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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

3⁢𝑄 magnetic order with spatially alternating spin scalar chirality in overdoped C⁢o 0.336⁢ Ta⁢S 2

C⁢o 𝑥 ⁢Ta⁢S 2 (𝑥≈1/3) exhibits a spontaneous Hall effect from spin texture in antiferromagnets, with a tetrahedral triple-Q (3Q) order and uniform spin scalar chirality. Upon Co overdoping (𝑥>1/3), it undergoes a shift in magnetic ordering vectors from 𝐐 m =(1/2, 0, 0) to (1/3, 0, 0). Interestingly, the spontaneous Hall effect disappeared in the overdoped regime, which was originally attributed to the loss of 3Q order. However, a question remains whether a new type of 3Q order can exist with alternating chirality in the overdoped regime. To address this, we investigated C⁢o 0.336⁢ Ta⁢S 2 using inelastic neutron scattering (INS), neutron diffraction, and optical dichroism, and found that INS data and spin-wave simulations support a 3Q order with alternating chirality. Moreover, neutron diffraction data show field-independent Bragg peaks, while linear dichroism detects no in-plane anisotropy, consistent with threefold rotation symmetry. Our data support the scenario of an alternating-chirality 3Q order in C⁢o 0.336 ⁢Ta⁢S 2 , canceling the spontaneous Hall effect. Furthermore, this study highlights a combined neutron-optical approach to identify complex spin textures.

Landau-Lifschitz-Gilbert equation↗
DOE OSTI2023

Empirical radius formulas for canonical neutron stars from bidirectionally selecting features of equations of state in extended Bayesian analyses of observational data

Significant advancement in Bayesian inference of nuclear equation of state (EOS) from gravitational wave and x-ray observations of neutron stars (NSs) has been made by the nuclear astrophysics community especially since GW170817. By extending the traditional Bayesian analysis which normally ends at presenting the marginalized posterior probability distribution functions (PDFs) of individual EOS parameters and their correlations (or sometimes only the Pearson correlation coefficients which are only reliably useful when the variables are linearly correlated while they are actually often not), we search for a data-driven and robust empirical formula for the radius 𝑅 1.4 of canonical NSs in terms of the characteristic EOS parameters (features). We also identify the single most important but currently poorly known EOS parameter for determining the 𝑅 1.4 . Using three regression-model-building methodologies: bidirectional stepwise feature selection, least absolute shrinkage selection operator (LASSO) regression, and neural network regression on a large set of posterior EOSs and the corresponding 𝑅 1.4 values inferred from earlier comprehensive Bayesian analyses of NS observational data, we systematically and rigorously develop the most probable 𝑅 1.4 formulas with varying statistical accuracy and technical complexity. Here, the most important EOS parameters for determining 𝑅 1.4 are found consistently in each of the feature selection processes to be (in order of decreasing importance): curvature 𝐾 sym , slope 𝐿, skewness 𝐽 sym of nuclear symmetry energy, skewness 𝐽 0 , incompressibility 𝐾 0 of symmetric nuclear matter, and the magnitude 𝐸 sym ⁡(𝜌 0 ) of symmetry energy at the saturation density 𝜌 0 of nuclear matter.

Bayesian methods↗
DOE OSTI2022

Spinor $GW$ Bethe-Salpeter calculations in BerkeleyGW: Implementation, symmetries, benchmarking, and performance

