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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Life Cycle Emissions Factors for Electricity Generation Technologies

This dataset consists of a table containing the distribution of literature estimates of greenhouse gas emissions for the following electricity generation and storage technologies: biopower, coal, concentrating solar power, geothermal, hydrogen storage, hydropower, lithium-ion battery storage, natural gas, nuclear, ocean, oil, photovoltaic, pumped-storage hydropower, and wind. Quartile estimates of life cycle emissions factors in units of grams of carbon dioxide equivalent per kilowatt hour of generation (g CO2e/kWh) are provided for the following life cycle stages: one-time upstream, ongoing combustion, ongoing non-combustion, one-time downstream, and total. Literature estimates were compiled by the LCA Harmonization study and subsequent updates, as detailed in the factsheet which accompanies this dataset, https://www.nlr.gov/docs/fy21osti/80580.pdf .

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Long-run Marginal Emission Rates for Electricity - Workbooks for 2022 Cambium Data

These workbooks contain modeled estimates of long-run marginal emission rates (LRMER) for the contiguous United States. A LRMER is an estimate of the rate of emissions that would be either induced or avoided by a change in electric demand, taking into account how the change could influence both the operation as well as the structure of the grid (i.e., the building and retiring of capital assets, such as generators and transmission lines). It is therefore distinct from the more-commonly-known short-run marginal, which treat grid assets as fixed. Long-run marginal emissions rates are generally appropriate to use when trying to comprehensively estimate the impact of a long-lived (i.e., more than several years) intervention. There are two workbooks that supply the data at two different geographic resolutions: states and GEA regions (20 regions that are similar to, but not exactly the same as, the US EPA's eGRID regions). For more data underlying these emissions factors, see the Cambium 2022 project at https://scenarioviewer.nrel.gov/. For more details on input assumptions and methodology see the associated report (Cambium 2022 Scenario Descriptions and Documentation, https://www.nrel.gov/docs/fy23osti/84916.pdf). This data is planned to be updated annually. Information on the latest versions can be found at https://www.nrel.gov/analysis/cambium.html.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Taming the fixed-node error in diffusion Monte Carlo via range separation

By combining density-functional theory (DFT) and wave function theory via the range separation (RS) of the interelectronic Coulomb operator, we obtain accurate fixed-node diffusion Monte Carlo (FN-DMC) energies with compact multi-determinant trial wave functions. In particular, we combine here short-range exchange-correlation functionals with a flavor of selected configuration interaction known as configuration interaction using a perturbative selection made iteratively (CIPSI), a scheme that we label RS-DFT-CIPSI. One of the take-home messages of the present study is that RS-DFT-CIPSI trial wave functions yield lower fixed-node energies with more compact multi-determinant expansions than CIPSI, especially for small basis sets. Indeed, as the CIPSI component of RS-DFT-CIPSI is relieved from describing the short-range part of the correlation hole around the electron-electron coalescence points, the number of determinants in the trial wave function required to reach a given accuracy is significantly reduced as compared to a conventional CIPSI calculation. Importantly, by performing various numerical experiments, we evidence that the RS-DFT scheme essentially plays the role of a simple Jastrow factor by mimicking short-range correlation effects, hence avoiding the burden of performing a stochastic optimization. Considering the 55 atomization energies of the Gaussian-1 benchmark set of molecules, we show that using a fixed value of mu = 0.5 bohr(-1) provides effective error cancellations as well as compact trial wave functions, making the present method a good candidate for the accurate description of large chemical systems.

Scemama, Anthony↗
DOE OSTI2023

Excitation of surface waves in 3D ion beam neutralization

Neutralization of beams with 2D and 3D geometries by the electrons emitted from an external source is studied using particle-in-cell simulations. Our work reveals that the high-energy electrons excite Trivelpiece–Gould (TG) surface waves in the beams with 3D axisymmetric geometries. These high-energy electrons are generated because of a large amplitude electrostatic solitary wave (ESW) that forms near the electron source and has an electric potential amplitude more than three times the electron thermal energy. Here, we also find that surface wave excitation only happens when the beam radius is large enough at the ion source to attract enough electrons that could form the large amplitude ESW. A comparison of the 3D TG surface wave dispersion relation with an expression for 2D surface waves reveals that they become excited in 3D axisymmetric but not in 2D planar beam because of a higher phase speed requirement in the latter case.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Real-time imaging of acoustic waves in bulk materials with X-ray microscopy

