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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ion emission from warm dense matter produced by irradiation with a soft x-ray free-electron laser

Here we report on an experiment performed at the FLASH2 free-electron laser (FEL) aimed at producing warm dense matter via soft x-ray isochoric heating. In the experiment, we focus on study of the ions emitted during the soft x-ray ablation process using time-of-flight electron multipliers and a shifted Maxwell–Boltzmann velocity distribution model. We find that most emitted ions are thermal, but that some impurities chemisorbed on the target surface, such as protons, are accelerated by the electrostatic field created in the plasma by escaped electrons. The morphology of the complex crater structure indicates the presence of several ion groups with varying temperatures. We find that the ion sound velocity is controlled by the ion temperature and show how the ion yield depends on the FEL radiation attenuation length in different materials.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Discerning the thermodynamic feasibility of the spontaneous coexistence of multiple functional vegetation groups

Can the Second Law of Thermodynamics explain why ecosystems naturally organize into a complex structure composed of multiple vegetation species and functional groups? Ecosystem structure, which refers to the number and type of plant functional groups, is the result of self-organization, or the spontaneous emergence of order from random fluctuations. By considering ecosystems as open thermodynamic systems, we model and study these fluctuations of throughput signatures on short timescales to determine the drivers and characteristics of ecosystem structure. This diagnostic approach allows us to use fluxes of energy and entropy to calculate an ecosystem’s estimated work and understand the thermodynamic behavior of the system. We use a multi-layer canopy-root-soil model to calculate the energy and entropy fluxes of different scenarios for field sites across various climates. At each site, scenarios comprised of native individual plant functional groups and a coexisting multi-group composition scenario including all functional groups observed at the site are compared. Ecosystem-scale calculations demonstrate that entropy fluxes and work efficiency—the work performed for the amount of radiation entering the ecosystem—are greatest in the multi-group scenario when its leaf area is significantly larger than each of its individual functional groups. Thus, we conclude that ecosystems self-organize towards the vegetation structure with the greatest outgoing entropy flux and work efficiency, resulting in the coexistence of multiple functional groups and performing the maximum amount of work within the constraints of locally available energy, water, and nutrients.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Synthesis of TiO{sub 2} nanoparticles decorated with gold nanoclusters using pulsed laser ablation in liquid

Amorphous spherical titanium dioxide (TiO{sub 2}) nanoparticles, decorated gold nanoparticles, are shown to be formed under irradiation of commercial TiO{sub 2} nanopowders dispersed in aqueous solution of hydrogen tetrachloroaurate (HAuCl{sub 4}) by second-harmonic nanosecond pulses of an Nd : YAG laser. It is found that these hybrid nanostructures are formed during laser-induced remelting of the initial nanoparticles, stimulated by gold nanoclusters (providing more efficient absorption of visible laser radiation by titanium dioxide) recovered on their surface. The morphology and chemical composition of the newly formed hybrid nanomaterials are investigated in detail by electron microscopy, Raman spectroscopy, and energy-dispersive analysis. It is shown that the average size and number of gold nanoparticles recovered on the TiO{sub 2} surface can be controlled by varying the concentration ratio of the initial nanomaterial and HAuCl{sub 4}. A spectroscopic analysis of light scattering by single hybrid nanoparticles and the results of numerical calculation of the structure of electromagnetic fields near their surface indicate good prospects of these hybrid nanomaterials for various applications in modern optics, optoelectronics, and nanophotonics; for example, for designing chemo- and biosensor platforms and new-generation solar cells. (nanoparticles)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Single-shot imaging with randomized structured illumination at a free electron laser

Stroboscopic nanoscale imaging with free electron laser light is revolutionizing our understanding of fast dynamics in heterogeneous systems. The short wavelength of X-ray and extreme ultraviolet radiation makes it possible to achieve nanoscale resolution, while resonance with atomic transitions gives access to electronic and magnetic degrees of freedom. Here, we report on our implementation of a recently developed imaging method, randomized probe imaging, at a free electron laser. The advantage of randomized probe imaging over existing methods is its compatibility with extended and strongly scattering samples. Our implementation delivers robust single-shot reconstructions at up to a full-pitch resolution of 400 nm over a field of view with a 40 µm diameter. We also demonstrate single-shot imaging of magnetic domain structures using circular dichroism at resonance, paving the way to future time-resolved studies of magnetic dynamics, shock physics, and the dynamics of collective electronic phases.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Uranium integral fission product yields for a spectrally-shaped 14.1 MeV neutron source at the National Ignition Facility

