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Results for “enhanced sampling”
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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Impact of fused silica debris shields and enhanced mitigation techniques on large-aperture beam-sampling optics for the National Ignition Facility
Here, we show that the large-scale routine use of the fused silica debris shield (FSDS) maintains the ∼100× reduction in damage initiation rate and 70% increase in the install lifetime of a new grating debris shield (GDS) observed during pilot operations. Furthermore, we show that the install lifetimes of recycled GDS optics are nearly tripled using additional mitigation strategies such as expanding mitigation processing to include all damage sites larger than 10 μm (LT10) rather than just larger than 50 μm (LT50) and FSDS. We note that there is still a 50% difference between new and recycled optic installation lifetimes. We show that recycled optics have a 3.5× higher apparent initiation rate than new optics when exposed to nominally identical laser conditions.
Enhancing the Protection of Shielded Thermal Protection Systems in Sample Return Spacecraft Against MMOD Impact
Sample return missions seek to collect samples from planets, moons, asteroids, and other planetary bodies and return them to earth for in-depth analysis. Backward planetary protection requirements are often in place for such missions to prevent the introduction of any extra-terrestrial material into the Earth’s biosphere, which could occur if a meteoroid or space debris particle were to damage a critical part of the returning spacecraft. The ability of a shielding system used to mitigate this damage risk is typically characterized by a ballistic limit equation (BLE), which predicts whether or not a protected system or structural element will sustain a critical failure due to a high-speed impact. In this paper, we develop a particle-impact-based BLE for the thermal protection system (TPS) of a sample return spacecraft that is protected by a multi-shock shield. The predictions of the BLE we develop for TPS failure are shown to be consistent with the predictions of hydrocode simulations.
Nonmethane Hydrocarbon Measurements on the North Atlantic Flight Corridor During SONEX
Mixing ratios of nonmethane hydrocarbons (NMHCS) were not enhanced in whole air samples collected within the North Atlantic Flight Corridor (NAFC) during the fall of 1997. The investigation was conducted aboard NASA's DC-8 research aircraft, as part of the Subsonic Assessment-Ozone and Nitrogen Experiment (SONEX). NMHC enhancements were not detected within the general Organized Tracking System (OTS) of the NAFC, nor during two tail-chases of the DC-8's own exhaust. Because positive evidence of aircraft emissions was demonstrated by enhancements in both nitrogen oxides and condensation nuclei during SONEX, the NMHC results suggest that the commercial air traffic fleet operating in the North Atlantic region does not contribute significantly to NMHCs in the NAFC.
Enhanced lithium ion transport in garnet-type solid state electrolytes
Al-substituted Li 7 La 3 Zr 2 O 12 samples processed under argon show enhanced Li-ion transport and interfacial properties in symmetrical cells with lithium electrodes, compared to those prepared in air. In particular, the samples prepared under argon have higher ionic conductivities and lower interfacial impedances in symmetrical lithium cells, and show better DC cycling characteristics. The electronic conductivities are also somewhat higher. Pellets subjected to thermal treatment under the two types of atmospheres have different colors but exhibit similar microstructures. X-ray diffraction experiments suggest that there are slight structural differences between the two types of samples, but few dissimilarities were observed in elemental composition, distribution of ions, oxidation states, or bond lengths using laser-induced breakdown spectroscopy (LIBS), x-ray photoelectron spectroscopy (XPS), and extended x-ray absorption fine structure spectroscopy (EXAFS) to analyze the materials. Additionally, there was no evidence that La or Zr were reduced during the processing under Ar. Possible explanations for the improved electrochemical properties of the sample prepared under Ar compared to the one prepared in air include differences in grain boundary chemistries and conductivities and/or a small concentration of oxygen vacancies in the former.
Reactive Monte Carlo sampling with an ab initio potential
We present the first application of reactive Monte Carlo in a first-principles context. The algorithm samples in a modified NVT ensemble in which the volume, temperature, and total number of atoms of a given type are held fixed, but molecular composition is allowed to evolve through stochastic variation of chemical connectivity. We discuss general features of the method, as well as techniques needed to enhance the efficiency of Boltzmann sampling. Finally, we compare the results of simulation of NH{sub 3} to those of ab initio molecular dynamics (AIMD). We find that there are regions of state space for which RxMC sampling is much more efficient than AIMD due to the “rare-event” character of chemical reactions.
