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At least 397 records · Page 22

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DOE OSTI2020

Spectral-density estimation with the Gaussian integral transform

The spectral-density operator $\hat{ρ}(ω) = δ(ω–\hat{H})$ plays a central role in linear response theory as its expectation value, the dynamical response function, can be used to compute scattering cross sections. In this work, we describe a near optimal quantum algorithm providing an approximation to the spectral density with energy resolution $\Delta$ and error $\epsilon$ using $O(\sqrt{\text{log}_2 (1/ε)[\text{log}_2 (1 / Δ) + \text{log}_2 (1/ε)]/ Δ)}$ operations. This is achieved without using expensive approximations to the time-evolution operator, but instead exploiting qubitization to implement an approximate Gaussian integral transform of the spectral density. Finally, we also describe appropriate error metrics to assess the quality of the spectral function approximations more generally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1984

Analysis of the surface load and radiated sound of a vibrating airfoil with application to the experiment of Brooks

A method is developed for calculating the surface load and radiated sound from a vibrating surface in a compressible viscous fluid. The method is applied to a thin two-dimensional elliptic cross-section. For large values of the viscous diffusion parameter, the surface load tends to an elliptic distribution in agreement with the results of inviscid theory when edge pressure continuity is enforced. For thin surfaces, the surface load is insensitive to variations in the thickness ratio. A three-dimensional spectral technique is developed to calculate the inviscid surface load and radiated sound from a thin vibrating airfoil. The inviscid theory predicts the correct form of the far field sound pressure and its phase. The actual levels are somewhat sensitive to the choice of theoretical spanwise surface pressure mode but are in better agreement with the experiment than the surface pressure. The comparison of theoretical and experimental surface pressure indicates that the viscous theory, used to validate the inviscid theory, is either inadequate or there is a source of experimental error.

Yates, J. E.↗

NASA NTRS1997

Learnability of Red-Green Opponency

Lennie, Haake, and Williams found that in the lateral geniculate nucleus (LGN), parvocellular unit responses are consistent with the hypothesis that their input connectivity is blind to the difference between middle-wavelength-sensitive (MWS) and long-wavelength-sensitive (LWS) cones. Most of their cells have a total MWS input weight opposite in sign and similar in magnitude to their total LWS input weight. If these weights are exactly balanced, the construction of a red-green opponent system from such units is simple: such units need only be aligned so the signs of their outputs agree. Ahumada and Mulligan described an associative learning process which can accomplish this alignment. If the units are not balanced (carry some luminance information), the strong overlap between the MWS and LWS spectral responses can cause units to agree more on the basis of luminance, and the associative process fails to produce red-green opponency. The learning theory requires that the LGN units be nearly balanced (more strongly encode chromaticity than luminance) and quantitatively expresses the requirement: the principal component of the LGN outputs must be in the red-green rather than the luminance direction. We show that the cone weights of the monkey LGN cells measured by Derrington, Krauskopf, and Lennie can satisfy this learnability criterion even if the MWS spectral response is close to the LWS spectral response, simulating anomalous trichromacy. The learnability theory provides a source of visual system variation for explaining why different anomalous trichromats may make the same average anomaloscope match (same pigments), but have either narrow (good opponent learning) or wide (poor learning) ranges of acceptable matches.

Ahumada, Albert J., Jr.↗

NASA NTRS1977

Determination and error analysis of emittance and spectral emittance measurements by remote sensing

The author has identified the following significant results. From the theory of remote sensing of surface temperatures, an equation of the upper bound of absolute error of emittance was determined. It showed that the absolute error decreased with an increase in contact temperature, whereas, it increased with an increase in environmental integrated radiant flux density. Change in emittance had little effect on the absolute error. A plot of the difference between temperature and band radiance temperature vs. emittance was provided for the wavelength intervals: 4.5 to 5.5 microns, 8 to 13.5 microns, and 10.2 to 12.5 microns.