The dynamics of lattice vibrations govern many material processes, such as acoustic wave propagation, displacive phase transitions, and ballistic thermal transport. The maximum velocity of these processes and their effects is determined by the speed of sound, which therefore defines the temporal resolution (picoseconds) needed to resolve these phenomena on their characteristic length scales (nanometers). Here, we present an X-ray microscope capable of imaging acoustic waves with subpicosecond resolution within mm-sized crystals. We directly visualize the generation, propagation, branching, and energy dissipation of longitudinal and transverse acoustic waves in diamond, demonstrating how mechanical energy thermalizes from picosecond to microsecond timescales. Bulk characterization techniques capable of resolving this level of structural detail have previously been available on millisecond time scales—orders of magnitude too slow to capture these fundamental phenomena in solid-state physics and geoscience. As such, the reported results provide broad insights into the interaction of acoustic waves with the structure of materials, and the availability of ultrafast time-resolved dark-field X-ray microscopy opens a vista of new opportunities for 3D imaging of materials dynamics on their intrinsic submicrosecond time scales.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Dirac Magnon in Honeycomb Lattice Magnet NiTiO 3

We performed inelastic neutron scattering experiments on single-crystal samples of the honeycomb lattice magnet, ilmenite NiTiO 3 . Below the Néel temperature of 22 K, spin wave excitations with a band energy of 3.7 meV were observed. Further, the neutron energy spectra were well-reproduced by modeling the system as a ferromagnetic honeycomb lattice with antiferromagnetic interlayer coupling, using linear spin wave theory. Similar to another ilmenite CoTiO 3 , a crossing structure was observed at the K point, suggesting the presence of Dirac magnons in NiTiO 3 . Further calculations suggested the formation of Dirac nodal line.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Interplay of superconducting, metallic, and crystalline states of composite fermions at 𝜈 = $\frac{1}{6}$ in wide quantum wells

Evidence for developing fractional quantum Hall effect (FQHE) at filling fraction 𝜈 = 1/6 and 1/8 was recently reported in wide GaAs quantum wells [Wang et al., Phys. Rev. Lett. 134, 046502 (2025)]. In this article, we theoretically investigate the nature of the state at 𝜈 = 1/6 as a function of the quantum well width and the density by considering composite-fermion (CF) crystals, CF Fermi sea, and various kinds of paired CF states. The 𝑓-wave paired state has the lowest energy among the paired CF states. However, for parameters of interest, the energies of the CF crystal, the CF Fermi liquid, and the 𝑓-wave paired CF state are too close to distinguish. We, therefore, predict that 𝑖𝑓 the FQHE at 𝜈 = 1/6 is experimentally confirmed, this state would be an 𝑓-wave paired state of CFs, which can be verified by measurement of its thermal Hall conductance. Exact diagonalization studies on clean systems with up to eight electrons show that the ground states at 𝜈 = 𝑛/(6⁢𝑛 ± 1) are incompressible for all widths and densities we have considered, and are well described by the corresponding Laughlin and Jain states. We propose a phase diagram for large quantum well widths and densities in which at zero disorder, incompressible FQHE states are stabilized at 𝜈 = 𝑛/(6⁢𝑛 ± 1) and 𝜈 = 1/6, but in between these fillings the CF crystal is stabilized. We also present a qualitative discussion on the effects of disorder and propose a schematic phase diagram based on it. With disorder, which creates a spatial variation in the filling factor, two regimes are identified: (i) for small disorder, when the incompressible states percolate at the special fillings, FQHE with quantized Hall plateaus and vanishing longitudinal resistance should occur; and (ii) for larger disorder, when the CF crystal percolates, the longitudinal resistance rises with decreasing temperature but the domains of FQHE liquid produce minima at the special filling factors. Here, experiments are consistent with the latter scenario. We also mention a possible connection of the phase diagram presented here to a puzzling behavior observed for the fractional quantum anomalous Hall effect in pentalayer graphene.

Composite fermions↗
DOE OSTI2023

Plasma Emission, Wave Speeds, and Temperatures of Laser-Supported Plasmas in Air

A study of the generation and subsequent expansion of plasmas using a single beam (532 nm) from the second harmonic generator of a Q-switched Nd:YAG laser is described. The plasmas in air are studied using an intensified charge-coupled device camera over periods of 1000 ns following the laser pulses. The plasma experimental results are interpreted in terms of wave speeds and plasma temperatures. Energy balance equations are considered to estimate the plasma temperatures and the laser-supported radiation (LSR) and the laser-supported detonation (LSD) wave speeds. Within 1000 ns observation time, the circular spectral images turn elliptical because of plasma expansion toward the laser beam. The plasma expansion increases with increasing laser irradiance. A laser irradiance range of [Formula: see text] yields LSR wave speeds between 45 and 170 km/s and LSD wave speeds of 90–130 km/s. The measured wave speeds are compared with the LSR and the LSR wave speed models. The plasma temperatures are between 90,000 and 120,000 K at 15 ns after the laser pulse based on measured emission spectra and are between 640,000 and 760,000 K at 3 ns based on the LSR model.

