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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

The Fiber Optic System for the Advanced Topographic Laser Altimeter System (ATLAS) Instrument

The Advanced Topographic Laser Altimeter System (ATLAS) Instrument has been in integration and testing over the past 18 months in preparation for the Ice, Cloud and Land Elevation Satellite - 2 (ICESat-2) Mission, scheduled to launch in 2017. ICESat-2 is the follow on to ICESat which launched in 2003 and operated until 2009. ATLAS will measure the elevation of ice sheets, glaciers and sea ice or the "cryosphere" (as well as terrain) to provide data for assessing the earth's global climate changes. Where ICESat's instrument, the Geo-Science Laser Altimeter (GLAS) used a single beam measured with a 70 m spot on the ground and a distance between spots of 170 m, ATLAS will measure a spot size of 10 m with a spacing of 70 cm using six beams to measure terrain height changes as small as 4 mm. The ATLAS pulsed transmission system consists of two lasers operating at 532 nm with transmitter optics for beam steering, a diffractive optical element that splits the signal into 6 separate beams, receivers for start pulse detection and a wavelength tracking system. The optical receiver telescope system consists of optics that focus all six beams into optical fibers that feed a filter system that transmits the signal via fiber assemblies to the detectors. Also included on the instrument is a system that calibrates the alignment of the transmitted pulses to the receiver optics for precise signal capture. The larger electro optical subsystems for transmission, calibration, and signal receive, stay aligned and transmitting sufficiently due to the optical fiber system that links them together. The robust design of the fiber optic system, consisting of a variety of multi fiber arrays and simplex assemblies with multiple fiber core sizes and types, will enable the system to maintain consistent critical alignments for the entire life of the mission. Some of the development approaches used to meet the challenging optical system requirements for ATLAS are discussed here.

global climate changes↗
DOE OSTI2021

ESI-MS Identification of the Cationic Phosphine-Ligated Gold Clusters Au1-Au22: Insight into the Gold-Ligand Ratio and Abundance of Larger Clusters

Triphenylphosphine (PPh3)-ligated gold clusters offer promising potential applications due to their relative ease of synthesis and usefulness in forming advanced cluster architectures. While previous studies reported cationic PPh3-ligated gold clusters with core sizes of Au1 - Au4, Au6 - Au11, and Au¬13 - Au14, there has not been definitive identification by mass spectrometry of larger clusters in the Au12 - Au25¬ range. Herein, we survey a polydisperse solution of cationic PPh3-ligated gold clusters using high mass-resolution (M/?M = 60,000) electrospray ionization mass spectrometry (ESI-MS). To improve the sensitivity and mass resolution of larger clusters for unambiguous identification, we increased the number of scan averages and reduced the range of mass collection windows to 200 m/z, thereby mitigating potential mass and ion abundance bias resulting from smaller “building block” gold clusters and other solution components present in higher abundance. In addition to the previously reported clusters, we identified several new species including Au5(PPh3)5+, Au12(PPh3)9HCl2+, Au15(PPh3)9Cl2+, Au16(PPh3)10Cl22+, Au17(PPh3)113+, Au18(PPh3)102+, Au19(PPh3)10Cl2+, Au20(PPh3)12H33+, Au21(PPh3)10Cl2+, and Au22(PPh3)10Cl22+, indicating that a full range of clusters between Au1 - Au22 may be observed in a single polydisperse solution. Considering all of the observed clusters, our findings provide evidence that the “magic number” icosahedral Au13 may be the transition point in cluster growth between smaller clusters, exhibiting a 1:1 gold-to-ligand ratio, and larger clusters, wherein subsequent gold atoms are added to the core without an equal number of accompanying ligands. Our method demonstrates that reducing the range of m/z collection windows and increasing the number of scan averages can improve instrument sensitivity for cationic gold clusters and enable a more complete survey of polydisperse solutions, thereby providing new insights to guide and validate the results of other characterization methods and theoretical calculations. This work was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MH acknowledges support from the DOE Science Undergraduate Laboratory Internship (SULI) program. HH acknowledges support from the DOE Office of Workforce Development for Teachers and Scientist (WDTS) under the Visiting Faculty Program (VFP). This work was performed using EMSL, a national scientific user facility sponsored by the DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle.