Dejesusparada, N.↗

NASA NTRS2005

Mars Geological Province Designations for the Interpretation of GRS Data

Introduction: An overarching geologic theory, GEOMARS, coherently explains many otherwise anomalous aspects of the geological history of Mars. Premises for a theory of martian geologic evolution include: (1) Mars is a water-rich terrestrial planet, (2) terrestrial planets should evolve through progressive stages of dynamical history (accretion, differentiation, tectonism) and mantle convection (magma ocean, plate tectonism, stagnant lid), and (3) the early history of Earth affords an analogue to the evolution of Mars. The theory describes the following major stages of evolution for Mars (from oldest to youngest): Stage 1 - shortly after accretion, Mars differentiates to a liquid metallic core, a mantle boundary (MBL) of high-pressure silicate mineral phases, upper mantle, magma ocean, thin komatiic crust, and convecting steam atmosphere; Stage 2- Mars cools to condense its steam atmosphere and transform its mode of mantle convection to plate tectonism; subduction of waterrich oceanic crust initiates arc volcanism and transfers water, carbonates and sulfates to the mantle; Stage 3 - the core dynamo initiates, and the associated magnetosphere leads to conditions conducive to the development of near-surface life and photosynthetic production of oxygen; Stage 4 - accretion of thickened, continental crust and subduction of hydrated oceanic crust to the mantle boundary layer and lower mantle of Mars occurs; Stage 5 - the core dynamo stops during Noachian heavy bombardment while plate tectonism continues; Stage 6 - initiation of the Tharsis superplume (approx. between 4.0 and 3.8Ga) occurs, and Stage 7 - the superlume phase (stagnant-lid regime) of martian planetary evolution with episodic phases of volcanism and water outflows continues into the present. The GEOMARS Theory is testable through a multidisciplinary approach, including utilizing GRS-based information. Based on a synthesis of published geologic, paleohydrologic, topographic, geophysical, spectral, and elemental information, we have defined geologic provinces that represent significant windows into the geological evolution of Mars, unfolding the GEOMARS Theory and forming the basis for interpreting GRS data.

Dohm, J. M.↗

NASA NTRS1990

Rough surface scattering results based on bandpass autocorrelation forms

Surface-height autocorrelation forms such as Gaussian and exponential are often used in studies of near-normal incidence rough-surface scattering. Such models require the existence of a constant, or DC, value in the spectrum. The consequences of autocorrelation forms that correspond to spectral processes that are essentially bandpass in nature are examined. One such process is that of ocean wind waves. In this case, the spectral components do not extend down to zero frequency. The physical optics backscatter theory is reexamined relative to such autocorrelation functions. Experimental results obtained from a wavetank are compared to the autocorrelation model used in the analysis. The analysis indicates that Gaussian correlation length or mean-square slope is not an appropriate parameter for narrowband conditions and that significant slope is a more relevant parameter. Inherent in the deep-phase assumption is some form of slope dependency. The analysis given (and variants thereof) can be used to provide insight into the physical effects of separate spectral components and of spectral directionality.

Miller, Lee S.↗

DOE OSTI2023

Stability of the modulator in a plasma-modulated plasma accelerator

We explore the regime of operation of the modulator stage of a recently proposed laser-plasma accelerator scheme [Phys. Rev. Lett. 127, 184801 (2021)], dubbed the plasma-modulated plasma accelerator (P-MoPA). The P-MoPA scheme offers a potential route to high-repetition-rate, GeV-scale plasma accelerators driven by picosecond-duration laser pulses from, for example, kilohertz thin-disk lasers. The first stage of the P-MoPA scheme is a plasma modulator in which a long, high-energy “drive” pulse is spectrally modulated by copropagating in a plasma channel with the low-amplitude plasma wave driven by a short, low-energy “seed” pulse. The spectrally modulated drive pulse is converted to a train of short pulses, by introducing dispersion, which can resonantly drive a large wakefield in a subsequent accelerator stage with the same on-axis plasma density as the modulator. In this paper we derive the 3D analytic theory for the evolution of the drive pulse in the plasma modulator and show that the spectral modulation is independent of transverse coordinate, which is ideal for compression into a pulse train. We then identify a transverse mode instability (TMI), similar to the TMI observed in optical fiber lasers, which sets limits on the energy of the drive pulse for a given set of laser-plasma parameters. We compare this analytic theory with particle-in-cell (PIC) simulations and find that even higher energy drive pulses can be modulated than those demonstrated in the original proposal.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Influence of inhomogeneous stochasticity on the falsifiability of mean-field theories and examples from accretion disc modelling

ABSTRACT Despite spatial and temporal fluctuations in turbulent astrophysical systems, mean-field theories can be used to describe their secular evolution. However, observations taken over time scales much shorter than dynamical time scales capture a system in a single state of its turbulence ensemble. Comparing with mean-field theory can falsify the latter only if the theory is additionally supplied with a quantified precision. The central limit theorem provides appropriate estimates to the precision only when fluctuations contribute linearly to an observable and with constant coherent scales. Here, we introduce an error propagation formula that relaxes both limitations, allowing for non-linear functional forms of observables and inhomogeneous coherent scales and amplitudes of fluctuations. The method is exemplified in the context of accretion disc theories, where inhomogeneous fluctuations in the surface temperature are propagated to the disc emission spectrum – the latter being a non-linear and non-local function of the former. The derived precision depends non-monotonically on emission frequency. Using the same method, we investigate how binned spectral fluctuations in telescope data change with the spectral resolving power. We discuss the broader implications for falsifiability of a mean-field theory.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Thermal modifications of mesons and energy-energy correlators from real-time simulations of a 𝑈⁡(1) lattice gauge theory

