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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Optimization of overhang printing in ceramic binder jetting additive manufacturing

Cylindrical-shaped horizontally-hanging overhangs with different heights on a solid cubic body were printed via binder jetting additive manufacturing with sililcon carbide powder feedstock. Cracking on the overhang neck and sagging on the overhang body were observed both pre- and post-curing, especially on printed design with a smaller particle size of 10 μm. Here, it was found that the width of cracking and depth of sagging were dependent on the height relative to the solid body in the powder bed, and elevated position of overhang with large volume of underneath loose powder led to increased extend of cracking and sagging. Overhang diameter and weight were varied, which were found with no apparent effects on its deformation extend. To mitigate cracking and sagging, contactless support was designed and tested, which could significantly improve the overhang stability and avoid any overhang deformations. Support gap and support distance were studied for their effects on support capability. The printing processes with and without contactless support were simulated by a finite element modeling approach to understand the stress distribution and evolution of the overhang structures, which revealed stress concentrations on the upper neck point of the designed overhang.

Binder jetting↗
DOE OSTI2025

Quantification of solution annealing effects on microstructure and property in a laser powder bed fusion 316H stainless steel

Solution annealing (SA) is an effective way to mitigate microstructural heterogeneity and to optimize mechanical performance of alloys manufactured by laser powder bed fusion (LPBF). In this study, a comprehensive and quantitative understanding of the recovery and recrystallization processes in the SA temperature range of LPBF 316H stainless steel is provided using results from analytical electron microscopy and in-situ high-energy synchrotron x-ray scattering. The profound effect of dislocation structures and secondary phase particles on mechanical performance, particularly under tension and creep conditions, is rationalized using deformation models that incorporate microstructural inputs. This study, for the first time, quantifies the broad effect of nano oxide inclusions on dislocation recovery kinetics, on grain growth and recrystallization kinetics, and on tension strength and creep resistance. The fundamental differences between the LPBF and the conventional wrought materials are revealed. The findings address critical questions in post-build processing of AM materials and pave the way for their rapid qualification for high temperature applications.

In-situ X-ray diffraction↗
DOE OSTI2022

Chemical Challenges that the Peroxide Dianion Presents to Rechargeable Lithium–Air Batteries

Understanding the fundamental redox reactions and processes that occur in lithium–air and, more generally, metal–air batteries is important to the progress of this promising energy-storage technology. Knowledge of the chemistry of the peroxide dianion, O 2 2– , is especially crucial, as the dianion is at the nexus of the charge/discharge cycle of lithium–air batteries. The intrinsic electron transfer properties and redox chemistry of peroxide dianion are poorly defined because it is difficult to isolate the dianion free of protons and metal ions. We review the results of (i) the electron transfer kinetics and (ii) the redox reaction chemistry of isolated peroxide dianion encapsulated within the cavity of a hexacarboxamide cryptand. With regard to the former, electron transfer kinetics measurements provide fundamental Marcus parameters that will be useful for models that seek to disentangle the precise contributions of Li + ion-coupled electron transfer, electron transfer across the Li 2 O 2 solid particle interface, and charge hopping among Li 2 O 2 particles. With regard to the latter, an underappreciated chemistry of peroxide dianion with CO 2 produces peroxymonocarbonate (OOCO 2 2– ) and peroxydicarbonate (O 2 COOCO 2 2– ). An autocatalytic cycle will lead to oxidative degradation of traditional organic electrolytes and other vulnerable cell components employed in lithium–air batteries. Furthermore, this peroxycarbonate-derived chemistry, in addition to more commonly recognized solution-based oxidation chemistry, will need to be mitigated to realize the long-term cyclability of rechargeable lithium–air batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

Spatially Resolved Raman Spectroscopic Investigation of Uranyl Fluoride: A Case Study in the Importance of Instrument Optimization