Hewitt, Michael↗
DOE OSTI2021

Extremely Slow Trap-Mediated Hole Relaxation in Room-Temperature InP/ZnSe/ZnS Quantum Dots

Time-resolved photoluminescence (PL) and transient absorption (TA) spectroscopy have been used to elucidate the hole relaxation dynamics in high-quality InP/ZnSe/ZnS quantum dots (QDs) at room temperature. In QDs having an In/P ratio close to 1:1, hole cooling is fast compared to the ~40 ps time-correlated photon-counting instrument response. However, in QDs that luminesce at wavelengths greater than around 600 nm and have excess indium, a significant fraction of the PL exhibits a slower rise time. In this case, the PL rises over a range of timescales varying from close to the instrument response to approximately 300–400 ps. The time constant of the slowest component increases with increasing InP core size and the fraction of the PL that has the slow rise time increases with excess indium in the particle. In all cases, a slow rise time and any spectral evolution on that timescale are absent in the TA results, indicating that the slow dynamics may be assigned to relaxation in the valence band. QDs emitting at wavelengths below 560 nm show very different dynamics, exhibiting a barely detectable <50 ps rise time. Based on these results and measured elemental compositions, the slow hole relaxation is assigned to the transient population of indium-based traps in the ZnSe shell that are above the valence band edge only for the larger, red-emitting QDs. Here, the relative trap to band edge relaxation rates can be understood in terms of effective mass approximation hole wave function calculations, which show that the relaxation rate is largely determined by the extent to which the hole wave function in the lowest exciton penetrates into the ZnSe shell, overlapping the trapped-hole wave functions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Reversible Interfacial Charge Transfer and Delayed Emission in InP/ZnSe/ZnS Quantum Dots with Hexadecanethiol

The results in this paper show that holes are rapidly and reversibly transferred from red-emitting InP/ZnSe/ZnS quantum dots (QDs) to adsorbed hexadecanethiol (HDT) forming an equilibrium between the thiols and the QD valence band. Photoexcitation results in populations of holes in the valence band and in slightly higher-energy shell-localized traps. Trap to valence band hole tunneling results in a photoluminescence risetime having time constants varying from 300 ps to 2 ns. The presence of adsorbed HDT eliminates the slower risetime component, indicating that hole transfer from the shell-localized traps that are closest to the particle surface efficiently competes with tunneling to the QD core. This shows that the interfacial charge transfer equilibrium is established in less than 2 ns. The population of the shell-localized traps corresponds to a reservoir of hole states that eventually tunnel to the core-localized valence band, resulting in delayed emission. The amount of delayed emission increases rapidly with ZnSe shell thickness and is slightly blue-shifted from the prompt photoluminescence. We propose an energetic model in which the HDT/valence band equilibrium is affected by the extent of valence band quantum confinement and an electric field produced by core–shell interfacial dipoles. Furthermore, this model explains the core size, shell thickness, and photoluminescence (PL) wavelength dependence of this equilibrium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Theory of Photoluminescence Spectral Line Shapes of Semiconductor Nanocrystals

Single-molecule photoluminescence (PL) spectroscopy of semiconductor nanocrystals (NCs) reveals the nature of exciton–phonon interactions in NCs. Understanding the homogeneous spectral line shapes and their temperature dependence remains an open problem. Here, we develop an atomistic model to describe the PL spectrum of NCs, accounting for excitonic effects, phonon dispersion relations, and exciton–phonon couplings. We validate our model using single-NC measurements on CdSe/CdS NCs from T = 4 to 290 K, and we find that the slightly asymmetric main peak at low temperatures is comprised of a narrow zero-phonon line (ZPL) and acoustic phonon sidebands. Furthermore, we identify the specific phonon modes that give rise to the optical phonon sidebands. At temperatures above 200 K, the spectral line width shows a stronger dependence upon the temperature, which we demonstrate to be correlated with higher order exciton–phonon couplings. We also identify the line width dependence upon reorganization energy, NC core sizes, and shell thicknesses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

From Structure to Function: Zn/Mn-Modified Maghemite as an Advanced Nanoplatform for Magnetic Hyperthermia and Radionuclide Therapy

