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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
DOE OSTI2020

Effect of Confinement of SIA Cluster Diffusion by Impurities on Radiation Defect Accumulation due to 14MeV neutrons in Tungsten

Impurities acting as traps, reduce the self-interstitial atom (SIA) cluster mobility, thereby increasing recombination and in turn enhancing radiation-resistance of polycrystalline materials. However, at elevated temperatures, depending on SIA-trap (impurity) binding energy, SIA clusters may trap and detrap (detach) numerous times. In tungsten, SIA clusters of all sizes glide one-dimensionally (1D) along their Burgers vector direction. Hence, detrapped SIAs would retrace their path, confining their 1D-glide between traps. However, small SIA clusters can change the direction of their 1D-glide by overcoming a rotation barrier. In addition, impurities or solutes are known to reduce this barrier. A lower rotation barrier can result in detrapped SIA clusters that diffuse in a random 1D direction, effectively leading to 3D (net-3D) diffusion. Here we investigate the effect of two cases of SIA diffusion, namely confined-1D diffusion and net-3D diffusion, on the damage accumulation in polycrystalline tungsten under 14 MeV neutron irradiation using the object kinetic Monte Carlo method. Simulations were performed using cascade debris obtained from molecular dynamics simulations with primary knock-on atom (PKA) energies corresponding to 14 MeV neutrons. In the simulations with net-3D diffusion, SIA clusters of all sizes diffuse in a random 1D direction after the clusters detrap. While for the confined 1D diffusion case, SIA clusters larger than size 5 retain their original direction of 1D-glide. In both types of simulations, trapped vacancies are assumed to be permanently immobilized. Unexpectedly, the damage accumulation was lower with confined 1D diffusion than that with net-3D. We present a systematic comparison of the influence of the two cases of SIA diffusion on the radiation damage accumulation as a function of dose rate, detrapping barrier, and impurity concentration at 1025 K.

Accumulation and recovery of lattice damage, tungs↗
DOE OSTI2022

Traps and transport resistance are the next frontiers for stable non-fullerene acceptor solar cells

Stability is one of the most important challenges facing material research for organic solar cells (OSC) on their path to further commercialization. In the high-performance material system PM6:Y6 studied here, we investigate degradation mechanisms of inverted photovoltaic devices. We have identified two distinct degradation pathways: one requires the presence of both illumination and oxygen and features a short-circuit current reduction, the other one is induced thermally and marked by severe losses of open-circuit voltage and fill factor. We focus our investigation on the thermally accelerated degradation. Our findings show that bulk material properties and interfaces remain remarkably stable, however, aging-induced defect state formation in the active layer remains the primary cause of thermal degradation. The increased trap density leads to higher non-radiative recombination, which limits the open-circuit voltage and lowers the charge carrier mobility in the photoactive layer. Furthermore, we find the trap-induced transport resistance to be the major reason for the drop in fill factor. Our results suggest that device lifetimes could be significantly increased by marginally suppressing trap formation, leading to a bright future for OSC.

14 SOLAR ENERGY↗
DOE OSTI2025

Surface Trap Dynamics and Gamma‐Ray Detection Enhancement in Passivated FAPbBr 3 Perovskite Crystals

Perovskite‐based direct radiation detectors offer a compelling platform for room‐temperature gamma spectroscopy due to their high sensitivity, tunable optoelectronic properties, and compatibility with solution processing. While prior studies on formamidinium lead tribromide (FAPbBr 3 ) have shown that surface passivation mitigates deep trap state impact on the charge collection efficiency (CCE), the influence of surface‐based shallow traps on time‐resolved detector response remains largely unexplored. In this article, a digital signal processing (DSP) method is applied to analyze waveform rising edge dynamics in FAPbBr 3 single‐crystal detectors, identifying prompt and delayed charge collection components. Using the second derivative of the collected charge signal, the onset of shallow trap reemission is isolated, occurring 1.1 µs after carrier generation. Surface passivation suppressed deep trap states, shifting carrier occupancy toward shallower traps and extending the temporal window of delayed charge collection. This delayed contribution correlates with measurable changes in the temporal and amplitude distributions of detector events. By leveraging time‐domain filtering informed by these dynamics, a selective enhancement in signal quality and gamma peak‐to‐Compton ratio (PCR) is achieved, while preserving over 90% of photoelectric events. An improvement in the PCR to 1.80, from the original 1.09, is enabled by focusing on high collection efficiency events corresponding to reemitted carriers in the 1.1 to 3 µs range after the generation event. These results demonstrate a pathway for leveraging shallow trap dynamics to enhance spectral fidelity in time‐resolved perovskite detectors.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Suppression of bremsstrahlung losses from relativistic plasma with energy cutoff