Synthesis of α-Fe{sub 2}O{sub 3}-functionalised graphene oxide nanocomposite by a facile low temperature method and study of its magnetic and hyperfine properties
Highlights: • Synthesis of reduced graphene oxide (rGO)/α-Fe{sub 2}O{sub 3} nanocomposites (NCs) by sol–gel method. • Samples exhibited ferromagnetism originated due to surface canted spins. • rGO enhanced the value of saturation magnetization and coercivity of the bare nanoparticle. • RKKY coupling between the isolated rGO spins and the magnetic nanoparticles. - Abstract: Reduced graphene oxide/α-Fe{sub 2}O{sub 3} nanocomposites were synthesized by a simple sol–gel method. Initially, the samples were investigated by X-ray diffraction, high resolution transmission electron microscopy and Raman spectroscopy. High resolution transmission electron micrographs indicate that the magnetic nanoparticles are well dispersed in the reduced graphene oxide sheet-like structure. Fourier transform infrared spectroscopy studies corroborate the results obtained by X-ray diffraction. Temperature as well as field dependent magnetic measurements revealed ferromagnetism in the pristine α-Fe{sub 2}O{sub 3} as well as in the nanocomposite sample that is attributed to surface canted spins and defects present in the samples. The enhanced value of coercivity in case of the nanocomposite sample could be ascribed to the Ruderman–Kittel–Kasuya–Yosida type of interaction between the isolated reduced graphene oxide spin and the magnetic ions. Presence of super paramagnetic doublet as well as sextet patterns related to hematite phase is confirmed by the {sup 57}Fe-Mössbauer spectroscopy.
Role of Intersections in Fracture Connectivity
Networks of intersecting fractures often provide the flow paths through subsurface reservoirs. Assessing network connectivity is challenging because fracture intersections compose a vanishingly small fraction of the network void volume. In this paper, motivated by 3D X-ray imaging of the simplest element of fracture network, that is, two orthogonal fractures, we perform a percolation and finite-size scaling analysis to study the connectivity provided by fracture intersections. The conditions when an intersection enhances connectivity across a sample depend on spatial correlations in the fracture aperture distributions, on the stress state, and on the direction of flow. Here we consider three flow directions: (a) across intersections, (b) parallel to intersections and (c) around corners. For (a), intersections provide minimal enhancement of connectivity because they contribute little additional void area. For (b), intersections increase the probability of a connected path near threshold by enabling 3D connected pathways that are not possible in parallel fractures. Flow around corners, (c), is fundamentally the result of the intersection connecting two fractures in series and spatial correlations are broken around corners, suppressing the connectivity relative to (a). When the connected fractures are stressed equally, a joint percolation threshold emerges that continues to have scale invariance. However, when the fractures are stressed unequally, the system has mixed percolation without clearly defined percolation thresholds. In all cases, percolation probabilities are found to be scale dependent which has important consequences for the connectivity of larger fracture networks composed of the fundamental element studied here.
Enhancing high-fidelity neural network potentials through low-fidelity sampling
The efficacy of neural network potentials (NNPs) critically depends on the quality of the configurational datasets used for training. Prior research using empirical potentials has shown that well-selected liquid–solid transitional configurations of a metallic system can be translated to other metallic systems. This study demonstrates that such validated configurations can be relabeled using density functional theory (DFT) calculations, thereby enhancing the development of high-fidelity NNPs. Training strategies and sampling approaches are efficiently assessed using empirical potentials and subsequently relabeled via DFT in a highly parallelized fashion for high-fidelity NNP training. Our results reveal that relying solely on energy and force for NNP training is inadequate to prevent overfitting, highlighting the necessity of incorporating stress terms into the loss functions. To optimize training involving force and stress terms, we propose employing transfer learning to fine-tune the weights, ensuring that the potential surface is smooth for these quantities composed of energy derivatives. This approach markedly improves the accuracy of elastic constants derived from simulations in both empirical potential-based NNPs and relabeled DFT-based NNPs. Overall, this study offers significant insights into leveraging empirical potentials to expedite the development of reliable and robust NNPs at the DFT level.