The development of nanoplatforms capable of efficient heat generation and stable radionuclide delivery is essential for effective bimodal cancer therapy. Here, in this study, binary (Fe–M) and ternary (Fe–M–M′) metal oxide nanoparticles were synthesized via a polyol method optimized to produce flower-like γ-Fe 2 O 3 (maghemite) structures, with M and M′ representing Zn and/or Mn. Comprehensive structural and magnetic characterization was conducted to explain the relationship between composition, defect structure, and hyperthermic performance. The analyses revealed that cation substitution induced an Fe-site vacancy, primarily at octahedral positions, leading to local structural distortions, as confirmed by powder X-ray diffraction and pair distribution function analysis. The optimized composition, with Zn/Mn/Fe = 0.040:0.182:1, exhibited the highest concentration of vacancies and structural disorder. These vacancies altered the bonding environment, enhancing magnetic interactions at tetrahedral sites while weakening those at the octahedral positions. The resulting multicore nanoflowers (20–63 nm; core size 13–18 nm) displayed strong heating performance, with intrinsic loss power ranging from 0.34 to 5.77 nHm 2 kg –1 . The optimized sample achieved a temperature increase of 30 °C within 2 min and a specific absorption rate of 369 W g –1 . This composition was further coated with citrate (CA) and successfully radiolabeled with 177 Lu, achieving a radiolabeling yield of 92.7% and excellent stability, thus forming a robust nanoplatform for combined magnetic hyperthermia and radionuclide therapy. Biological evaluation of the optimized S5 composition revealed selective cytotoxicity toward HeLa and LS174 cells, while toxicity was significantly lower to A549, A375, and normal MRC-5 cells. Citrate coating of S5 nanoparticles (S5@CA) drastically reduced their cytotoxicity across all tested cell lines (IC 50 > 200 μg mL –1 ), confirming their enhanced biocompatibility for therapeutic applications. In HeLa cells subjected to magnetic hyperthermia, the viability decreased to approximately 84% after 30 min and 61% after 60 min of treatment, demonstrating the sustained hyperthermic effect at a controlled working temperature of 48 °C. These results underscore the effectiveness of cation substitution and vacancy engineering in tailoring the functional properties of maghemite-based nanomaterials for advanced multimodal cancer therapies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Convective Updraft and Downdraft Characteristics of Continental Mesoscale Convective Systems in the Model Gray Zone

Here, the "gray zone" of convective modeling is defined as the range of horizontal grid spacings (Δx) at which turbulent transport processes are only partially resolved by the dynamics of the numerical model. This zone typically covers Δx from a few kilometers to several hundred meters, wherein the realistic representation of convective cloud processes can be challenging. This study characterizes the convective draft behaviors at multiple Δx across the gray zone and determines the appropriate Δx that can reliably capture these salient convective properties. We perform an ensemble of idealized simulations of mesoscale convective systems (MCS) using the Weather Research and Forecasting model at various Δx from 4 km to 250 m over the central U.S. An evaluation of key MCS kinematic properties is constrained using unique, long-term vertical velocity estimates obtained by radar wind profilers deployed by the Department of Energy Atmospheric Radiation Measurement user facility. MCS simulations for all Δx tested overestimate (underestimate) the probabilities of convective updrafts (downdrafts) compared to the observations. In terms of the convective draft intensity, finer-Δx models overestimate the updraft intensity, while the opposite is found for downdrafts. Moving from Δx = 4 km to 250 m, downdrafts become stronger and more frequent especially at middle and upper levels, attributed to additional drag from an increasing graupel frequency and compensation of enhanced updraft velocity. Simulated draft characteristics, including core size, intensity, and probability of occurrence, exhibit pronounced changes at Δx greater than 500 m, but suggest less sensitivity when Δx is reduced below 500 m.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Low-threshold laser medium utilizing semiconductor nanoshell quantum dots

Colloidal semiconductor nanocrystals (NCs) represent a promising class of nanomaterials for lasing applications. Currently, one of the key challenges facing the development of high-performance NC optical gain media lies in enhancing the lifetime of biexciton populations. This usually requires the employment of charge-delocalizing particle architectures, such as core/shell NCs, nanorods, and nanoplatelets. Here, we report on a two-dimensional nanoshell quantum dot (QD) morphology that enables a strong delocalization of photoinduced charges, leading to enhanced biexciton lifetimes and low lasing thresholds. A unique combination of a large exciton volume and a smoothed potential gradient across interfaces of the reported CdS bulk /CdSe/CdS shell (core/shell/shell) nanoshell QDs results in strong suppression of Auger processes, which was manifested in this work though the observation of stable amplified stimulated emission (ASE) at low pump fluences. An extensive charge delocalization in nanoshell QDs was confirmed by transient absorption measurements, showing that the presence of a bulk-size core in CdS bulk /CdSe/CdS shell QDs reduces exciton–exciton interactions. Altogether, present findings demonstrate unique advantages of the nanoshell QD architecture as a promising optical gain medium in solid-state lighting and lasing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Biexciton and trion dynamics in InP/ZnSe/ZnS quantum dots