Computing the GW quasiparticle band structure and Bethe-Salpeter equation (BSE) absorption spectra for materials with spin-orbit coupling have commonly been done by treating GW corrections and spin-orbit coupling (SOC) as separate perturbations to density-functional theory. However, accurate treatment of materials with strong spin-orbit coupling (such as many topological materials of recent interest, and thermoelectrics) often requires a nonperturbative approach using spinor wave functions in the Kohn-Sham equation and GW/BSE. Such calculations have only recently become available, in particular for the BSE. Here, we have implemented this approach in the plane-wave pseudopotential GW/BSE code BerkeleyGW, which is highly parallelized and widely used in the electronic-structure community. We present reference results for quasiparticle band structures and optical absorption spectra of solids with different strengths of spin-orbit coupling, including Si, Ge, GaAs, GaSb, CdSe, Au, and Bi 2 Se 3 . The calculated quasiparticle band gaps of these systems are found to agree with experiment to within a few tens of meV. SOC splittings are found to be generally in better agreement with experiment, including quasiparticle corrections to band energies. The absorption spectrum of GaAs is not significantly impacted by the inclusion of spin-orbit coupling due to its relatively small value (0.2 eV) in the Λ direction, while the absorption spectrum of GaSb calculated with the spinor GW/BSE captures the large spin-orbit splitting of peaks in the spectrum. For the prototypical topological insulator Bi 2 Se 3 , we find a drastic change in the low-energy band structure compared to that of DFT, with the spinorial treatment of the GW approximation correctly capturing the parabolic nature of the valence and conduction bands after including off-diagonal self-energy matrix elements. We present the detailed methodology, approach to spatial symmetries for spinors, comparison against other codes, and performance compared to spinless GW/BSE calculations and perturbative approaches to SOC. This work aims to spur further development of spinor GW/BSE methodology in excited-state research software and enables a more accurate and detailed exploration of electronic and optical properties of materials containing elements with large atomic numbers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Binary neutron star mergers as a probe of quark-hadron crossover equations of state

It is anticipated that the gravitational radiation detected in future gravitational wave (GW) detectors from binary neutron star (NS) mergers can probe the high-density equation of state (EOS). In this work, we perform the first simulations of binary NS mergers which adopt various parametrizations of the quark-hadron crossover (QHC) EOS. These are constructed from combinations of a hadronic EOS ($n_b$<2 $n_0$) and a quark-matter EOS ($n_b$>5 $n_0$), where $n_b$ and $n_0$ are the baryon number density and the nuclear saturation density, respectively. At the crossover densities (2 $n_0$ < $n_b$ < 5 $n_0$) the QHC EOSs continuously soften, while remaining stiffer than hadronic and first-order phase transition EOSs, achieving the stiffness of strongly correlated quark matter. This enhanced stiffness leads to significantly longer lifetimes of the postmerger NS than that for a pure hadronic EOS. We find a dual nature of these EOSs such that their maximum chirp GW frequencies $f_{\text{max}}$ fall into the category of a soft EOS while the dominant peak frequencies ($f_{\text{peak}}$) of the postmerger stage fall in between that of a soft and stiff hadronic EOS. An observation of this kind of dual nature in the characteristic GW frequencies will provide crucial evidence for the existence of strongly interacting quark matter at the crossover densities for QCD.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Near-optimal combination of high performance and insensitivity in a shock compressed high explosive single crystal

Achieving the desired combination of superior detonation performance and insensitivity to shock initiation has been a long-standing goal in high explosive (HE) science and technology. Having previously established the shock insensitivity of 1,1-diamino-2,2-dinitroethene (also known as DADNE or FOX-7) single crystals to 20 GPa (extended to 25 GPa in this work), the FOX-7 detonation response was determined through wave profile measurements in ~250 μm thick single crystals shock compressed to 64 GPa. Quite unexpectedly, FOX-7 demonstrated the classic Chapman–Jouguet (C–J) detonation response—reaction completion in the detonation front (<0.7 ns) at pressures of 44 GPa and higher—not observed in other insensitive high explosives. Here, the experimentally determined C–J pressure (35 GPa), detonation wave velocities and the detonation products equation of state—together with shock insensitivity to 25 GPa—demonstrate that FOX-7 single crystals display a near-optimal combination of high performance and shock insensitivity, not observed in another HE crystal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A non-hierarchical correlation discrete variable representation

The correlation discrete variable representation (CDVR) facilitates (multi-layer) multi-configurational time-dependent Hartree (MCTDH) calculations with general potentials. It employs a layered grid representation to efficiently evaluate all potential matrix elements appearing in the MCTDH equations of motion. The original CDVR approach and its multi-layer extension show a hierarchical structure: the size of the grids employed at the different layers increases when moving from an upper layer to a lower one. In this work, a non-hierarchical CDVR approach, which uses identically structured quadratures at all layers of the MCTDH wavefunction representation, is introduced. Here, the non-hierarchical CDVR approach crucially reduces the number of grid points required, compared to the hierarchical CDVR, shows superior scaling properties, and yields identical results for all three representations showing the same topology. Numerical tests studying the photodissociation of NOCl and the vibrational states of CH 3 demonstrate the accuracy of the non-hierarchical CDVR approach.