An oil-in-water self-assembly synthesis, characterization and photocatalytic properties of nano Ag@AgCl surface-sensitized K{sub 2}Ti{sub 4}O{sub 9}
Highlights: • The plasmatic Ag@AgCl surface-sensitized K{sub 2}Ti{sub 4}O{sub 9} composite photocatalysts. • Ag@AgCl greatly increased visible light absorption for K{sub 2}Ti{sub 4}O{sub 9}. • The photocatalysts exhibited enhanced photocatalytic dye degradation. - Abstract: Nano-sized plasmonic Ag@AgCl surface-sensitized K{sub 2}Ti{sub 4}O{sub 9} composite photocatalysts (hereafter designated as Ag@AgCl/K{sub 2}Ti{sub 4}O{sub 9}) was synthesized via a facile oil-in-water self-assembly method. The photocatalytic activity of the prepared materials for RhB (Rhodamine B) degradation was examined under visible light irradiation. The results reveal that the size of Ag@AgCl, which evenly dispersed on the surface of K{sub 2}Ti{sub 4}O{sub 9}, distributes about 20–50 nm. The UV–vis diffuse reflectance spectra indicate that Ag@AgCl/K{sub 2}Ti{sub 4}O{sub 9} samples have a significantly enhanced optical absorption in 380–700 nm. The photocatalytic activities of the Ag@AgCl/K{sub 2}Ti{sub 4}O{sub 9} samples increase first and then decrease with increasing amount of loading Ag@AgCl and the Ag@AgCl(20 wt.%)/K{sub 2}Ti{sub 4}O{sub 9} sample exhibits the best photocatalytic activity and 94.47% RhB was degraded after irradiation for 2 h. Additionally, studies performed using radical scavengers indicated that O{sub 2}·{sup −} and Cl{sup 0} acted as the main reactive species. The electronic interaction was systematically studied and confirmed by the photo-electrochemical measurements.
Stimulated resonant inelastic X-ray scattering in a solid
Abstract When materials are exposed to X-ray pulses with sufficiently high intensity, various nonlinear effects can occur. The most fundamental one consists of stimulated electronic decays after resonant absorption of X-rays. Such stimulated decays enhance the number of emitted photons and the emission direction is confined to that of the stimulating incident photons which clone themselves in the process. Here we report the observation of stimulated resonant elastic (REXS) and inelastic (RIXS) X-ray scattering near the cobalt L 3 edge in solid Co/Pd multilayer samples. We observe an enhancement of order 10 6 of the stimulated over the conventional spontaneous RIXS signal into the small acceptance angle of the RIXS spectrometer. We also find that in solids both stimulated REXS and RIXS spectra contain contributions from inelastic electron scattering processes, even for ultrashort 5 fs pulses. Our results reveal the potential and caveats of the development of stimulated RIXS in condensed matter.
Valley pumping via edge states and the nonlocal valley Hall effect in two-dimensional semiconductors
Recent experiments have studied the temperature and gate voltage dependence of nonlocal transport in bilayer graphene, identifying features thought to be associated with the two-dimensional semiconductor's bulk intrinsic valley Hall effect. Here, we use both simple microscopic tight-binding ribbon models and phenomenological bulk transport equations to emphasize the impact of sample edges on the nonlocal voltage signals. We show that the nonlocal valley Hall response is sensitive to electronic structure details at the sample edges and that it is enhanced when the local longitudinal conductivity is larger near the sample edges than in the bulk. We discuss recent experiments in light of these findings and also discuss the close analogy between electron pumping between valleys near two-dimensional sample edges in the valley Hall effect and bulk pumping between valleys due to the chiral anomaly in three-dimensional topological semimetals.