We study the effects of redistributing superthermal electrons on Bremsstrahlung radiation from hot relativistic plasma. We consider thermal and nonthermal distribution of electrons with an energy cutoff in the phase space and explore the impact of the energy cutoff on Bremsstrahlung losses. We discover that the redistribution of the superthermal electrons into lower energies reduces radiative losses, which is in contrast to nonrelativistic plasma. Lastly, we discuss the possible relevance of our results for open magnetic field line configurations and prospects of the aneutronic fusion based on proton-Boron11 (p-B11) fuel.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Precise Q value determinations for forbidden and low energy $\beta $-decays using Penning trap mass spectrometry

Nuclear β-decay provides a laboratory for investigating weak decays occurring inside the nuclear medium. This provides information on the resulting subtle nuclear and atomic effects, and on the underlying interaction and the properties of the particles that are involved, particularly of the neutrino. The Q value of the decay corresponds to the energy equivalent of the mass difference between parent and daughter atoms, and can be precisely and accurately measured using Penning trap mass spectrometry. In this paper we discuss Penning trap Q value measurements for forbidden β-decays of long-lived primordial nuclides, and for a subset of β-unstable nuclides that could potentially undergo a very low energy decay to an excited state in the daughter nucleus. Here we discuss applications of these measurements to tests of systematics in detectors that perform precise β-spectrum measurements, as inputs for theoretical shape factor, electron branching ratio and half-life calculations, and to identify nuclides that could serve as new candidates in direct neutrino mass determination experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Role of deep levels and barrier height lowering in current-flow mechanism in 150 μ m thick epitaxial n-type 4H–SiC Schottky barrier radiation detectors

Schottky barrier detectors (SBDs) require larger surface areas than conventional electronics to increase the detection efficiency although such SBDs manifest large diode ideality factors due to inhomogeneous areal distribution of surface barrier height (SBH). Inhomogeneous SBH distributions lead to various current flow mechanisms in SBDs, which need to be identified to optimize detector performance. In this Letter, we identify the current flow mechanism in large area Schottky barrier diodes for radiation detection fabricated on 150 μm thick n-4H–SiC epitaxial layers. The analysis of temperature-dependent forward current–voltage (I–V–T) characteristics of SBDs revealed two linear regions in current–voltage curves up to 450 K, one corresponding to the current flow through a low barrier patch, while the other corresponds to that of average barrier distribution. Applying a SBH distribution model to the reverse I–V–T characteristics, an activation energy of 0.76 eV for the current flow over the Schottky barrier was calculated. Additionally, the activation energy did not directly correspond to any of the defect levels observed from the deep level transient spectroscopy (DLTS). Above 450 K, a Schottky type barrier lowering suggested a current flow through a low barrier patch of ≈ 0.8 eV. The absence of any SBH lowering below 450 K indicated that the current corresponded to a neutrally charged trap level at ≈ 0.6 eV below the conduction band edge, which was consistent with DLTS measurements revealing the presence of an electron trap level Z1/2 at 0.59 eV below the conduction band edge.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Spin-trap isomers in deformed, odd-odd nuclei in the light rare-earth region near $N=98$

Masses of neutron-rich, odd-odd Pm, Eu, and Tb nuclei near N = 98 were measured using the Canadian Penning Trap mass spectrometer at the Californium Rare Isotope Breeder Upgrade (CARIBU) facility. High-resolution mass measurements yielded the discovery of spin-trap isomers at N = 97 in Tb 162 , and in the N = 99 isotones of Pm 160 and Tb 164 . Furthermore, no evidence of long-lived isomers were observed at N = 95 in Eu 158 , at N = 97 in Pm 158 , nor at N = 101 in Eu 164 and Tb 166 . Here, these experimental observations are compared to results from multiquasiparticle blocking calculations.