Raman spectroscopy is an emerging technique for rapid and nondestructive analysis of nuclear materials for forensic and nonproliferation applications as it is a powerful tool for distinguishing multiple chemical forms of materials with similar stoichiometries. Recent developments in spectroscopic software have enabled rapid data collection with high-speed Raman spectroscopic mapping capabilities. However, some uranium-rich materials are susceptible to degradation in humid air and/or laser-induced phase transformations. To mitigate environmental or measurement-related sample degradation of potential samples of interest, we have taken a systematic approach to define optimized data collection parameters for high-throughput measurements of uranyl fluoride (UO 2 F 2 ), which is an important intermediate material in the nuclear fuel cycle. First, we systematically describe the influence of optical magnification (5× to 100×), laser power, and exposure time on obtained signal for identical particles of UO 2 F 2 and find that at low laser power and exposure times, comparable signal is obtained regardless of optical magnification. Second, we ensure sample integrity during data collection, and third, collect spectroscopic maps that employ optimized parameters to reduce the time required to obtain spatially resolved spectroscopic information. Reductions of 90% and 99% in measurement times are discussed as they relate to differences in resolving spectroscopic features of particles in identical mapping areas. Finally, during this work, we found that additional data processing options were needed and thus developed a customized Python script for importing, processing, analyzing, and visualizing Raman spectroscopic map data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

ION PRODUCTION AND MITIGATION IN DC HIGH-VOLTAGE PHOTO-GUNS

One of the biggest obstacles to operating a GaAs polarized electron source with a long charge lifetime is the mitigation of ion back-bombardment. Several techniques exist to either clear ions from the accelerator or to mitigate ion damage of the photocathode. Predicting the effectiveness of these techniques requires sophisticated simulation models of electron impact ionization within the photo-gun. In this work, the effectiveness of applying a positive anode bias voltage to mitigate ion damage and increase the charge lifetime of the GaAs photocath?ode was studied over three run periods at the Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Lab (JLab). The charge lifetime with the biased anode configuration was 1.80±0.51 times longer than the lifetime of the usual grounded anode configuration. Sim?ulations of ionization within the CEBAF photo-gun and adjacent beamline were made using General Particle Tracer (GPT) and a new C++ custom element to predict and explain the substantial improvement in charge lifetime. The experimental results and the development of the ionization custom element, with its use in simulations of ion back-bombardment with the biased anode, are described in detail.

Yoskowitz, Joshua↗
DOE OSTI2024

Novel One-Step Production of Carbon-Coated Sn Nanoparticles for High-Capacity Anodes in Lithium-Ion Batteries

Lithium-ion batteries offer the highest energy density of any currently available portable energy storage technology. By using different anode materials, these batteries could have an even greater energy density. One material, tin, has a theoretical lithium capacity (994 mAh/g) over three-times higher than commercial carbon anode materials. Unfortunately, to achieve this high capacity, bulk tin undergoes a large volume expansion, and the material pulverizes during cycling, giving a rapid capacity fade. To mitigate this issue, tin must be scaled down to the nano-level to take advantage of unique micromechanics at the nanoscale. Synthesis techniques for Sn nanoparticle anodes are costly and overly complicated for commercial production. A novel one-step process for producing carbon-coated Sn nanoparticles via spark plasma erosion (SPE) shows great promise as a simple, inexpensive production method. The SPE method, characterization of the resulting particles, and their high-capacity reversible electrochemical performance as anodes are described. With only a 10% addition of these novel SPE carbon-coated Sn particles, one anode composition demonstrated a reversible capacity of ~460 mAh/g, achieving the theoretical capacity of that particular electrode formulation. These SPE carbon-coated Sn nanoparticles are drop-in ready for present commercial lithium-ion anode processing and would provide a ~10% increase in the total capacity of current commercial lithium-ion cells.