Unraveling resistive versus collisional contributions to relativistic electron beam stopping power in cold-solid and in warm-dense plasmas
We present results on laser-driven relativistic electron beam propagation through aluminum samples, which are either solid and cold or compressed and heated by laser-induced shock. A full numerical description of fast electron generation and transport is found to reproduce the experimental absolute K{sub α} yield and spot size measurements for varying target thicknesses, and to sequentially quantify the collisional and resistive electron stopping powers. The results demonstrate that both stopping mechanisms are enhanced in compressed Al samples and are attributed to the increase in the medium density and resistivity, respectively. For the achieved time- and space-averaged electronic current density, 〈j{sub h}〉∼8×10{sup 10} A/cm{sup 2} in the samples, the collisional and resistive stopping powers in warm and compressed Al are estimated to be 1.5 keV/μm and 0.8 keV/μm, respectively. By contrast, for cold and solid Al, the corresponding estimated values are 1.1 keV/μm and 0.6 keV/μm. Prospective numerical simulations involving higher j{sub h} show that the resistive stopping power can reach the same level as the collisional one. In addition to the effects of compression, the effect of the transient behavior of the resistivity of Al during relativistic electron beam transport becomes progressively more dominant, and for a significantly high current density, j{sub h}∼10{sup 12} A/cm{sup 2}, cancels the difference in the electron resistive stopping power (or the total stopping power in units of areal density) between solid and compressed samples. Analytical calculations extend the analysis up to j{sub h}=10{sup 14} A/cm{sup 2} (representative of the full-scale fast ignition scenario of inertial confinement fusion), where a very rapid transition to the Spitzer resistivity regime saturates the resistive stopping power, averaged over the electron beam duration, to values of ∼1 keV/μm.
SUBMILLIMETER-HCN DIAGRAM FOR ENERGY DIAGNOSTICS IN THE CENTERS OF GALAXIES
Compiling data from literature and the Atacama Large Millimeter/submillimeter Array archive, we show enhanced HCN(4–3)/HCO{sup +}(4–3) and/or HCN(4–3)/CS(7–6) integrated intensity ratios in circumnuclear molecular gas around active galactic nuclei (AGNs) compared to those in starburst (SB) galaxies (submillimeter HCN enhancement). The number of sample galaxies is significantly increased from our previous work. We expect that this feature could potentially be an extinction-free energy diagnostic tool of nuclear regions of galaxies. Non-LTE radiative transfer modelings of the above molecular emission lines involving both collisional and radiative excitation, as well as a photon trapping effect, were conducted to investigate the cause of the high line ratios in AGNs. As a result, we found that enhanced abundance ratios of HCN to HCO{sup +} and HCN to CS in AGNs as compared to SB galaxies by a factor of a few to even ≳10 are a plausible explanation for the submillimeter HCN enhancement. However, a counterargument of a systematically higher gas density in AGNs than in SB galaxies can also be a plausible scenario. Although we cannot fully distinguish these two scenarios at this moment owing to an insufficient amount of multi-transition, multi-species data, the former scenario is indicative of abnormal chemical composition in AGNs. Regarding the actual mechanism to realize the composition, we suggest that it is difficult with conventional gas-phase X-ray-dominated region ionization models to reproduce the observed high line ratios. We might have to take into account other mechanisms such as neutral–neutral reactions that are efficiently activated in high-temperature environments and/or mechanically heated regions to further understand the high line ratios in AGNs.
