated with the identical nature of electrons and the difficulty of implementing the boundary conditions for ionization processes. The beauty of the Temkin-Poet model of electron-hydrogen scattering is that it simplifies the full computational problem by neglecting any non-zero orbital angular momenta in the partial-wave expansion, without loosing the complexity associated with the above-mentioned problems. The unique nature of the problem allowed for accurate solution leading to benchmark results which could then be used to test the much more general approaches to electron-atom collision problems. The immense value of the Temkin-Poet model is readily summarised by the fact that the initial papers of Temkin and Poet have been collectively cited around 250 times to date and are still being cited in present times. Many of the citations came from our own work during the course of the development of the CCC method, which we now describe.

Bray, Igor↗

DOE OSTI2026

Mapping resonant inelastic x-ray scattering onto electronic structure of iridium compounds

Resonant inelastic X-ray scattering (RIXS) is an indispensable tool that can selectively probe the electronic structure of active sites in energy conversion systems, for example, iridium oxides. However, decoding the RIXS spectra remains challenging due to its inherently complex many-body interactions. Here, we analyze Ir L 3 edge RIXS spectra of Ir, IrCl 3 , and IrO 2 , employing the joint density of states (JDOS) calculated directly from electronic band-structure calculations. The overall energy-loss features in the RIXS spectra are well reproduced by the JDOS, reaffirming the close correspondence between electron–hole excitations and RIXS spectra observed in prior studies. Intriguingly, the RIXS spectra above ∼4 eV in metallic Ir and IrO 2 follow a power-law behavior, 𝐼 RIXS ~Δ −𝑝 , where Δ is the energy loss and p is the associated power-law exponent. This is consistent with edge-singularity behavior commonly found in resonant X-ray scattering from metallic samples. Furthermore, orbital-projected JDOS enables a decomposition of the IrO 2 spectrum into specific dd transitions, providing a clear interpretation of orbital excitations and an efficient strategy for decoding RIXS spectra in iridium-based energy conversion systems.

5d↗