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Techniques for studying materials under extreme states of high energy density compression

The properties of materials under extreme conditions of pressure and density are of key interest to a number of fields, including planetary geophysics, materials science, and inertial confinement fusion. In geophysics, the equations of state of planetary materials, such as hydrogen and iron, under ultrahigh pressure and density provide a better understanding of their formation and interior structure [Celliers et al., “Insulator-metal transition in dense fluid deuterium,” Science 361, 677–682 (2018) and Smith et al., “Equation of state of iron under core conditions of large rocky exoplanets,” Nat. Astron. 2, 591–682 (2018)]. The processes of interest in these fields occur under conditions of high pressure (100 GPa–100 TPa), high temperature (>3000 K), and sometimes at high strain rates (>103 s−1) depending on the process. With the advent of high energy density (HED) facilities, such as the National Ignition Facility (NIF), Linear Coherent Light Source, Omega Laser Facility, and Z, these conditions are reachable and numerous experimental platforms have been developed. To measure compression under ultrahigh pressure, stepped targets are ramp-compressed and the sound velocity, measured by the velocity interferometer system for any reflector diagnostic technique, from which the stress-density of relevant materials is deduced at pulsed power [M. D. Knudson and M. P. Desjarlais, “High-precision shock wave measurements of deuterium: Evaluation of exchange-correlation functionals at the molecular-to-atomic transition,” Phys. Rev. Lett. 118, 035501 (2017)] and laser [Smith et al., “Equation of state of iron under core conditions of large rocky exoplanets,” Nat. Astron. 2, 591–682 (2018)] facilities. To measure strength under high pressure and strain rates, experimenters measure the growth of Rayleigh–Taylor instabilities using face-on radiography [Park et al., “Grain-size-independent plastic flow at ultrahigh pressures and strain rates,” Phys. Rev. Lett. 114, 065502 (2015)]. The crystal structure of materials under high compression is measured by dynamic x-ray diffraction [Rygg et al., “X-ray diffraction at the national ignition facility,” Rev. Sci. Instrum. 91, 043902 (2020) and McBride et al., “Phase transition lowering in dynamically compressed silicon,” Nat. Phys. 15, 89–94 (2019)]. Medium range material temperatures (a few thousand degrees) can be measured by extended x-ray absorption fine structure techniques, Yaakobi et al., “Extended x-ray absorption fine structure measurements of laser-shocked V and Ti and crystal phase transformation in Ti,” Phys. Rev. Lett. 92, 095504 (2004) and Ping et al., “Solid iron compressed up to 560 GPa,” Phys. Rev. Lett. 111, 065501 (2013), whereas more extreme temperatures are measured using x-ray Thomson scattering or pyrometry. This manuscript will review the scientific motivations, experimental techniques, and the regimes that can be probed for the study of materials under extreme HED conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Negative Ion Drift Time Projection Chamber Development for High-Resolution Tracking

Gas Time Projection Chambers (TPCs) are used extensively in High Energy Physics. Modern micro-pattern gaseous detectors (MPGDs) have made it feasible to construct large-volume TPCs with high readout granularity, so that ionization can be imaged with spatial resolution of order 100 μm or better. A challenge with large TPCs is preserving the track geometry over large drift distances. The reduced diffusion offered by negative ion drift (NID) has long been considered a possible means to scaling up TPCs at reduced cost, but NID has up to now required toxic and often flammable multi-component gas mixtures. A number of recent breakthroughs in the field have, however, led to a resurgence of interest in NID gas TPCs: First, it was found that multiple charge carriers in NID can be utilized to measure the absolute position of primary ionization in the drift direction, yielding a powerful new handle on backgrounds, at zero additional cost. Second, work by one of the PIs has revealed SF6 gas to be a non-toxic, non-flammable, NID gas with suitable minority charge carriers present. Third, preliminary work by the PIs suggests that multiple MPGD technologies work well with SF6. This opens the door to a new generation of large, high-resolution, low-background, low-cost gas TPCs. In this work we will investigate MPGD charge multiplication and charge readout in NID TPCs with SF6 gas. The objectives are to quantify the improvement over electron drift TPCs, and to identify the optimal MPGD types, operational parameters, electronics, and vacuum technologies for future low-background experiments. We will measure low-level detector performance parameters such as gain, gain resolution, and spatial resolution, as well as the resulting higher-level performance parameters such nuclear recoil identification efficiency, gamma-ray background rejection, track angle resolution and recoil energy resolution. The proposed work also includes investigation of acrylic vacuum vessels and collaboration on dedicated charge readout chips, both required for next-generation NID MPGD TPCs. MGPD NID TPCs may prove transformative for applications which require both high readout granularity and large detector volumes, such as the reconstruction of nuclear recoils in the context of large-scale directional dark matter searches, measurements of coherent neutrino-nucleus scattering, and directional neutron detection. While the proposed work is focused on nuclear recoils, the lessons learned will be widely applicable to gas TPCs in HEP, and hence have broad impact.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mathematical formulation of scatter-free propagation of solar cosmic rays