25 ENERGY STORAGE↗
NASA NTRS2007

Space Weather Nowcasting of Atmospheric Ionizing Radiation for Aviation Safety

There is a growing concern for the health and safety of commercial aircrew and passengers due to their exposure to ionizing radiation with high linear energy transfer (LET), particularly at high latitudes. The International Commission of Radiobiological Protection (ICRP), the EPA, and the FAA consider the crews of commercial aircraft as radiation workers. During solar energetic particle (SEP) events, radiation exposure can exceed annual limits, and the number of serious health effects is expected to be quite high if precautions are not taken. There is a need for a capability to monitor the real-time, global background radiations levels, from galactic cosmic rays (GCR), at commercial airline altitudes and to provide analytical input for airline operations decisions for altering flight paths and altitudes for the mitigation and reduction of radiation exposure levels during a SEP event. The Nowcast of Atmospheric Ionizing Radiation for Aviation Safety (NAIRAS) model is new initiative to provide a global, real-time radiation dosimetry package for archiving and assessing the biologically harmful radiation exposure levels at commercial airline altitudes. The NAIRAS model brings to bear the best available suite of Sun-Earth observations and models for simulating the atmospheric ionizing radiation environment. Observations are utilized from ground (neutron monitors), from the atmosphere (the METO analysis), and from space (NASA/ACE and NOAA/GOES). Atmospheric observations provide the overhead shielding information and the ground- and space-based observations provide boundary conditions on the GCR and SEP energy flux distributions for transport and dosimetry simulations. Dose rates are calculated using the parametric AIR (Atmospheric Ionizing Radiation) model and the physics-based HZETRN (High Charge and Energy Transport) code. Empirical models of the near-Earth radiation environment (GCR/SEP energy flux distributions and geomagnetic cut-off rigidity) are benchmarked against the physics-based CMIT (Coupled Magnetosphere- Ionosphere-Thermosphere) and SEP-trajectory models.

Mertens, Christopher J.↗
NASA NTRS2017

Meteor Shower Forecasting for Spacecraft Operations

Although sporadic meteoroids are a much greater hazard to spacecraft than shower meteoroids in general, meteor showers can significantly increase the risk of damage over short time periods. Because showers are brief, it is sometimes possible to mitigate the risk operationally, which requires accurate predictions of shower activity. NASA's Meteoroid Environment Office generates an annual meteor shower forecast that describes the variations in the near-Earth meteoroid flux produced by meteor showers, which presents the shower flux both in absolute terms and relative to the sporadic ux. The shower forecast incorporates model predictions of annual variations in shower activity and quotes fluxes to several limiting particle kinetic energies. In this work, we describe our forecasting methods, compare them to actual observations, and highlight recent improvements to the temporal pro les based on flux measurements from the Canadian Meteor Orbit Radar (CMOR).

Moorhead, Althea V.↗
DOE OSTI2019

The impact of positron range on PET resolution, evaluated with phantoms and PHITS Monte Carlo simulations for conventional and non-conventional radionuclides

The increasing interest and availability of non-standard positron-emitting radionuclides has heightened the relevance of radionuclide choice in the development and optimization of new positron emission tomography (PET) imaging procedures, both in preclinical research and clinical practice. Differences in achievable resolution arising from positron range can largely influence application suitability of each radionuclide, especially in small-ring preclinical PET where system blurring factors due to annihilation photon acollinearity and detector geometry are less significant. Here, some resolution degradation can be mitigated with appropriate range corrections implemented during image reconstruction, the quality of which is contingent on an accurate characterization of positron range.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Investigation on the electron flux to the wall in the VENUS ion source

The long-term operation of high charge state electron cyclotron resonance ion sources fed with high microwave power has caused damage to the plasma chamber wall in several laboratories. Porosity, or a small hole, can be progressively created in the chamber wall which can destroy the plasma chamber over a few year time scale. A burnout of the VENUS plasma chamber is investigated in which the hole formation in relation to the local hot electron power density is studied. First, the results of a simple model assuming that hot electrons are fully magnetized and strictly following magnetic field lines are presented. The model qualitatively reproduces the experimental traces left by the plasma on the wall. However, it is too crude to reproduce the localized electron power density for creating a hole in the chamber wall. Second, the results of a Monte Carlo simulation, following a population of scattering hot electrons, indicate a localized high power deposited to the chamber wall consistent with the hole formation process. Finally, a hypervapotron cooling scheme is proposed to mitigate the hole formation in electron cyclotron resonance plasma chamber wall.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Ionization Waves of Arbitrary Velocity