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

Dispersion relation and instability for an anisotropic nonuniform flowing plasma

A generalized formula for wave instability is developed for an anisotropic nonuniform plasma with finite flows and temperatures. Six-moment fluid equations are solved to give the analytic expression for wave instability in arbitrarily nonuniform plasmas. The analytic formula explicitly states the dependence of wave instability on the nonuniformities of number density, flow velocity, and anisotropic or isotropic pressure. The accuracy of the formalism is verified by a numerical calculation of implicit dispersion relations in complex Fourier space. The analysis shows that nonuniformity plays a critical role in plasma instability, while the flow velocity and anisotropic pressures determine the growth rate of the instability. Lastly, the instability diagram and associated instability criterion for anisotropy-driven instability are introduced as applications of the formalism.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

One- and two-qubit gate infidelities due to motional errors in trapped ions and electrons

In this work, we derive analytic formulas that determine the effect of error mechanisms on one- and two-qubit gates in trapped ions and electrons. First, we analyze and derive expressions for the effect of driving field inhomogeneities on one-qubit gate fidelities. Second, we derive expressions for two-qubit gate errors, including static motional frequency shifts, trap anharmonicities, field inhomogeneities, heating, and motional dephasing. We show that, for small errors, each of our expressions for infidelity converges to its respective numerical simulation; this shows that our formulas are sufficient for determining error budgets for high-fidelity gates, obviating numerical simulations in future projects. All of the derivations are general to any internal qubit state, and any mixed state of the ion crystal's motion that is diagonal in the Fock state basis. Our treatment of static motional frequency shifts, trap anharmonicities, heating, and motional dephasing apply to both laser-based and laser-free gates, while our treatment of field inhomogeneities applies to laser-free systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Direct solution of Minkowski-space Bethe-Salpeter equation in the massive Wick-Cutkosky model

Here in order to solve the Bethe-Salpeter equation (BSE) in the Minkowski space, we first introduce the Nakanishi integral representations of the Bethe-Salpeter amplitude and the Bethe-Salpeter wave function. We then derive the explicit integral equations for the corresponding spectral functions from the BSE for states of two scalar particles bound by a scalar-particle exchange interaction, where the propagators of constituents are allowed to be fully dressed. These integral equations are subsequently solved numerically in the variation of the Wick-Cutkosky model with massive exchange particles, where an algorithm of adaptive mash grid is proposed. The equations and algorithm we develop here serve as the foundation of Minkowski-space formulation of BSE for bound states of fermions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantum field theory, worldline theory, and spin magnitude change in orbital evolution

A previous paper [Z. Bern et al., Binary dynamics through the fifth power of spin at 𝑂⁡(𝐺 2 ), Phys. Rev. Lett. 130, 201402 (2023)] identified a puzzle stemming from the amplitudes-based approach to spinning bodies in general relativity: additional Wilson coefficients appear compared to current worldline approaches to conservative dynamics of generic astrophysical objects, including neutron stars. In this paper we clarify the nature of analogous Wilson coefficients in the simpler theory of electrodynamics. We analyze the original field-theory construction, identifying definite-spin states some of which have negative norms, and relating the additional Wilson coefficients in the classical theory to transitions between different quantum spin states. We produce a new version of the theory which also has additional Wilson coefficients, but no negative-norm states. We match, through 𝒪⁡(𝛼 2 ) and 𝒪⁡(𝑆 2 ), the Compton amplitudes of these field theories with those of a modified worldline theory with extra degrees of freedom introduced by releasing the spin supplementary condition. We build an effective two-body Hamiltonian that matches the impulse and spin kick of the modified field theory and of the worldline theory, displaying additional Wilson coefficients compared to standard worldline approaches. The results are then compactly expressed in terms of an eikonal formula. Our key conclusion is that, contrary to standard approaches, while the magnitude of the spin tensor is still conserved, the magnitude of the spin vector can change under conserved Hamiltonian dynamics and this change is governed by the additional Wilson coefficients. For specific values of Wilson coefficients the results are equivalent to those from a definite spin obeying the spin supplementary condition, but for generic values they are physically inequivalent. These results warrant detailed studies of the corresponding issues in general relativity.