The observations of strong persistent velocity anisotropies in solar flare events demand a mathematical theory closer to the extreme of scatter-free (deterministic) propagation rather than diffusive (stochastic) transport, since the latter breaks down as inferred mean-free-paths exceed 0.1 AU. Equations are derived for the time-dependent phase-space density, and Laplace transform techniques are used to obtain solutions under rather general conditions. The case of an Archimedean spiral field has been solved numerically, and the results compared with observations from Mariner and Explorer spacecraft of nearly 0.4 MeV proton intensity and anisotropy histories. These can both be replicated if the inner boundary of the modulation region is placed beyond 2 AU.

Nolte, J. T.↗

Pitch angle distributions of energetic protons near the earth's bow shock

Measurements of energetic protons between about 28 and about 145 keV on ISEE-1 upstream and downstream of the earth's bow shock during times of a radial interplanetary magnetic field are presented. The protons exhibited a slight antisunward flow in the spacecraft system in front of the bow shock and a strong flow along the magnetic field in the spacecraft system in the magnetosheath. Compton-Getting transformations of these anisotropies into the plasma frame of reference have been performed. It is argued that the observations can be explained best in terms of particle acceleration by multiple reflection between the bow shock and upstream scattering centers.

Scholer, M.↗

The New NASA Ames Infrared Optical Constant Facility. Determinations for Titan Aerosol-, and Exoplanet and Brown Dwarf Cloud Particle Analogs

Here we present a new optical constant facility developed at NASA Ames that will allow the determination of optical constants in the infrared of various materials, analogs of hazes and cloud particles in (exo)planet atmospheres and brown dwarfs. Our facility is composed of a Fourier Transform Infrared (FTIR) spectrometer continuously covering the Near-IR, mid-IR and Far-IR range (from 0.74 to 200 µm), coupled to variable angle transmittance and reflectance accessories that allow the characterization of the scattering properties of nonhomogeneous samples (laboratory planetary aerosol analogs, films, slabs of material, crystals, powders...) over a wide incidence and emittance angle range (0-90 degrees). This permits the angular light distribution in both transmission and reflection measurements to be characterized, enabling the determination of the complex indices of refraction, n and k, over the full NIR-FIR range via modeling of the laboratory observations. The resulting refractive indices are critical input parameters in radiative transfer models, exoplanet and brown dwarf cloud models, protoplanetary disk simulations and other models used for the interpretation of observational data from past, current and future (exo)planetary NASA missions. We will present preliminary data obtained on Titan aerosol analogs produced in the Titan Haze Simulation (THS) experiment on COSmIC, a unique experimental platform developed at NASA Ames that allows the simulation of Titan's complex atmospheric chemistry at Titan-like temperature (200 K). We will also introduce a new study of the optical properties of ammonium-bearing phosphates, potential cloud particles forming in temperate exoplanets and brown dwarfs.