Engineering↗
DOE OSTI2023

Proto-neutron star convection and the neutrino-driven wind: implications for the r-process

The neutrino-driven wind from proto-neutron stars is a proposed site for r-process nucleosynthesis, although most previous work has found that a wind heated only by neutrinos cannot produce the third r-process peak. However, several groups have noted that introducing a secondary heating source within the wind can change the hydrodynamic conditions sufficiently for a strong r-process to proceed. One possible secondary heating source is gravito-acoustic waves, generated by convection inside the proto-neutron star. As these waves propagate into the wind, they can both accelerate the wind and shock and deposit energy into the wind. Additionally, the acceleration of the wind by these waves can reduce the total number of neutrino captures and thereby reduce the final electron fraction of the wind. In neutron rich conditions, all of these effects can make conditions more favourable for r-process nucleosynthesis. Here, we present a systematic investigation of the impact of these convection-generated gravito-acoustic waves within the wind on potential nucleosynthesis. We find that wave effects in the wind can generate conditions favourable for a strong r-process, even when the energy flux in the waves is a factor of 10 –4 smaller than the total neutrino energy flux and the wind is marginally neutron rich. Nevertheless, this depends strongly on the radius at which the waves become non-linear and form shocks. We also find that both entropy production after shock formation and the acceleration of the wind due to stresses produced by the waves prior to shock formation impact the structure and nucleosynthesis of these winds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The Role of Kinetic Instabilities and Waves in Collisionless Magnetic Reconnection

Magnetic reconnection converts magnetic field energy into particle energy by breaking and reconnecting magnetic field lines. Magnetic reconnection is a kinetic process that generates a wide variety of kinetic waves via wave-particle interactions. Kinetic waves have been proposed to play an important role in magnetic reconnection in collisionless plasmas by, for example, contributing to anomalous resistivity and diffusion, particle heating, and transfer of energy between different particle populations. These waves range from below the ion cyclotron frequency to above the electron plasma frequency and from ion kinetic scales down to electron Debye length scales. This review aims to describe the progress made in understanding the relationship between magnetic reconnection and kinetic waves. We focus on the waves in different parts of the reconnection region, namely, the diffusion region, separatrices, outflow regions, and jet fronts. Particular emphasis is placed on the recent observations from the Magnetospheric Multiscale (MMS) spacecraft and numerical simulations, which have substantially increased the understanding of the interplay between kinetic waves and reconnection. Some of the ongoing questions related to waves and reconnection are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Alpha-alpha scattering in the Multiverse

We investigate the phase shifts of low-energy α-α scattering under variations of the fundamental parameters of the Standard Model, namely the light quark mass, the electromagnetic fine-structure constant as well as the QCD θ-angle. As a first step, we recalculate α-α scattering in our Universe utilizing various improvements in the adiabatic projection method, which leads to an improved, parameter-free prediction of the S- and D-wave phase shifts for laboratory energies below 10 MeV. We find that positive shifts in the pion mass have a small effect on the S-wave phase shift, whereas lowering the pion mass adds some repulsion in the two-alpha system. The effect on the D-wave phase shift turns out to be more pronounced as signaled by the D-wave resonance parameters. Variations of the fine-structure constant have almost no effect on the low-energy α-α phase shifts. We further show that up-to-and-including next-to-leading order in the chiral expansion, variations of these phase shifts with respect to the QCD θ-angle can be expressed in terms of the θ-dependent pion mass.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Force-free Wave Interaction in Magnetar Magnetospheres: Computational Modeling in Axisymmetry

Abstract Crustal quakes of highly magnetized neutron stars can disrupt their magnetospheres, triggering energetic phenomena like X-ray and fast radio bursts. Understanding plasma wave dynamics in these extreme environments is vital for predicting energy transport across scales to the radiation length. This study models relativistic plasma wave interaction in magnetar magnetospheres with force-free electrodynamics simulations. For propagation along curved magnetic field lines, we observe the continuous conversion of Alfvén waves to fast magnetosonic (FMS) waves. The conversion efficiency can be up to three times higher when counter-propagating Alfvén waves interact in the equatorial region. Alfvén waves generate FMS waves of twice their frequency during their first crossing of the magnetosphere. After the initial transient burst of FMS waves, Alfvén waves convert to FMS waves periodically, generating variations on timescales of the magnetospheric Alfvén wave crossing time. This decaying FMS wave tail carries a significant portion (half) of the total energy emitted. Plastic damping of “bouncing” Alfvén waves by the magnetar crust has minimal impact on the FMS efficiency. We discuss the implications of the identified wave phenomena for magnetar observations. Outgoing FMS waves can develop electric zones, potential sources of coherent radiation. Long wavelength FMS waves could generate FRBs through reconnection beyond the light cylinder.