This paper describes the experimental results for an energy tuning assembly created to modify the National Ignition Facility deuterium–tritium fusion neutron source into a notional thermonuclear and prompt fission neutron spectrum, which has applications in integral measurements, nuclear data benchmarks, and radiation effects on microelectronics. The Monte Carlo neutron transport utilized MCNP5 to estimate the ETA-modified fluence using the ENDF-B/VIII.0 and IRDFF-II continuous energy nuclear data libraries, and SCALE Sampler was used to estimate the systematic nuclear data covariance using ENDF-B/VII.1 and IRDFF-II in a 252-group structure. The experiment fielded eight activation foils and a highly enriched uranium sample. This provided fifteen reaction channels that were used in a forward-fit comparison to the modeled results and to unfold the neutron spectrum using STAYSL. Gamma-ray spectrometry was performed on the activation and highly enriched uranium foils, and the reduced Χ 2 between the modeled and experimental values was 1.21. The results from the STAYSL unfold, reduced Χ 2 = 1.62, indicated that the modeled neutron spectrum was achieved and the systematic nuclear data uncertainty associated with the neutron transport and activation product cross sections was representative of the experiment. Integral cumulative fission product yield data were collected for 37 mass chains with a combination of gamma-ray spectrometry and radiochemical analysis. Fission product analysis was generally in agreement with two models using a semi-empirical fit and the General Observables of Fission code, with the exception of mass chains 88, 109, 111, 112, 113, 129, 139, 142, 144, 151, and 156.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Phase-Field Modeling of Materials Interfaces and Nanostructures

Nanostructured materials offer unique properties for a wide range of energy applications. Among various known processing methods, liquid metal dealloying (LMD)—the selective dissolution of a base alloy element into a metallic melt—has emerged as a powerful technique to produce a new class of nano-/meso-scale open porous and bicontinuous composite structures with ultra-high interfacial area. LMD has recently been complemented by the advent of vapor phase dealloying (VPD), a novel technique that exploits the selective evaporation of one element from a parent alloy containing elements with very different vapor pressures, thereby enabling to fabricate open nanoporous structures of various elements from less-noble metals to inorganic elements regardless of their chemical activity without requiring high LMD temperatures and chemical etching. Together LMD and VPD have greatly expanded the scope of dealloying techniques, limited by traditional electrochemical means to noble metals, and boosted the design of new functional and structural materials that combine a wide variety of elements. Topologically-connected open porous structures with ultra-high surface area allow mass transport within the structure while preserving structural integrity, enabling them to serve as catalysts, fuel cells, supercapacitors, or high-capacity battery materials. Bicontinuous composite structures in turn can display high strength and high ductility or superior radiation-damage resistance due to the ultra-high interface area between interpenetrating solid phases. This research program makes use of state-of-the-art computational methods to understand at a basic level the self-organizing dealloying process with main focus on dealloying kinetics and interfacial pattern formation at the dealloying front controlling initial structure size, topology, and phase compositions. Phase-field simulation studies of LMD focus on solid solutions, line compounds, and intermetallic systems that can form ternary composites by nucleation and growth of a new phase. Studies of VPD employ phase-field modeling and a hybrid method combining a kinetic Monte Carlo (KMC) model of evaporation and surface diffusion with molecular dynamics for vapor-phase transport inside nanopores. Simulations explore mechanisms of interface- and diffusion-controlled dealloying kinetics, both observed in VPD but not fundamentally understood. In addition, our newly developed multi-physics phase-field approach of large-volume-change phase transformations is being used to model novel 3D anode geometries based on dealloyed nanoporous structures including novel sandwiched graphene/Si/silica for highrate Li ion battery. Those studies are aimed at elucidating geometric design principles that improve mechanical stability. We expect this research to enhance the capability to tailor nano-/mesoscale structures for a wide range of energy-related materials applications and to yield further advances in computational methodologies that benefit a broad materials research community.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Autoionizing Polaritons in Attosecond Atomic Ionization