Planetary Science↗

Exploring the mobility of Cu in bimetallic nanocrystals to promote atomic-scale transformations under a reactive gas environment

Bimetallic nanocrystals (NCs) often show improved catalytic activities compared to their monometallic counterparts, but to optimize the performance it is crucial to understand how they behave under actual reaction conditions, i.e. in gas environments. Here, in this study, we use powder X-ray diffraction (PXRD), total scattering (TS) with pair distribution function (PDF) analysis and in situ high-resolution transmission electron microscopy (HR-TEM) to provide new insights into the atomic-scale behaviour of NC catalysts under a reactive gas environment. By investigating Au, Cu, Pd, PdCu, AuPd and AuCu NCs, we observe that the properties of bimetallic NCs differ significantly from their monometallic counterparts. While metal oxide phases formed for monometallic Pd and Cu under O 2 -exposure, bimetallic PdCu and AuCu NCs showed loss of metallic Cu in the crystalline phases after exposure to O 2 . However, upon introducing the bimetallic NCs to a reducing atmosphere, the Cu was found to reappear and reincorporate into a crystalline phase, forming the initial bimetallic structures. By combining TS, PDF analysis and in situ HR-TEM, we saw that Cu segregates to the NC surfaces or forms small CuO domains under O 2 -exposure. Our results thus indicate that the Cu mobility promotes segregation and formation of CuO along with the formation of a monometallic phase, which ultimately changes the resulting active surface sites of the nanocatalyst. Understanding the dynamical structure–property relations of nanocatalysts is key to enable rational design of efficient and robust catalysts for controlled catalytic reactions.

36 MATERIALS SCIENCE↗

Comparison of microstructural and mechanical properties of friction stir spot welded ultra-high strength dual phase and complex phase steels

Highlights: • The microstructure and mechanical properties of FSSW of ultra high strength DP and CP steels are compared. • The stir zone (SZ) of CP steel mainly consists of bainite and martensite; no bainite is identified in the SZ of DP steel. • The cooling was not fast enough for the CP steel to suppress the effect of chemical composition on phase transformation. - Abstract: The microstructure and mechanical properties of friction stir spot welding of ultrahigh strength dual phase (DP) and complex phase (DP) steels are compared based on the experimental results. For both DP and CP steels, FSSW joints are successfully fabricated using the same process parameter set. While the microstructure of joints are characterized in detail using scanning electron microscopy, electron back scattered diffraction, and transmission electron microscopy, the mechanical property of joints are evaluated by shear tensile tests. The result of the microstructural analysis shows that the stir zone (SZ) of CP steel mainly consists of bainite and martensite, while no bainite is identified in the SZ of DP steel. The existence of bainite in the SZ of CP steel suggests that the cooling rate, which is nearly identical for both CP and DP steels, was not fast enough to suppress the effect of the alloying composition, particularly that of Mn, on the phase transformation. The result of the present study contributes to the development of solid state joining process of the ultrahigh strength steels.

36 MATERIALS SCIENCE↗

A note on the analytic structure of celestial amplitudes

Celestial amplitudes, obtained by applying Mellin transform and analytic continuation on “ordinary” amplitudes, have interesting properties which may provide useful insights on the underlying theory. Their analytic structures are thus of great interest and need to be better understood. In this paper, we critically examine the analytic structure of celestial amplitudes in a massless low-energy effective field theory. We find that, fixed-order loop contributions, which generate multipoles on the negative β-plane, in general do not provide an accurate description of the analytic structure of celestial amplitudes. By resumming over the leading logarithmic contributions using renormalization group equations (RGEs), we observe much richer analytic structures, which generally contain branch cuts. It is also possible to generate multipoles or shifted single poles if the RGEs satisfy certain relations. Including sub-leading logarithmic contributions is expected to introduce additional corrections to the picture. However, without a new approach, it is difficult to make a general statement since the analytic form of the Mellin transform is challenging to obtain.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Large-scale production of (GeTe) x (AgSbTe 2 ) 100$-$x (x=75, 80, 85, 90) with enhanced thermoelectric properties via gas-atomization and spark plasma sintering