The SRG/eROSITA All-Sky Survey: Optical identification and properties of galaxy clusters and groups in the western galactic hemisphere
The first SRG/eROSITA All-Sky Survey (eRASS1) provides the largest intracluster medium-selected galaxy cluster and group catalog covering the western Galactic hemisphere. Compared to samples selected purely on X-ray extent, the sample purity can be enhanced by identifying cluster candidates using optical and near-infrared data from the DESI Legacy Imaging Surveys. Using the red-sequence-based cluster findereROMaPPer, we measured individual photometric properties (redshiftz λ , richnessλ, optical center, and BCG position) for 12000 eRASS1 clusters over a sky area of 13 116 deg 2 , augmented by 247 cases identified by matching the candidates with known clusters from the literature. The median redshift of the identified eRASS1 sample isz= 0.31, with 10% of the clusters atz> 0.72. The photometric redshifts have an accuracy ofδz/(1 +z) ≲ 0.005 for 0.05 specand velocity dispersionσ) were measured a posteriori for a subsample of 3210 and 1499 eRASS1 clusters, respectively, using an extensive compilation of spectroscopic redshifts of galaxies from the literature. We infer that the primary eRASS1 sample has a purity of 86% and optical completeness >95% forz> 0.05. For these and further quality assessments of the eRASS1 identified catalog, we applied our identification method to a collection of galaxy cluster catalogs in the literature, as well as blindly on the full Legacy Surveys covering 24069 deg 2 . Using a combination of these cluster samples, we investigated the velocity dispersion-richness relation, finding that it scales with richness as log(λ norm ) = 2.401 × log(σ) − 5.074 with an intrinsic scatter ofδ in = 0.10 ± 0.01 dex. The primary product of our work is the identified eRASS1 cluster catalog with high purity and a well-defined X-ray selection process, opening the path for precise cosmological analyses presented in companion papers.
In-situ generation of carrier gases for scientific analyses on Mars
The search for useful raw materials on planetary surfaces will involve various scientific analyses of soil and rock samples. The devices performing these measurements often require inert carrier gases for moving analytes and purging instrumentation. At present, the carrier or sweep gas must be carried from Earth in a compressed gas cylinder, and so the supply of this depletable resource sets a hard limit on the (flexible) life span of the experiment. If a suitable carrier gas could be produced in-situ, then the scientific return of exploration missions could be extended and enhanced greatly. Many more samples could be analyzed, long-ranging rovers could have independent gas supplies, and designs could have added flexibility with respect to gas consumption.
NOvA 2024 official data release (26.61E20 neutrino + 12.5E20 antineutrino)
This data release corresponds to the Bayesian 2024 analysis of NOvA $\nu_e$ appearance and $\nu_{\mu}$ disappearance data, corresponding to analysis described in https://arxiv.org/abs/2509.04361. File `NOvA_2024_data_histograms.root` contains data histograms for all the NOvA data samples. Exposure: * neutrino-enhanced beam: 26.61E20 protons on target * antineutrino-enhanced beam: 12.5E20 protons on target External constraints: * ss2th12=0.851, dm21=7.53e-5 are fixed at 2019 PDG values, with negligible effect on NOvA predictions. * ss2th13 & dm32: * RCDB1D: 1D constraint from Daya Bay for ss2th13, 0.0851+/-0.0024 * RCDB2D: Correlated 2D constraint from Daya Bay on ss2th13 & dm32, available in their official 2023 data release: https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.130.161802#supplemental An additional file containing the predictions (`NOvA_2024_prediction_with_systs_histograms.root`) for all channels’ signal and background components computed at the NOvA best-fit oscillation parameters and systematic pull terms. Numu samples include the no-oscillation case as well. Please note that any fits performed with these histograms are not expected to exactly reproduce the official NOvA results as parameterizations of the numerous systematic uncertainties considered in the official fits are not included in this release. The zip file also contains the 2D credible interval contours, with details in a README.md
Sampling of prenatal and postnatal offspring from individual rat dams enhances animal use without compromising development
To assess prenatal and postnatal developmental status in the offspring of a group of animals, it is typical to examine fetuses from some of the dams as well as infants born to the remaining dams. Statistical limitations often arise, particularly when the animals are rare or especially precious, because all offspring of the dam represent only a single statistical observation; littermates are not independent observations (biologically or statistically). We describe a study in which pregnant laboratory rats were laparotomized on day 7 of gestation (GD7) to ascertain the number and distribution of uterine implantation sites and were subjected to a simulated experience on a 10-day space shuttle flight. After the simulated landing on GD18, rats were unilaterally hysterectomized, thus providing a sample of fetuses from 10 independent uteruses, followed by successful vaginal delivery on GD22, yielding postnatal samples from 10 uteruses. A broad profile of maternal and offspring morphologic and physiologic measures indicated that these novel sampling procedures did not compromise maternal well-being and maintained normal offspring development and function. Measures included maternal organ weights and hormone concentrations, offspring body size, growth, organ weights, sexual differentiation, and catecholamine concentrations.