The flying focus is a technique in which a chirped laser beam is focused by a chromatic lens to produce an extended focal spot within which laser intensity can propagate at any velocity. If the intensity is above the ionization threshold of a background gas, an ionization wave will track the ionization threshold intensity isosurface as it propagates. We report on the demonstration of such ionization waves of arbitrary velocity. Subluminal and superluminal ionization fronts were produced, both forward- and backward-propagating relative to the ionizing laser. In conclusion, all backward and all superluminal cases mitigated the issue of ionization-induced refraction that typically challenges the formation of long, contiguous plasma channels.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Feedback scheme for kink instability in ERL based electron ion collider

Kink instability presents one of the limiting factors from achieving higher luminosity in ERL based electron ion collider (EIC). However, we can take advantage of the flexibility of the linac and design a feedback system to cure the instability. This scheme raises the threshold of kink instability dramatically and provides opportunity for higher luminosity. We studied the effectiveness of this system and its dependence on the amplitude and phase of the feedback. In this paper we present results of theses studies of this scheme and describe its theoretical and practical limitations. The main advantage of an energy recovery linac (ERL) based electron ion collider (EIC) over a ring-ring type counterpart is the higher achievable luminosity. In ERL-based version, one electron beam collides with the opposing ion beam only once so that the beam-beam parameter can largely exceed the usual limitation in an electron collider ring, while the beam-beam parameter for the ion beam remains small values. The resulting luminosity may be enhanced by one order of magnitude. The beam dynamics related challenges also arise as the luminosity boost in ERL based EIC due to the significant beam-beam effect on the electron beam. The effects on the electron beam include the additional large beam-beam tune shift and nonlinear emittance growth, which are discussed. The ion beam may develop a head-tail type instability, referred as 'kink instability', through the interaction with the electron beam. In this paper, we discuss the feasibility of an active feedback system to mitigate the kink instability, by taking advantage of the flexibility of ERL. Throughout the paper, we will discuss the collision between proton and electron beam. Any other ion species can be scaled by its charge Z and ion mass A.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Emittance and Phase Space Exchange

Alternative chicane-type beam lines are proposed for exact emittance exchange between horizontal phase space (x; x{prime}) and longitudinal phase space (z; {delta}). Methods to achieve exact phase space exchanges, i.e. mapping x to z, x{prime} to {delta}, z to x and {delta} to x{prime} are suggested. Methods to mitigate the thick-lens effect of the transverse cavity on emittance exchange are discussed. Some applications of the phase space exchanger and the feasibility of an emittance exchange experiment with the proposed chicane-type beam line at SLAC are discussed.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Discovering neutrino tridents at the Large Hadron Collider

Neutrino trident production of di-lepton pairs is well recognized as a sensitive probe of both electroweak physics and physics beyond the Standard Model. Although a rare process, it could be significantly boosted by such new physics, and it also allows the electroweak theory to be tested in a new regime. We demonstrate that the forward neutrino physics program at the Large Hadron Collider offers a promising opportunity to measure for the first time, dimuon neutrino tridents with a statistical significance exceeding $5\sigma$. We present predictions for various proposed experiments and outline a specific experimental strategy to identify the signal and mitigate backgrounds, based on "reverse tracking" dimuon pairs in the FASER$\nu$2 detector. We also discuss prospects for constraining beyond Standard Model contributions to neutrino trident rates at high energies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Mitigating the Sign Problem through Basis Rotations