150 ≤ A ≤ 189↗
DOE OSTI2023

Improved high-precision mass measurements of mid-shell neon isotopes

New mass values measured with the TITAN MR-TOF-MS are reported for the short-lived isotopes 24-26 Ne, produced at TRIUMF's ISAC facility using a uranium carbide target and cold FEBIAD ion source. A least-squares adjustment within the framework of the Atomic Mass Evaluation was performed and the improved precision of the new mass values is highlighted. The improved mass accuracy in this N = 14mid-shell region can also point to the refinement in values of the charge radii. By reducing the mass uncertainty of isotopes, their contribution of the mass shift uncertainty in laser spectroscopy can be negated. The work is part of developments for reaching the N = 20 Island of Inversion, where high molecular contamination hinders mass measurements of the neon isotopes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Dynamic Behavior of Bound Interlayer Excitons in Interlayer-Doped Cs 3 Bi 2 Br 9 Vacancy-Ordered Perovskite

Interlayer doping of the vacancy-ordered 2D perovskite Cs 3 Bi 2 Br 9 (CBB) enables the formation of bound interlayer excitons (BIEs), a unique charge-transfer excited state within the layered solid. BIEs previously reported with silver (Ag + ) as an interlayer dopant exhibited bright broadband photoluminescence (PL) with prolonged lifetime at room temperature, offering potential applications in efficient white light emission, photocatalysis, and optoelectronics. However, the dynamic behavior of radiation and excited carriers remains poorly understood due to the limitations of ensemble spectroscopic measurements. Here, we investigate the temperature-dependent dynamics of Ag-doped Cs 3 Bi 2 Br 9 (Ag-CBB) using single-particle time-resolved PL spectroscopy and ultrafast transient absorption imaging. Single-particle PL measurements reveal three distinct emission regimes across temperature: (i) BIE-dominant emission at high temperatures, (ii) a mixture of radiation from BIEs and self-trapped excitons (STEs) at intermediate temperatures, and (iii) STE-dominant emission below 100 K. Rapid transient absorption mapping using Parallel Rapid Imaging with Spectroscopic Mapping (PRISM) reveals subpicosecond STE formation in pristine CBB and long-lived photoinduced absorption by BIEs, consistent with electron–hole separation and suppressed STE transfer. The spatial uniformity of these signals confirms homogeneous Ag doping across single crystals. These findings highlight the role of Ag interlayer dopants in governing the BIE dynamics.

bound interlayer exciton↗
DOE OSTI2022

High-precision mass measurement of Si 24 and a refined determination of the r p process at the A = 22 waiting point

We report a high-precision mass measurement of 24 Si, performed with the Low Energy Beam and Ion Trap (LEBIT) facility at the National Superconducting Cyclotron Laboratory. The atomic mass excess, 10 753.8 (37) keV, is a factor of 5 more precise than previous results. This substantially reduces the uncertainty of the 23 Al(p ,γ) 24 Si reaction rate, which is a key part of the rapid proton capture (rp) process powering type I x-ray bursts. Furthermore, the updated rate constrains the onset temperature of the (α,p) process at the 22 Mg waiting point to a precision of 9%.

20 ≤ A ≤ 38↗
DOE OSTI2022

Enhancement of radiation detection performance with reduction of EH 6/7 deep levels in n-type 4H–SiC through thermal oxidation

We report the effect of EH 6/7 electron trap centers alone on the performance of high-resolution radiation detectors fabricated on n-type 4H–SiC epitaxial layers. A Schottky barrier detector (SBD) and a metal-oxide-semiconductor (MOS) capacitor detector fabricated using two sister samples derived from the same 50 μm 4H–SiC parent wafer exhibited widely different energy resolutions of 0.4% and 0.9% for 5486 keV alpha particles. An equivalent noise charge model analysis ruled out the effect of the detector capacitance and the leakage current on the resolution of the detectors. Deep level transient spectroscopic studies revealed the presence of two trapping centers in each detector within the temperature scan range 240–800 K. The Z 1/2 center, a potential electron trap, was detected in both the detectors in equal concentration, which suggested that the observed difference in the energy resolution is due to the presence of the other defect, the EH 6/7 center, in the SBD. The capture cross section of the EH 6/7 center was calculated to be three orders of magnitude higher than the second defect [a carbon antisite vacancy (CAV) center] observed in the MOS detector with an activation energy of 1.10 eV, which accounted for the enhanced electronic trapping in the SBD leading to its poor energy resolution. It has been proposed that the EH 6/7 centers in the SBD have likely been reconfigured to CAV pairs during the thermal growth of the silicon dioxide layer in the MOS detector. The proposed formation mechanism of CAV, a stable qubit state for quantum information processing, addresses the outstanding questions related to the role of defect dynamics in their formation.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

Demonstration of low-mode shape control in indirect-drive double shell implosions at the NIF