classical black holes↗
DOE OSTI2024

Anomalous conductivity due to relativistic Landau quantization

Here we use a recently developed kinetic model derived from the Dirac equation, in order to study electromagnetic wave propagation in superstrong magnetic fields, such as in magnetars, where relativistic Landau quantization is prominent. The leading contribution to the conductivity tensor in such a plasma is calculated. It is found that the electron Hall current has an anomalous contribution, in the quantum relativistic regime, where the effective particle energy has a significant contribution from the diamagnetic and Zeeman energy. As a result, a new quantum resonance frequency appears, and the dispersion relation for the left- and right-hand polarized modes are strongly modified for long and moderate wavelengths. The implications for magnetar physics are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Producing entangled photon pairs and quantum squeezed states in plasmas

Plasma is capable of mediating the conversion of two pump photons into two different photons through a relativistic four-wave mixing nonlinearity. Spontaneously created photon pairs are emitted at symmetric angles with respect to the colinear pump direction, and the emission rate is largest if they have identical frequency. Thus, two orthogonally polarized pumps can produce polarization-entangled photon pairs through a millimeter-long homogeneous plasma. Here, the noise from Raman scattering can be avoided if the pump detuning differs from twice the plasma frequency. However, pump detuning exactly equal to twice the plasma frequency can significantly enhance the interaction rate, which allows for the production of strong two-mode squeezed states. Remarkably, the amplified noise from Raman scattering are correlated and hence can be suppressed in one of the output quadratures, thereby maintaining the squeezing magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Inference of Multichannel r -process Element Enrichment in the Milky Way Using Binary Neutron Star Merger Observations

Observations of GW170817 strongly suggest that binary neutron star (BNS) mergers produce rapid neutron-capture nucleosynthesis ( r -process) elements. However, it remains an open question whether these mergers can account for all the r -process element enrichment in the Milky Way’s history. Here, we constrain the contributions of the BNS channel using astrophysical neutron star observations. The rate and mass distributions are constrained by LIGO/Virgo/Kagra through the latest catalog GWTC-3, the neutron star equation of state by gravitational-wave, radio, and X-ray observations, and the delay time distribution by short gamma-ray burst (GRB) host galaxy associations. We present a Bayesian framework to consistently combine these observations with abundance information to quantify the contribution and uncertainties of single and multiple astrophysical enrichment sources, and obtain a distribution of per-event BNS r -process element yields consistent with geophysical and astrophysical abundance constraints. We then adopt a Galactic chemical evolution model assuming an instantaneous and fixed amount of Fe enrichment from core-collapse supernovae, and show that BNS-only enrichment scenarios remain inconsistent with the observed r-process abundance trend of disk stars in the Galaxy even with the uncertainties in BNS merger observations. Using stellar abundance observations instead of the short GRB constraints, we can infer a shorter BNS delay time distribution with power-law index α ≤ −2.0 and minimum delay time ${t}_{{\rm{\min }}}\leqslant 40$ Myr at 90% confidence, consistent with detailed Galactic chemical evolution models. Such delay times are in tension with those predicted by standard BNS formation models. Alternatively, we confirm that a two-channel scenario, in which the second channel tracks the star formation history without significant delay, can account for both Galactic stellar and short GRB observations. We estimate that 45%–90% of the r -process abundance in the Milky Way today would have been produced by this star formation-tracking channel, rather than BNS mergers with significant delay times.

gravitational wave astronomy↗
DOE OSTI2023

Improved quasiparticle self-consistent electronic band structure and excitons in β – LiGaO 2

The band structure of β–LiGaO 2 is calculated using the quasiparticle self-consistent QSGWˆ method where the screened Coulomb interaction Wˆ is evaluated including electron-hole interaction ladder diagrams and G is the one-electron Green's function. Improved convergence compared to previous calculations leads to a significantly larger band gap of about 7.0 eV. However, exciton binding energies are found to be large and lead to an exciton gap of about 6.0 eV if also a zero-point-motion correction of about –0.4 eV is included. Furthermore, these results are in excellent agreement with recent experimental results on the onset of absorption. Besides the excitons observed thus far, the calculations indicate the existence of a Rydberg-like series of exciton excited states, which is however modified from the classical Wannier exciton model by the anisotropies of the material and the more complex mixing of Bloch states in the excitons resulting from the Bethe-Salpeter equation. The exciton fine structure and the exciton wave functions are visualized and analyzed in various ways.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Einstein–Rosen waves and the Geroch group