(GeTe) x (AgSbTe 2 ) 100$-$x : TAGS thermoelectrics are an attractive class of materials due to their combination of non-toxicity and good conversion efficiency at mid-temperature ranges. Here in the present work, we have utilized energy and time efficient high-pressure gas atomization and spark-plasma sintering techniques for large-scale preparation of samples with varying composition (i.e., (GeTe) x (AgSbTe 2 ) 100$-$x where x = 75, 80, 85, and 90). High-temperature x-ray diffraction was used to understand the phase transformation mechanism of the as-atomized powders. Detailed high-resolution transmission electron microscopy of the sintered samples revealed the presence of nanoscale precipitates, antiphase, and twin boundaries. The nanoscale twins and antiphase boundaries serve as phonon scattering centers, leading to the reduction of total thermal conductivity in TAGS-80 and 90 samples. The maximum ZT obtained was 1.56 at 623 K for TAGS-90, which was ~94% improvement compared to values previously reported. The presence of the twin boundaries also resulted in a high fracture toughness (K IC ) of the TAGS-90 sample due to inhibition of dislocation movement at the twin boundary.

36 MATERIALS SCIENCE↗

Machine learning applied to retrieval of temperature and concentration distributions from infrared emission measurements

Inversion of temperature and species concentration distributions from radiometric measurements involves solving nonlinear, ill-posed and high-dimensional problems. Machine Learning methods offer solving such highly nonlinear problems, offering an alternative way to deal with complex and dynamic systems with good flexibility. Here, we present a machine learning approach for retrieving temperatures and species concentrations from spectral infrared emission measurements in combustion systems. The training spectra for the machine learning model were synthesized through calculations from HITEMP 2010 for gas mixtures of CO 2 , H 2 O, and CO. The method was tested for different line-of-sight temperature and concentration distributions, different gas path lengths and different spectral intervals. Experimental validation was carried out by measuring spectral emission from a Hencken flat flame burner with a Fourier-transform infrared spectrometer with different spectral resolutions. The temperature fields above the burner for combustion with equivalence ratios of 𝜙 = 1, 𝜙 = 0.8, and 𝜙 = 1.4 were retrieved and were in excellent agreement with temperatures deduced from Rayleigh scattering thermometry.

47 OTHER INSTRUMENTATION↗

Cold atmospheric plasma jet in an axial DC electric field

Cold atmospheric plasma (CAP) jet is currently intensively investigated as a tool for new and potentially transformative cancer treatment modality. However, there are still many unknowns about the jet behavior that requires attention. In this paper, a helium CAP jet is tested in an electrostatic field generated by a copper ring. Using Rayleigh microwave scattering method, some delays of the electron density peaks for different ring potentials are observed. Meanwhile, a similar phenomenon associated with the bullet velocity is found. Chemical species distribution along the jet is analyzed based on the jet optical emission spectra. The spectra indicate that a lower ring potential, i.e., lower DC background electric field, can increase the amount of excited N{sub 2}, N{sub 2}{sup +}, He, and O in the region before the ring, but can decrease the amount of excited NO and HO almost along the entire jet. Combining all the results above, we discovered that an extra DC potential mainly affects the temporal plasma jet properties. Also, it is possible to manipulate the chemical compositions of the jet using a ring with certain electric potentials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Spectral Radiative Properties of Polydispersed SiO 2 Particle Beds

The focus of this work is on the measurement and analysis of the radiative properties of polycrystalline SiO 2 particle beds with various layer thicknesses. The particles are polydispersed with average diameters of 222, 150, and 40 μm . The spectral, directional–hemispherical reflectance and transmittance of the particle bed are measured at wavelengths from 0.4 to 1.8 μm using a monochromator, and the reflectance measurement is extended to 15 μm using a Fourier-transform infrared spectrometer. Particles are closely packed between two transparent windows for measuring the radiative properties. In the visible and near-infrared region up to 1.8 μm, the inverse adding–doubling method yields the effective absorption and scattering coefficients. The results suggest that short wavelength absorption needs to be included in modeling the behavior of particle beds due to multiple scattering. A discrete-scale Monte Carlo ray-tracing method is developed to model the radiative properties by assuming monodispersed spherical particles, and the simulated results compare well with measurements. The effective absorption and scattering coefficients of the particle beds obtained from the independent scattering theory are compared to those from the inverse method. As a result, the impact of dependent scattering on the packed beds is observed for smaller-sized particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Photon Harvesting and Rocky Planet Biosignatures with 3D Climate Models