Double shell inertial confinement fusion is a concept for achieving robust thermonuclear burn that uses dense metal shells to compress deuterium-tritium (DT) fuel to fusion conditions. Double shell implosions are typically indirectly driven and involve a target that consists of a low-Z ablator, a foam layer, and a high-Z pusher surrounding the DT fuel. The goal of the campaign is to achieve a volumetric burn as radiation losses from the DT fuel are trapped by the opaque high-Z shell. The overall performance of double shell implosions relies on the efficient collisional transfer of kinetic energy between layers. The efficiency of this transfer (and therefore the overall performance of a given implosion) is degraded by the presence of low-mode asymmetries. P2 asymmetries are often observed in spatially resolved 2D radiographs of nominal double shell implosions. This work discusses three such experiments: one with an oblate P2 asymmetry, one with a prolate P2 asymmetry, and one with an approximate spherical symmetry. After performing a shape analysis of the oblate and prolate implosions to quantify asymmetries, these experimental results were compared with the results of hydrodynamic simulations for the two experiments. Differences between the experiment and simulation were then used to design an approximately spherical implosion by altering the incident laser cone fraction. Radiographs from the experiment that implemented the modified cone fraction show evidence of an implosion that is approximately spherical until bang time. This design is intended to serve as a point design for future studies that will seek to optimize various aspects of the double shell target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Radiation reaction of classical hyperbolic oscillator: Experimental signatures

When accelerated by a constant force in the lab frame, a classical charge experiences no self force. In this case, the particle radiates without dissipating its kinetic and potential energy. But what happens when the particle enters another region with equal and opposite acceleration? Does the oscillating charge lose its mechanical energy similar to a radiating dipole, even though it seems to lose no mechanical energy within each region of constant acceleration? In this paper, I will show how mechanical energy is transferred to radiation energy via the Schott energy when the particle crosses the boundary between the two regions. In particular, I will show how preacceleration, which is usually regarded as an unphysical effect of the Lorentz–Abraham–Dirac self force, is essential for the energy transfer. Moreover, I will show that the commonly adopted Landau–Lifshitz approximation, which removes preacceleration, introduces second-order secular energy error. On a more fundamental level, the validity of classical electrodynamics is in fact questionable because quantum effects are likely important. The classical prediction can be tested experimentally by observing frequency chirping of radiation, whereby micro physics leaves signatures on macroscopic scales. The required experimental accuracy is estimated. Trap experiments of this type is complementary to collider experiments that endeavor to observe radiation reaction for elementary particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Carrier Dynamics of Strongly Confined CsPbI 3 Nanowires

Here, we investigate the carrier dynamics of strongly confined cesium lead iodide (CsPbI 3 ) nanowires and compare them with weakly confined quantum dots (QDs) to understand how dimensionality affects recombination processes. Using time-resolved photoluminescence and ultrafast transient absorption spectroscopy, we find that nanowires exhibit a 5× faster recombination rate and more rapid carrier cooling than QDs. These differences are attributed to enhanced carrier interactions with trap states. Although nanowires exhibit slightly enhanced radiative rates as a result of confinement, their photoluminescence quantum yield remains relatively low, 23 ± 8%, due to competition from nonradiative recombination processes that occur at a faster rate. These findings highlight a dimensionality-dependent trade-off between radiative efficiency and nonradiative losses, providing insight into the limitations and opportunities for low-dimensional perovskite nanostructures. Our results establish design principles for tailoring CsPbI 3 nanocrystal dimensionality to optimize optical performance in optoelectronic applications such as LEDs and solar cells.

Oddo, Alexander M. [University of California, Berk↗
DOE OSTI2019

Electronic shell structures, self-trapped excitons, and defect-bound excitons in Li 2 B 12 H 12

First-principles studies of electronic structures, excitons, and defects in Li 2 B 12 H 12 reveal unique photophysical properties of Li 2 B 12 H 12 and its potential as a neutron scintillator material. We identify the electronic shell structure in (B 12 H 12 ) 2- , which gives rise to strong chemical stability of (B 12 H 12 ) 2- and a large band gap of Li 2 B 12 H 12 . Based on hybrid functional calculations, we show that excitons in Li 2 B 12 H 12 are strongly self-trapped and predict that the exciton excitation and emission are both in the UV range and are not related to the bright blue emission observed in the experiment. The experimentally observed blue emission in Li 2 B 12 H 12 is likely due to the emission of excitons bound to hydrogen vacancies. The calculated strong localization and large exciton trapping energy at hydrogen vacancies indicate enhanced radiative recombination, while the calculated large Stokes shift suggests that the self-absorption and the resonance transfer of the excitation energy may be suppressed. These properties should promote efficient defect emission at room temperature. The efficient defect emission, combined with the large thermal neutron capture cross-section by Li and B and the efficient energy transfer between fast neutrons and H, suggests potential applications of Li 2 B 12 H 12 as a thermal or fast neutron scintillator. Optical characterization of VH may also be used to monitor H and Li concentrations in Li 2 B 12 H 12 -based hydrogen storage materials and solid-state electrolytes in Li batteries.