Under the action of the Geroch group, the Minkowski metric can be transformed into any vacuum metric with two commuting Killing vectors. In principle, this reduces the problem of deriving vacuum metrics with two commuting Killing vectors to pure algebra. In this short note, we use these facts to give a purely algebraic derivation of the Einstein-Rosen metric, which describes a cylindrical gravitational wave. Furthermore, our derivation has a straightforward extension to gravitational pulse waves.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Heat Loss Correction Factor for Fireball Yield Measurements

Fireball yield calculations are performed using Taylor’s radius equation. However, at early times, the x-ray diffusion process has a significant effect on the size of the fireball, and at late times the shock wave degenerates into an acoustic wave. Thus, earlier research determined that the range of validity for Taylor’s equation was in the scaled time regime of 0.004–0.008 s. So, when performing a yield calculation, the only values that are analyzed are those that lie within that range of validity. While Taylor’s equations offer an approximation of the scaled yield, they also rely on several assumptions. For example, the equations assume that the shock wave is adiabatic, when, in fact, the first light pulse on the nuclear test films, which occurs as the shock wave is forming, suggests that the shock wave is not adiabatic. Furthermore, the amount of heat loss from the shock wave that occurs prior to the scaled time regime of 0.004–0.008 s can change significantly as a function of air density. This may cause the shock wave radius to be smaller relative to the assumed adiabatic shock wave. Therefore, the objective of this project was to determine the correction factor for heat transfer, which should be applied in order to produce a more accurate approximation of the weapon’s yield.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2020

Wave-by-Wave Forecasting via Assimilation of Marine Radar Data

Abstract This work describes a phase-resolving wave-forecasting algorithm that is based on the assimilation of marine radar image time series. The algorithm is tested against synthetic data and field observations. The algorithm couples X-band marine radar observations with a phase-resolving wave model that uses the linear mild slope equations for reconstruction of water surface elevations over a large domain of O (km) and a prescribed time window of O (min). The reconstruction also enables wave-by-wave forecasting through forward propagation in space and time. Marine radar image time series provide the input wave observations through a previously given relationship between backscatter intensity and the radial component of the sea surface slope. The algorithm assimilates the wave slope information into the model via a best-fit wave source function at the boundary that minimizes the slope reconstruction error over an annular region at the outer ranges of the radar images. The wave model is then able to propagate the waves across a polar domain to a location of interest at nearer ranges. The constraints on the method for achieving real-time forecasting are identified, and the algorithm is verified against synthetic data and tested using field observations.

Engineering↗
DOE OSTI2020

Annihilation-to-nothing: a quantum gravitational boundary condition for the Schwarzschild black hole

The interior of a static Schwarzschild metric can be written in terms of two functions, similar to some models of anisotropic cosmology. With a suitable choice of canonical variables, we solve the Wheeler-DeWitt equation (WDW) inside the horizon of a Schwarzschild black hole. By imposing classicality near the horizon, and requiring boundedness of the wave function, we get a rather generic solution of the WDW equation, whose steepest-descent solution, i.e., the ridge of the wave function, coincides nicely with the classical trajectory. However, there is an ambiguity in defining the arrow of time which leads to two possible interpretations—(i) if there is only one arrow of time, one can infer that the steepest-descent of the wave function follows the classical trajectory throughout: coming from the event horizon and going all the way down to the singularity, while (ii) if there are two different arrows of time in two separate regimes, it can be inferred that the steepest-descent of the wave function comes inwards from the event horizon in one region while it moves outwards from the singularity in the other region, and there exists an annihilation process of these two parts of the wave function inside the horizon. Additionally, adopting the second interpretation could shed light on the information loss paradox: as time goes on, probabilities for histories that include black holes and singularities decay to zero and eventually only trivial geometries dominate.

79 ASTRONOMY AND ASTROPHYSICS↗