Astronomy & Astrophysics↗
DOE OSTI2026

Propagation of elastic waves in a flexomagnetic solid

Flexomagnetism is the coupling between magnetism and strain gradients and is a technologically relevant phenomenon. We present a theory of elastic wave propagation in a linear elastic flexomagnetic material with microstructure and strain gradient elastic interactions. The expressions of frequency, phase velocity, and group velocity of longitudinal and transverse waves are derived and are shown to depend on the flexomagnetic coefficient and microstructure. We also show that the effect of flexomagnetism and microstructure can lead to some interesting phenomena in wave propagation, which are not observed in classical linear elasticity theory of waves. Specifically, in contrast to classical linear elastic materials, where wave propagation is non-dispersive, flexomagnetic materials with microstructure can exhibit both normal and abnormal dispersion. It is also noteworthy that, in flexomagnetic materials with gradient elasticity, the phase velocities of transverse waves can exceed those of longitudinal waves, which is atypical in classical elasticity. Furthermore, waves can also attenuate for a certain range of wavenumbers that depend on the flexomagnetic coefficient and microstructural parameters. Finally, we explore the possibility of waves exhibiting zero group velocity modes, where waves are non-propagating but have strong local energy confinement, negative group velocity modes, where the wave packet moves in the opposite direction to that of wave propagation, and the phenomenon of wave freezing, where a propagating wave stops in space without diffusing or spreading.

Ghosh, Swarnava [ORNL] (ORCID:0000000338005264)↗
DOE OSTI2024

NREL's Facilities are ISO 17025 Accredited!

This fact sheet covers what accredited testing is. It highlights the value add of accredited testing. It also describes the types of testing NREL is accredited for in marine energy.

accredited testing↗
DOE OSTI2024

Single Electron Self-coherence and Its Wave/Particle Duality in the Electron Microscope

Intensities in high-resolution phase-contrast images from electron microscopes build up discretely in time by detecting single electrons. A wave description of pulse-like coherent-inelastic interaction of an electron with matter implies a time-dependent coexistence of coherent partial waves. Their superposition forms a wave package by phase decoherence of 0.5 - 1 radian with Heisenbergs energy uncertainty ΔE H = $\hbar$/2 Δt -1 matching the energy loss ΔE of a coherent-inelastic interaction and sets the interaction time Δt. In these circumstances, the product of Planck's constant and the speed of light hc is given by the product of the expression for temporal coherence λ 2 /Δλ and the energy loss ΔE. Experimentally, the self-coherence length was measured by detecting the energy-dependent localization of scattered, plane matter waves in surface proximity exploiting the Goos–Hänchen shift. Chromatic-aberration Cc-corrected electron microscopy on boron nitride (BN) proves that the coherent crystal illumination and phase contrast are lost if the self-coherence length shrinks below the size of the crystal unit cell at ΔE > 200 eV. Finally, in perspective, the interaction time of any matter wave compares with the lifetime of a virtual particle of any elemental interaction, suggesting the present concept of coherent-inelastic interactions of matter waves might be generalizable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Variational quantum solver employing the PDS energy functional

In our previous work (J. Chem. Phys. 2020, 153, 201102),we reported a new class of quantum algorithms that are based on the quantum computation of the connected moment expansion to find the ground and excited state energies. In particular, the Peeters-Devreese-Soldatov (PDS) formulation is found variational and bearing the potential for further combining with the existing variational quantum infrastructure. Following this direction, here we propose a variational quantum solver employing the PDS energy gradient. In comparison with the usual variational quantum eigensolver (VQE) and the original static PDS approach, the proposed variational quantum solver offers an effective approach to achieve high ac-curacy at finding the ground state and its energy through the rotation of the trial wave function of modest quality guided by the low order PDS energy gradients, thus improves the ac-curacy and efficiency of the quantum simulation. We demonstrate the performance of the proposed variational quantum solver for toy models, H2molecule, and strongly correlated planar H4system in some challenging situations. In all the case studies, the proposed variational quantum approach out-performs the usual VQE and static PDS calculations even at the lowest order.

Peng, Bo↗