We investigate thermal properties of a 𝑈⁡(1) lattice gauge theory in 1 + 1 dimensions through real-time simulations. We extract the spectral functions directly coupling to the pseudoscalar and scalar mesons, demonstrating the thermal modifications of these states with increasing temperatures. Introducing the notion of energy-flow operators, we quantify the temporal buildup of correlations in the energy flows across the lattice. We demonstrate that energy-energy correlators fail to factorize to products of energy flows, both in the vacuum and at nonzero temperature, indicating the presence of nontrivial correlations in the quantum states. Our results constitute a first real-time ab initio study of bound-state thermal broadening and finite temperature energy-flow correlations in a gauge theory, providing a benchmark for future studies of hadronic matter under extreme conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Soft X-ray Emission Spectroscopy of Phosphorus Compounds for Energy Conversion and Storage

Phosphorus (P) is a ubiquitous component of materials for energy conversion and storage. Despite the effectiveness of soft X-ray emission spectroscopy (XES) to characterize these complex materials, XES studies of P-containing compounds are still largely missing. In this investigation, the electronic structure and XES signatures from the P L 2,3 -edge are probed for nine solid-state P-containing compounds characterized by various oxidation states and chemical environments: GaP (3−) , InP (3−) , red-P (0) , H 3 P (3+) O 3 , Na 2 H 2 P 2 (4+) O 6 , H 3 P (5+) O 4 , KH 2 P (5+) O 4 , Na 2 HP (5+) O 4 , and InP (5+) O 4 . The XES spectrum of each material exhibits distinct spectral fingerprints, which provide a robust basis for the speciation of complex P-containing samples. Density functional theory calculations shed light on the electronic structure of selected materials and particularly on the effect of phosphorus-oxygen hybridization. This study provides a comprehensive understanding of P L 2,3 XES spectral fingerprints across a wide range of oxidation states and chemical environments. These data sets and insights pave the way for dedicated future work, such as in situ and operando investigations of P-containing compounds in energy-related applications, where speciation of P compounds is needed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Gravitational effective field theory islands, low-spin dominance, and the four-graviton amplitude

Abstract We analyze constraints from perturbative unitarity and crossing on the leading contributions of higher-dimension operators to the four-graviton amplitude in four spacetime dimensions, including constraints that follow from distinct helicity configurations. We focus on the leading-order effect due to exchange by massive degrees of freedom which makes the amplitudes of interest infrared finite. In particular, we place a bound on the coefficient of the R 3 operator that corrects the graviton three-point amplitude in terms of the R 4 coefficient. To test the constraints we obtain nontrivial effective field-theory data by computing and taking the large-mass expansion of the one-loop minimally-coupled four-graviton amplitude with massive particles up to spin 2 circulating in the loop. Remarkably, we observe that the leading EFT coefficients obtained from both string and one-loop field-theory amplitudes lie in small islands. The shape and location of the islands can be derived from the dispersive representation for the Wilson coefficients using crossing and assuming that the lowest-spin spectral densities are the largest. Our analysis suggests that the Wilson coefficients of weakly-coupled gravitational physical theories are much more constrained than indicated by bounds arising from dispersive considerations of 2 → 2 scattering. The one-loop four-graviton amplitudes used to obtain the EFT data are computed using modern amplitude methods, including generalized unitarity, supersymmetric decompositions and the double copy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Computing nuclear response functions with time-dependent coupled-cluster theory

We compute nuclear response functions by solving the time-dependent 𝐴-body Schrödinger equation, recording the time-dependent transition moment and extracting spectral information via Fourier transforms. The solution of the time-dependent many-body problem accounts for correlations on top of the mean field by taking advantage of a time-dependent formulation of coupled-cluster theory. As a validation, we focus on electric dipole transitions in 4 He and 16 O and compare moments of the response function distribution to the results of an equivalent static framework, finding negligible discrepancies. We investigate how proton and neutron densities evolve in time, and we see the traditional picture of soft and giant dipole resonances as collective oscillations of protons and neutrons emerging from our calculations in 16 O and 24 O. Furthermore, this method also allows us to investigate the behavior of the nucleus in the presence of a strong electric field. In that regime, the behavior of the system becomes chaotic. Qualitatively, the spectral information obtained in this limit is in line with previous time-dependent mean-field results.