Light-induced states and Autler-Townes splitting of laser-coupled states are common features in the photoionization spectra of laser-dressed atoms. The entangled light-matter character of metastable Autler-Townes multiplets, which makes them autoionizing polaritons, however, is still largely unexplored. We employ attosecond transient-absorption spectroscopy in argon to study the formation of polariton multiplets between the 3s –1 4p and several light-induced states. We measure a controllable stabilization of the polaritons against ionization, in excellent agreement with ab initio theory. Using an extension of the Jaynes-Cummings model to autoionizing states, we show that this stabilization is due to the destructive interference between the Auger decay and the radiative ionization of the polaritonic components. Furthermore, these results give new insights into the optical control of electronic structure in the continuum and unlock the door to applications of radiative stabilization in metastable polyelectronic systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

New high-throughput endstation to accelerate the experimental optimization pipeline for synchrotron X-ray footprinting

Synchrotron X-ray footprinting (XF) is a growing structural biology technique that leverages radiation-induced chemical modifications via X-ray radiolysis of water to produce hydroxyl radicals that probe changes in macromolecular structure and dynamics in solution states of interest. The X-ray Footprinting of Biological Materials (XFP) beamline at the National Synchrotron Light Source II provides the structural biology community with access to instrumentation and expert support in the XF method, and is also a platform for development of new technological capabilities in this field. Hee, the design and implementation of a new high-throughput endstation device based around use of a 96-well PCR plate form factor and supporting diagnostic instrumentation for synchrotron XF is described. This development enables a pipeline for rapid comprehensive screening of the influence of sample chemistry on hydroxyl radical dose using a convenient fluorescent assay, illustrated here with a study of 26 organic compounds. The new high-throughput endstation device and sample evaluation pipeline now available at the XFP beamline provide the worldwide structural biology community with a robust resource for carrying out well optimized synchrotron XF studies of challenging biological systems with complex sample compositions.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Compound pulse characteristics of a heterogeneous composite scintillator in a gamma-ray field

An important aspect of radiation detection in scintillators is the time dependence of emitted fluorescence, which results in characteristic measured pulse shape. In some materials, a relatively strong dependence of the scintillation pulse shape on stopping power exists, which can provide reliable identification of the incident particle. An alternative method to realize particle identification is by combining materials with different fluorescence lifetimes into heterogeneous structures. Such composite scintillators derive their properties from both the constituent material characteristics and the geometry of the composite structure. In composite scintillators with a high degree of heterogeneous loading, a superposition of fluorescence contributions originating in multiple materials, which is observed as single waveform with an intermediate pulse shape, may affect its ability to reject rays. We measure the time dependence of light output from a scintillator composed of 6 Li-containing glass shards and scintillating polyvinyl toluene and identify events that exhibit such compound behavior when exposed to rays and fast neutrons. We develop a modeling and simulation framework that reproduces the pulse shapes in heterogeneous scintillators and use it study the effect that the weight percentage of 6 Li glass has on rejection. The modeling framework is applied to the experimentally studied scintillator, finding a good agreement. Here, the developed modeling and simulation approach will help optimize the design of heterogeneous scintillators to meet the desired trade-o between neutron capture efficiency and -ray rejection.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Gravitational Form Factors of the Proton from Lattice QCD

The gravitational form factors (GFFs) of a hadron encode fundamental aspects of its structure, including its shape and size as defined from, e.g., its energy density. This Letter presents a determination of the flavor decomposition of the GFFs of the proton from lattice QCD, in the kinematic region 0 ≤−𝑡 ≤2 GeV 2 . The decomposition into up-, down-, strange-quark, and gluon contributions provides first-principles constraints on the role of each constituent in generating key proton structure observables, such as its mechanical radius, mass radius, and 𝐷 term.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Analysis of Coastal Fog from a Ship During the C-FOG Campaign