Transient absorption (TA) and time-resolved photoluminescence (PL) spectroscopies have been used to elucidate the hole tunneling and Auger dynamics in biexcitons and negative trions in high-quality InP/ZnSe/ZnS quantum dots (QDs). In a previous paper [Nguyen et al., J. Phys. Chem. C 125, 15405–15414 (2021)], we showed that under high-intensity photoexcitation, two types of biexcitons are formed: those having two conduction band electrons and two valence band holes (designated as an XX state) and those having two conduction band electrons, one valence band hole, and an additional trapped hole (designated as an XT state). In the present paper, we show that both types of biexcitons can undergo Auger processes, with those of the XT state being a factor of four to five slower than those of the XX state. In addition, the trapped holes can undergo tunneling into the valence band, converting an XT state to an XX state. The relative amplitudes of the fast (XX) and slow (XT) components are different in the TA and PL kinetics, and these differences can be quantitatively understood in terms of oscillator strengths and electron–hole overlap integrals of each state. XT to XX hole tunneling rates are obtained from the comparison of the XT state lifetimes with those of the negative trions. This comparison shows that the tunneling times decrease with decreasing core size and shell thickness. Furthermore, these times are about 2 ns for the thinnest shell red-emitting QDs and decrease to 330 ps for QDs that luminesce in the yellow.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Effects of drive pulse shape on graded metal pushered single shell capsule implosions on the National Ignition Facility

Graded metal pushered single shells (PSS) are a viable alternative to low-Z capsules (Z is the atomic number) for indirect drive inertial confinement fusion implosions due to enhanced core tamping and radiation trapping, but they can be compromised by the pusher mixing with the fuel. We compare 2-shock and 3-shock laser pulses for Be/Cr PSS capsules filled with deuterium–tritium gas fuel at 6 mg/cc density. 1D radiation-hydrodynamic simulations predict higher core compression and, hence, ∼2× higher fusion yield for the 3-shock drive than for 2-shock. Nevertheless, we observe similar core ion temperatures and fusion yields for both drives. The implosion burn duration is 25% shorter and the core volume is ∼2.5× smaller for the 3-shock drive than for 2-shock, consistent with a higher compression. 1D LASNEX mix simulations using a buoyancy-drag model matching the measured yields also agree with the observed core sizes and burn durations and suggest ∼40% and ∼70% yield degradations for 2-shock and 3-shock drives due to hydrodynamic instabilities and atomic mix at the pusher–fuel interface. At the same time, 2D HYDRA simulations show that mid-mode (2–250) instability degradations are negligible for the 2-shock implosion (9%) and significant (45%) for 3-shock. Subtracting these from the 1D mix simulations, we infer similar degradations from high-mode instabilities and atomic mix for both drives. Due to its robustness to mid-mode instabilities, future pusher–gas mix studies will use the 2-shock drive.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

The impact of baryonic potentials on the gravothermal evolution of self-interacting dark matter haloes

The presence of a central baryonic potential can have a significant impact on the gravothermal evolution of self-interacting dark matter (SIDM) haloes. We extend a semi-analytical fluid model to incorporate the influence of a static baryonic potential and calibrate it using controlled N-body simulations. We construct benchmark scenarios with varying baryon concentrations and different SIDM models, including constant and velocity-dependent self-interacting cross-sections. The presence of the baryonic potential induces changes in SIDM halo properties, including central density, core size, and velocity dispersion, and it accelerates the halo’s evolution in both expansion and collapse phases. Furthermore, we observe a quasi-universality in the gravothermal evolution of SIDM haloes with the baryonic potential, resembling a previously known feature in the absence of the baryons. By appropriately rescaling the physical quantities that characterize the SIDM haloes, the evolution of all our benchmark cases exhibits remarkable similarity. In conclusion, our findings offer a framework for testing SIDM predictions using observations of galactic systems where baryons play a significant dynamical role.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Moving vortices in anisotropic superconductors

The magnetic field of moving vortices in anisotropic superconductors is considered in the framework of the time-dependent London approach. It is found that, at distances large relative to the core size, the field may change sign that alludes to a nontrivial intervortex interaction which depends on the crystal anisotropy and on the speed and direction of motion. These effects are caused by the electric fields and corresponding normal currents which appear due to the moving vortex magnetic structure. We find that the motion related part of the magnetic field attenuates at large distances as 1/r 3 unlike the exponential decay of the static vortex field. The electric field induced by the vortex motion decreases as 1/r 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Pearl vortices in anisotropic superconducting films