Quantum Monte Carlo simulations of quantum many-body systems are plagued by the Fermion sign problem. The computational complexity of simulating Fermions scales exponentially in the projection time β and system size. The sign problem is basis dependent and an improved basis, for fixed errors, leads to exponentially quicker simulations. Herein, we show how to use sign-free quantum Monte Carlo simulations to optimize over the choice of basis on large two-dimensional systems. We numerically illustrate these techniques decreasing the “badness” of the sign problem by optimizing over single-particle basis rotations on one- and two-dimensional Hubbard systems. We find a generic rotation which improves the average sign of the Hubbard model for a wide range of U and densities for L×4 systems. In one example improvement, the average sign (and hence simulation cost at fixed accuracy) for the 16×4 Hubbard model at U/t=4 and n=0.75 increases by exp[8.64(6)β]. For typical projection times of β ≳ 100, this accelerates such simulation by many orders of magnitude.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Surface Vacancy Engineering Re-Routes First-Cycle Redox for Stabilized Li-Rich Layered Cathodes

We demonstrate that atomic-scale surface disorder can control the first-cycle redox sequence of Li-rich layered oxides, eliminating the detrimental process of oxygen release and lattice collapse that degrades performance. In Li1.14Ni0.32Mn0.54O2 (LNMO), a simple chemical treatment introduces oxygen and transition metal (TM) vacancies confined to the particle surface while preserving the bulk layered framework. Multi-modal synchrotron analyses reveal that these vacancies trigger an early oxygen oxidation below 4.4 V, delay nickel oxidation to higher potential, and suppress the formation of covalent Ni4+─O states. This modified pathway prevents irreversible oxygen release, suppresses manganese dissolution, and maintains metal-oxygen coordination at high voltages. Consequently, the treated cathode delivers higher first-cycle Coulombic efficiency (CE), mitigated voltage fade, and superior capacity retention. By directly linking engineered surface disorder to redox reactions and associated structural transformations, this work establishes a general design principle for durable, high-energy-density cathodes.

Kang, Seongkoo↗
DOE OSTI2023

Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory

The exponential computational cost of describing strongly correlated electrons can be mitigated by adopting a reduced-density-matrix (RDM)-based description of the electronic structure. While variational two-electron RDM (v2RDM) methods can enable large-scale calculations on such systems, the quality of the solution is limited by the fact that only a subset of known necessary N-representability constraints can be applied to the 2RDM in practical calculations. Here, we demonstrate that violations of partial three-particle (T1 and T2) N-representability conditions, which can be evaluated with knowledge of only the 2RDM, can serve as physics-based features in a machine-learning (ML) protocol for improving energies from v2RDM calculations that consider only two-particle (PQG) conditions. Proof-of-principle calculations demonstrate that the model yields substantially improved energies, relative to reference values from configuration-interaction-based calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Thermally driven mesoscale chemomechanical interplay in Li 0.5 Ni 0.6 Mn 0.2 Co 0.2 O 2 cathode materials

While Li ion batteries are intended to be operated within a mild temperature window, their structural and chemical complexity could lead to unanticipated local electrochemical events that could cause extreme temperature spikes, which, in turn, could trigger more undesired and sophisticated reactions in the system. Visualizing and understanding the response of battery electrode materials to thermal abuse conditions could potentially offer a knowledge basis for the prevention and mitigation of the safety hazards. Here we show a comprehensive investigation of thermally driven chemomechanical interplay in a Li 0.5 Ni 0.6 Mn 0.2 Co 0.2 O 2 (charged NMC622) cathode material. We report that, at the early stage of the thermal abuse, oxygen release and internal Li migration occur concurrently, and are accompanied by mechanical disintegration at the mesoscale. At the later stage, Li protrusions are observed on the secondary particle surface due to the limited lithium solubility in non-layered lattices. As a result, the extraction of both oxygen and lithium from the host material at elevated temperature could influence the chemistry and safety at the cell level via rearrangement of the electron and ion diffusion pathways, reduction of the coulombic efficiency, and/or causing an internal short circuit that could provoke a thermal runaway.

25 ENERGY STORAGE↗