On the Earth solar photons are collected, sifted, and harvested by life at a scale that has transformed and defined the planet and continues to do so. That transformation is considered to be a key biosignature to look for in the rocky exoplanet population of our galaxy. However, the availability of photons on planetary surfaces depends on orbital and spin configuration as well as shadowing and scattering by clouds and other atmospheric phenomena. We are using a state-of-the-art 3D climate model (ROCKE-3D, Way et al. 2017) to study rocky planet surface irradiances and the implications for biosignatures and future missions such as the Habitable Worlds Observatory.

exoplanets↗

Polarized View of Supercooled Liquid Water Clouds

Supercooled liquid water (SLW) clouds, where liquid droplets exist at temperatures below 0 C present a well known aviation hazard through aircraft icing, in which SLW accretes on the airframe. SLW clouds are common over the Southern Ocean, and climate-induced changes in their occurrence is thought to constitute a strong cloud feedback on global climate. The two recent NASA field campaigns POlarimeter Definition EXperiment (PODEX, based in Palmdale, California, January-February 2013) and Studies of Emissions and Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS, based in Houston, Texas in August- September 2013) provided a unique opportunity to observe SLW clouds from the high-altitude airborne platform of NASA's ER-2 aircraft. We present an analysis of measurements made by the Research Scanning Polarimeter (RSP) during these experiments accompanied by correlative retrievals from other sensors. The RSP measures both polarized and total reflectance in 9 spectral channels with wavelengths ranging from 410 to 2250 nm. It is a scanning sensor taking samples at 0.8deg intervals within 60deg from nadir in both forward and backward directions. This unique angular resolution allows for characterization of liquid water droplet size using the rainbow structure observed in the polarized reflectances in the scattering angle range between 135deg and 165deg. Simple parametric fitting algorithms applied to the polarized reflectance provide retrievals of the droplet effective radius and variance assuming a prescribed size distribution shape (gamma distribution). In addition to this, we use a non-parametric method, Rainbow Fourier Transform (RFT),which allows retrieval of the droplet size distribution without assuming a size distribution shape. We present an overview of the RSP campaign datasets available from the NASA GISS website, as well as two detailed examples of the retrievals. In these case studies we focus on cloud fields with spatial features varying between glaciated and liquid phases at altitudes as high as 10 km, which correspond to temperatures close to the homogeneous freezing temperature of pure water drops (about -35 C or colder). The multimodal droplet size distributions retrieved from RSP data in these cases are consistent with the multi-layer cloud structure observed by correlative Cloud Physics Lidar (CPL) measurements.

Clouds↗

SU-F-I-10: Spatially Local Statistics for Adaptive Image Filtering

Purpose: To facilitate adaptive image filtering operations, addressing spatial variations in both noise and signal. Such issues are prevalent in cone-beam projections, where physical effects such as X-ray scattering result in spatially variant noise, violating common assumptions of homogeneous noise and challenging conventional filtering approaches to signal extraction and noise suppression. Methods: We present a computational mechanism for probing into and quantifying the spatial variance of noise throughout an image. The mechanism builds a pyramid of local statistics at multiple spatial scales; local statistical information at each scale includes (weighted) mean, median, standard deviation, median absolute deviation, as well as histogram or dynamic range after local mean/median shifting. Based on inter-scale differences of local statistics, the spatial scope of distinguishable noise variation is detected in a semi- or un-supervised manner. Additionally, we propose and demonstrate the incorporation of such information in globally parametrized (i.e., non-adaptive) filters, effectively transforming the latter into spatially adaptive filters. The multi-scale mechanism is materialized by efficient algorithms and implemented in parallel CPU/GPU architectures. Results: We demonstrate the impact of local statistics for adaptive image processing and analysis using cone-beam projections of a Catphan phantom, fitted within an annulus to increase X-ray scattering. The effective spatial scope of local statistics calculations is shown to vary throughout the image domain, necessitating multi-scale noise and signal structure analysis. Filtering results with and without spatial filter adaptation are compared visually, illustrating improvements in imaging signal extraction and noise suppression, and in preserving information in low-contrast regions. Conclusion: Local image statistics can be incorporated in filtering operations to equip them with spatial adaptivity to spatial signal/noise variations. An efficient multi-scale computational mechanism is developed to curtail processing latency. Spatially adaptive filtering may impact subsequent processing tasks such as reconstruction and numerical gradient computations for deformable registration. NIH Grant No. R01-184173.