The magnetic field of vortices in anisotropic superconducting films is considered in the framework of anisotropic London approach. It is found that at distances large relative to the core size, the magnetic field normal to the film surface may change sign. Here, we find that the magnetic field attenuates at large distances as 1/r 3 as it does in isotropic films, but the anisotropy induces an angular dependence to the supercurrents which causes the sign of the field to change for anisotropy parameters γ = λ 2 /λ 1 > $\sqrt{2}$ in some parts of the (x, y) plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Dynamically generated momentum space shell structure of quarkyonic matter via an excluded volume model

The phase-space structure of zero-temperature quarkyonic matter is a Fermi sphere of quark matter surrounded by a shell of nucleonic matter. Here, we construct a quasiparticle model of quarkyonic matter based on the constituent quark model, where the quark and nucleon masses are related by $m_Q = m_N/N_c$, and $N_c$ is the number of quark colors. The region of occupied states is for quarks $k_Q < k_F/N_c$ and for nucleons $k_F < k_N < k_F + Δ$. We first consider the general problem of quarkyonic matter with hard-core nucleon interactions. We then specialize to a quasiparticle model where the hard-core nucleon interactions are accounted for by an excluded volume. In this model, we show that the nucleonic shell forms past some critical density related to the hard-core size and for large densities becomes a thin shell. We explore the basic features of such a model and argue this model has the semiquantitative behavior needed to describe neutron stars.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nonlocal effects from boosted dark matter in indirect detection

Here, indirect dark matter (DM) detection typically involves the observation of standard model (SM) particles emerging from DM annihilation/decay inside regions of high dark matter concentration. We consider an annihilation scenario in which this reaction has to be initiated by one of the DMs involved being boosted while the other is an ambient nonrelativistic particle. This “trigger” DM must be created, for example, in a previous annihilation or decay of a heavier component of DM. Remarkably, boosted DM annihilating into gamma rays at a specific point in a galaxy could actually have traveled from its source at another point in the same galaxy or even from another galaxy. Such a “nonlocal” behavior leads to a nontrivial dependence of the resulting photon signal on the galactic halo parameters, such as DM density and core size, encoded in the so-called “astrophysical” J-factor. These nonlocal J-factors are strikingly different than the usual scenario. A distinctive aspect of this model is that the signal from dwarf galaxies relative to the Milky Way tends to be suppressed from the typical value to various degrees depending on their characteristics. This feature can thus potentially alleviate the mild tension between the DM annihilation explanation of the observed excess of approximately GeV photons from the Milky Way’s Galactic Center vs the apparent nonobservation of the corresponding signal from dwarf galaxies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

CEFR simulation using diffusion code system RAST-F

In this study, the RAST-F code system, which is based on the two-step approach that couples a multi-group cross-section generation Monte-Carlo (MC) code and a multi-group nodal diffusion solver, was used for the neutronic simulation of the CEFR start-up experiments. The numerical solution of the RAST-F system was verified against the full core MC solution MCS at all control rods fully inserted and withdrawn states. The RAST-F solution of the selected experimental simulations was compared against the measurement data. A good agreement between RAST-F and MCS solutions was observed with less than 120 pcm discrepancies and 1.2% root-mean-square error in terms of k{sub eff} and power distribution, respectively. Meanwhile, the RAST-F result agreed well with the experimental data within two-sigma of experimental uncertainty. The good agreement of these results indicates that RAST-F can be used to neutronic steady-state simulations for small core-size SFR, which was challenged to deterministic code systems. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Application of Proliferation Resistance Optimization (PRO-X) Methodology to a Generic Research Reactor

The Proliferation Resistance Optimization Program (PRO-X) has been established by the NNSA to provide a framework for evaluating and integrating proliferation resistance into nuclear reactor system (core, fuel, and auxiliary facilities) designs that also maintain the safety and peaceful use missions of those systems. The research reactor (PRO-RR) area is the component of PRO-X that supports the program objectives by applying state-of-the-art analysis methods to research reactor systems. This report details the results of using a defined set of analytical tools to evaluate the neutronics, thermal hydraulics and proliferation risk characteristics of a set of parametric cores based on a generic 10 MW materials test reactor that uses a plate-type low enriched uranium (LEU) fuel. The analysis shows that by suitable adjustment of the core size, reflector configuration and power level, mission performance and safety margins can be maintained or improved while reducing the potential for production of special nuclear material.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