This work presents ship-based measurements of fog off St John’s Newfoundland on 13 September 2018 during the Coastal Fog (C-FOG) field campaign. The measurements included cloud-particle spectra, cloud-base height and aerosol backscatter, radiation, turbulence, visibility, and sea surface temperature. Radiosonde soundings were made at intervals less than 2 hours. Fog occurred in two episodes under the center of eastward-moving synoptic low-pressure system. The boundary layer structure during the first fog episode consisted of 3 layers, separated by 2 saturated air temperature inversions and capped by a subsidence inversion. The lowest layer was fog and the upper layers were cloud. The second fog episode consisted of one well-mixed fog layer capped by a subsidence inversion. Low wind speeds and stable stratification maintained low surface-layer turbulence during fog. Droplet size distributions had typical bimodal distributions. The visibility correlated with the droplet number concentration and liquid water content. The air temperature was higher than the sea surface temperature for the first 30 minutes of the first fog episode but was colder than the sea for the remainder of all fog. The sensible heat flux was upward, from sea to air, for the first 62 % of the first fog episode and then reversed to downward, from air to sea, for the remainder of the first fog episode and the second fog episode. Here, the counter-gradient heat fluxes observed (i.e., opposite to what is expected from the instantaneous air-sea temperature difference) appear to be related to turbulence, entrainment and stratification in the fog layer that overwhelmed the influence of air-sea temperature difference. While the synoptic-scale dynamics preconditioned the area for fog formation, the final step of fog appearance in this case was nuanced by stratification-turbulence interactions, local advective processes and microphysical environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Mapping foliar photosynthetic capacity in sub-tropical and tropical forests with UAS-based imaging spectroscopy: Scaling from leaf to canopy

Accurate understanding of the variability in foliar physiological traits across landscapes is critical to improve parameterization and evaluation of terrestrial biosphere models (TBMs) that seek to represent the response of terrestrial ecosystems to a changing climate. Numerous studies suggest imaging spectroscopy can characterize foliar biochemical and morphological traits at the canopy scale, but there is only limited evidence for retrieving canopy photosynthetic capacity (e.g., maximum carboxylation rate, V c,max and maximum electron transport rate, J max ). Moreover, the effect of canopy structure within forest communities on scaling up spectra-trait relationships from leaf to canopy level is not well known. To advance the spectra-trait approach and enable the estimation of key traits using remote sensing, we collected imaging spectroscopy data from an Unoccupied Aerial System (UAS) platform over two forest sites in China (a subtropical forest in Mt. Dinghu and a tropical rainforest in Xishuangbanna). At these sites, we also collected ground measurements of leaf spectra and traits, including biochemical (leaf nitrogen, phosphorus, chlorophyll, and water content), morphological (leaf mass per area, LMA) and physiological (V c,max25 and J max25 ) traits (n=135 tree-crowns from 42 species across two sites). Using a partial least-squares regression (PLSR) approach, we built and tested spectra-trait models with repeated cross-validation. The spectral models developed with leaf spectra were directly transferred to canopy spectra to evaluate the effect of canopy structure. Here we further applied canopy spectral models to map these traits at individual tree-crown scale. The results demonstrate that (1) UAS-based canopy spectra can be used to estimate V c,max (R 2 =0.55, nRMSE=11.79%), Jmax (R 2 =0.54, nRMSE=12.34%), and five additional foliar traits (R 2 =0.38-0.60, nRMSE=10.11-13.56%) at the tree-crown scale with demonstrated generalizability across two sites; (2) canopy structure strongly affects the spectratrait relationships from leaf to canopy level, but the effects vary considerably across foliar traits and cannot be well captured by the 4SAIL canopy radiative transfer model. UAS-based imaging spectroscopy maps large variability in all foliar traits (including physiological traits) with spatially explicit information, reproducing the field-observed inter- and intra-specific variations. These results demonstrate the capability of using UAS-based imaging spectroscopy for characterizing the variability of foliar physiological traits at individual tree-crown scale over forest landscapes and highlight the similar generalizability but different biophysical mechanisms underlying spectra-trait relationships at leaf and canopy levels.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Investigation of the Structure of Atomically Dispersed NiN x Sites in Ni and N-Doped Carbon Electrocatalysts by 61 Ni Mössbauer Spectroscopy and Simulations