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

Defects of perovskite semiconductor CsPbBr3 investigated via photoluminescence and thermally stimulated current spectroscopies

Halide perovskites are essential materials for hard radiation detectors at ambient temperature. To improve detector performance, charge transport must be investigated and optimized. Using photoluminescence (PL) and thermally stimulated current (TSC) spectroscopies, we investigate photogenerated charge carriers in Bridgman-grown CsPbBr3 single crystals to understand the nature of charge transport. PL spectroscopy of these halide perovskites revealed the presence of strong emission bands at the band edge, which were attributed to free or bound excitons. It is shown that a wide broadening of the excitonic linewidth in these halide perovskites arises from strong exciton–phonon coupling, which is substantially dominated by longitudinal optical phonons via Fröhlich interaction. An additional contribution due to the presence of ionized impurities was also observed. Crystals with a detectable sensitivity to high-energy gamma radiation are characterized by a higher intensity and a narrower linewidth of the principal PL peak at 2.326 eV. Defect states beyond 2.214 eV have a negative impact on detector sensitivity to high-energy gamma radiation. TSC spectroscopy reveals an array of trap levels spanning 0.15–0.70 eV, attributed to intrinsic point defects and multiple extrinsic defects involving dopants or impurities. Defects identified included Cs and Br vacancies, as well as Pb interstitials with concentrations in the 1011–1016 cm−3 range. Understanding how the synthesis process impacts the types and concentrations of the defects present is currently under investigation. Elimination or suppression of the defect/trap states should result in halide perovskite materials with longer carrier diffusion lengths and improved detector characteristics.

Physics↗
DOE OSTI2026

Breakdown front dynamics of streamer-like discharge in electron-charged polymethyl methacrylate

We present the results of an experimental study of fast breakdown in electron-charged polymethyl methacrylate. We irradiate bulk polymethyl methacrylate disks with diameters up to one meter at different implanted charge densities and measure the discharge current during the forced electrical breakdown of the material. We infer the breakdown dynamics from these current waveforms, including the velocity and time dependence of the electric field driving the breakdown, and compare these results with the physical electrical tree patterns left behind in the material. We find that the dynamics and physical characteristics of the breakdown channels in electron-irradiated solids depart from typical expectations of electrical treeing behavior in solid materials. Thus, we interpret these results as an expression of streamer discharges in dense gases motivated by the existence of trapped gases in the solid due to radiation damage. We show that the dynamics of the breakdown channels in the electron-charged solid dielectric material is well described by applying standard streamer physics to this physical system. The results show that the dynamics of breakdown channels in solid dielectric material is a promising avenue to further understand streamer discharges in different media under extreme conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dynamics of magnetic evaporative beamline cooling for the preparation of cold atomic beams

The most sensitive direct neutrino mass searches today are based on measurement of the end point of the 𝛽 spectrum of tritium to infer limits on the mass of the unobserved neutrino. To avoid the smearing associated with the distribution of molecular final states in the T-He molecule, the next generation of these experiments will need to employ atomic (T) rather than molecular (T 2 ) tritium sources, at currents of at least 10 15 atoms per second. Following production, atomic T can be trapped in gravitational and/or magnetic bottles for 𝛽 spectrum experiments, if and only if it can first be cooled to millikelvin temperatures. Accomplishing this cooling presents substantial technological challenges. The Project 8 collaboration is developing a technique based on magnetic evaporative cooling along a beamline (MECB) for the purpose of cooling T to feed a magnetogravitational trap that also serves as a cyclotron radiation emission spectroscope. Initial tests of the approach are planned in a pathfinder apparatus using atomic Li. Here, this paper presents a method for analyzing the dynamics of the MECB technique and applies these calculations to the design of systems for cooling and slowing of atomic Li and T. A scheme is outlined that could provide a current of T at the millikelvin temperatures required for the Project 8 neutrino mass search.

atom optics↗