60 APPLIED LIFE SCIENCES↗

Electron scattering mechanisms in Cu-Mn films for interconnect applications

Electrical properties and corresponding structural features of Cu-Mn alloy films with potential application as barrier and interconnect layers were studied. Cu-Mn films were deposited by DC magnetron sputtering at room temperature on SiO{sub 2} substrates. Electrical resistivity measurements were made as a function of film composition and temperature. The specific resistivity varies linearly with the Mn content showing a maximum of 205 μΩcm at 80 at. % Mn. The temperature coefficient of resistance (TCR) of all alloy films is low, showing non-metallic conductivity for most compositions. Also a minimum TCR has been observed in the 40–80 at. % Mn range which was attributed to a magnetic transformation around 200–300 K. Electrical resistivity measurements are correlated with the film structure revealed by transmission electron microscopy to clarify the phase regions throughout the composition range. In the 20–40 at. % and 70–80 at. % Mn ranges, two-phase structures were identified, where Cu- or Mn-rich solid solution grains were surrounded by a thin amorphous covering layer. Based on the revealed phase regions and morphologies electron scattering mechanisms in the system were evaluated by combining the Matthiessen's rule and the Mayadas-Schatzkes theory. Grain boundary reflectivity coefficients (r = 0.6–0.8) were calculated from fitting the model to the measurements. The proposed model indicates that, in a binary system, the special arrangement of the two phases results in new scattering mechanisms. The results are of value in optimizing the various parameters needed to produce a suitable barrier layer.

36 MATERIALS SCIENCE↗

Resolving extreme jet substructure

We study the effectiveness of theoretically-motivated high-level jet observables in the extreme context of jets with a large number of hard sub-jets (up to N = 8). Previous studies indicate that high-level observables are powerful, interpretable tools to probe jet substructure for N ≤ 3 hard sub-jets, but that deep neural networks trained on low-level jet constituents match or slightly exceed their performance. We extend this work for up to N = 8 hard sub-jets, using deep particle-flow networks (PFNs) and Transformer based networks to estimate a loose upper bound on the classification performance. A fully-connected neural network operating on a standard set of high-level jet observables, 135 N-subjetiness observables and jet mass, reach classification accuracy of 86.90%, but fall short of the PFN and Transformer models, which reach classification accuracies of 89.19% and 91.27% respectively, suggesting that the constituent networks utilize information not captured by the set of high-level observables. We then identify additional high-level observables which are able to narrow this gap, and utilize LASSO regularization for feature selection to identify and rank the most relevant observables and provide further insights into the learning strategies used by the constituent-based neural networks. The final model contains only 31 high-level observables and is able to match the performance of the PFN and approximate the performance of the Transformer model to within 2%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Identification of Common Types of Plastics by Vibrational Spectroscopic Techniques

Polyethylene Terephthalate (PET), High-Density Polyethylene (HDPE), Polyvinyl Chloride (PVC), Low-Density Polyethylene (LDPE), Polypropylene (PP), and Polystyrene (PS) account for most plastic use worldwide, with production nearing 380 million tons annually. A considerable portion enters municipal solid waste and landfills, creating long-term environmental concerns. Scaling recycling operations requires automated sorting technologies, with spectroscopy and machine learning offering promising solutions. In this study, a six-class convolutional neural network (CNN) was developed for plastic identification using vibrational spectroscopies. Raman Scattering (RS) spectra collected from recycling samples enabled accurate chemical differentiation while assessing the influence of visible features such as color. A CNN trained on RS data achieved 100% classification accuracy. To strengthen field applicability, Attenuated Total Reflectance–Fourier Transform Infrared (ATR-FTIR) spectroscopy was incorporated, achieving 95% accuracy with a similar CNN model. These findings demonstrate the potential of integrating spectroscopy with deep learning for reliable plastic classification, advancing development of scalable, field-ready recycling technologies.

Garcia Tovar, Maria P.↗