Ni and nitrogen-doped carbons are selective catalysts for CO 2 reduction to CO (CO 2 R), but the hypothesized NiNx active sites are challenging to probe with traditional characterization methods. Here, we synthesize 61 Ni-enriched model catalysts, termed 61 NiPACN, in order to apply 61 Ni Mössbauer spectroscopy using synchrotron radiation ( 61 Ni-SR-MS) to characterize the structure of these atomically dispersed NiNx sites. First, we demonstrate that the CO 2 R results and standard characterization techniques (SEM, PXRD, XPS, XANES, EXAFS) point to the existence of dispersed Ni active sites. Then, 61 Ni-SR-MS reveal significant internal magnetic fields of ~5.4 T, which is characteristic of paramagnetic, high-spin Ni 2+ , in the 61NiPACN samples. Finally, theoretical calculations for a variety of Ni-N x moieties confirm that high-spin Ni 2+ is stable in non-planar, tetrahedrally distorted geometries, which results in calculated isotropic hyperfine coupling that is consistent with 61 Ni-SR-MS measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

In situ synchrotron pair distribution function analysis to monitor synthetic pathways under electromagnetic excitation

Electromagnetic (EM) fields, specifically microwave radiation (MWR), can significantly influence the synthesis of ceramic oxide materials and promote rapid, low-temperature growth. However, the mechanisms by which EM fields affect the phase formation process are not well understood. A major limitation to increasing this understanding has been the lack of information regarding dynamic changes in local atomic structure during MWR exposure compared to conventional hydrothermal synthesis routes. Here, we utilize in situ synchrotron X-ray pair distribution function (PDF) analysis to monitor MWR-assisted SnO 2 nanoparticle synthesis. A clear impact of the EM field is demonstrated, with MWR inducing changes in nearest neighbor distances and peaks in oxygen atomic displacement that do not occur during synthesis without MWR exposure. The observed local structural disorder serves as a precursor to rapid rutile SnO 2 nanoparticle crystallization, suggesting that EM field-assisted growth is mediated by changes to the oxygen sublattice. These findings further our understanding of the mechanisms underlying MWR-assisted synthesis and represent a step towards utilizing EM fields to engineer tailored atomic structures for a broad range of applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Proton Therapy for Breast Cancer: A Consensus Statement From the Particle Therapy Cooperative Group Breast Cancer Subcommittee

Radiation therapy plays an important role in the multidisciplinary management of breast cancer. Recent years have seen improvements in breast cancer survival and a greater appreciation of potential long-term morbidity associated with the dose and volume of irradiated organs. Proton therapy reduces the dose to nontarget structures while optimizing target coverage. However, there remain additional financial costs associated with proton therapy, despite reductions over time, and studies have yet to demonstrate that protons improve upon the treatment outcomes achieved with photon radiation therapy. There remains considerable heterogeneity in proton patient selection and techniques, and the rapid technological advances in the field have the potential to affect evidence evaluation, given the long latency period for breast cancer radiation therapy recurrence and late effects. In this consensus statement, we assess the data available to the radiation oncology community of proton therapy for breast cancer, provide expert consensus recommendations on indications and technique, and highlight ongoing trials’ cost-effectiveness analyses and key areas for future research.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2022

Electron-Hadron Colliders: EIC, LHeC and FCC-eh

Electron-hadron colliders are the ultimate tool for high-precision quantum chromodynamics studies and provide the ultimate microscope for probing the internal structure of hadrons. The electron is an ideal probe of the proton structure because it provides the unmatched precision of the electromagnetic interaction, as the virtual photon or vector bosons probe the proton structure in a clean environment, the kinematics of which is uniquely determined by the electron beam and the scattered lepton, or the hadronic final state accounting appropriately for radiation. The Hadron Electron Ring Accelerator HERA (DESY, Hamburg, Germany) was the only electron-hadron collider ever operated (1991–2007) and advanced the knowledge of quantum chromodynamics and the proton structure, with implications for the physics studied in RHIC (BNL, Upton, NY) and the LHC (CERN, Geneva, Switzerland). Recent technological advances in the field of particle accelerators pave the way to realize next-generation electron-hadron colliders that deliver higher luminosity and enable collisions in a much broader range of energies and beam types than HERA. Electron-hadron colliders combine challenges from both electron and hadron machines besides facing their own distinct challenges derived from their intrinsic asymmetry. This review paper will discuss the major features and milestones of HERA and will examine the electron-hadron collider designs of the Electron-Ion Collider (EIC) currently under construction at BNL, the CERN’s Large Hadron electron Collider (LHeC), at an advanced stage of design and awaiting approval, and the Future Circular lepton-hadron Collider (FCC-eh).

43 PARTICLE ACCELERATORS↗