Ab initio calculations↗

NASA NTRS2023

Extending Aquatic Spectral Information with the First Radiometric IR-B Field Observations

Planetary radiometric observations enable remote sensing of biogeochemical parameters to describe spatiotemporal variability in aquatic ecosystems. For approximately the last half century, the science of aquatic radiometry has established a knowledge base using primarily, but not exclusively, visible wavelengths. Scientific subdisciplines supporting aquatic radiometry have evolved hardware, software, and procedures to maximize competency for exploiting visible wavelength information. This perspective culminates with the science requirement that visible spectral resolution must be continually increased to extract more information. Other sources of information, meanwhile, remain underexploited, particularly information from nonvisible wavelengths. Herein, absolute radiometry is used to evaluate spectral limits for deriving and exploiting aquatic data products, specifically the normalized water-leaving radiance, Γ(λ)⁠, and its derivative products. Radiometric observations presented herein are quality assured for individual wavebands, and spectral verification is conducted by analyzing celestial radiometric results, comparing agreement of above- and in-water observations at applicable wavelengths, and evaluating consistency with bio-optical models and optical theory. The results presented include the first absolute radiometric field observations of Γ(λ) within the IR-B spectral domain (i.e. spanning 1400–3000 nm), which indicate that IR-B signals confer greater and more variable flux than formerly ascribed. Black-pixel processing, a routine correction in satellite and in situ aquatic radiometry wherein a spectrum is offset corrected relative to a nonvisible waveband (often IR-B or a shorter legacy waveband) set to a null value, is shown to degrade aquatic spectra and derived biogeochemical parameters.

aquatic optics↗

NASA NTRS1985

Observations of ion cyclotron waves near synchronous orbit and on the ground

Ion cyclotron waves (ICWs) generated in the magnetosphere by the ion cyclotron instability of 10-100 keV protons are now known to be the origin of short-period (0.1-5 Hz) electromagnetic field oscillations observed by synchronous spacecraft and on the earth's surface. Observations of the various wave characteristics, including spectral and polarization properties, that lead to the identification of generation and propagation mechaniisms, and regions in the magnetosphere are described with reference to ATS-6, GEOS, and ground-based wave data and interpreted using cold plasma propagation theory. The presence of heavy ions (O/+/, He/+/) dramatically modifies ICW magnetospheric propagation characteristics giving rise to spectral slots and polarization reversals. These properties may be used in plasma diagnostics. Finally satellite-ground correlations and techniques for determining the magnetospheric source position of ICWs not seen at synchronous orbit but observed on the ground as structured Pc1 pulsations are considered.

Fraser, B. J.↗

DOE OSTI2020

Comparing event generator predictions and ab-initio calculations of $\nu$-$^{12}$C neutral current quasi-elastic scattering at 1 GeV

The measurement of neutrino oscillations and exotic physics searches are important parts of the physics program in the near future, with new state-of-the-art experiments planned within the next decade. Future and modern experiments in these fields will make use of nuclear targets. Event Generators (EGs) are software used in the analysis of neutrino oscillation experiments. EGs use to predict kinematic observables for a range of neutrino energies. These simulations may lack physics captured by more rigorous theoretical calculations. This work compares EG performance to nuclear theory calculations by comparing observables generated in the two frameworks. We provide a common set of definitions between theory and experiment and assess the physics contained in EG simulations. Neutral current quasi-elastic (NCQE) scattering events for neutrinos and anti-neutrinos on a $^{12}$C target are simulated with a specific EG, NEUT, used by the T2K experiment for its analysis. The simulated cross sections are compared to analytic calculations from nuclear theory within the factorization scheme. We compare the NEUT implementation of two different models on nuclear spectral functions: the Relativistic Fermi Gas (RFG) and the correlated basis spectral function (CBF) to analytic calculations of the same models in the factorization scheme. For both nuclear physics models, we compare the appearance of features in the distributions relevant to experimental analyses. Qualitatively, the shape of the simulated distribution is similar to the one obtained through theory calculations; however, there are some discrepancies between the theory calculations and the NEUT simulation. While the EG simulations and analytic calculations with the same model of nuclear dynamics show similar overall features, there are still differences between the two.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1995

A light-induced microwave oscillator

We describe a novel oscillator that converts continuous light energy into sta ble and spectrally pure microwave signals. This light-induced microwave oscillator (LIMO) consists of a pump laser and a feedback circuit, including an intensity modulator, an optical fiber delay line, a photodetector, an amplifier, and a filter. We develop a quasilinear theory and obtain expressions for the threshold condition, the amplitude, the frequency, the line width, and the spectral power density of the oscillation. We also present experimental data to compare with the theoretical results. Our findings indicate that the LIMO can generate ultrastable, spectrally pure microwave reference signals up to 75 GHz with a phase noise lower than -140 dBc/Hz at 10 kHz.

Yao, X. S.↗

DOE OSTI2020

Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction

In this study, we have extended our graphical processing unit (GPU)-accelerated direct configuration interaction program to multiple devices, reducing iteration times for configuration spaces of 165 million determinants to only 3 s using NVIDIA P100 GPUs. Similar improvements in the one- and two-particle reduced density matrix formation allow for fast analytical energy gradients and electronic properties. Our parallel algorithm enables the calculation of arbitrarily large configuration spaces (limited only by available system memory), with iteration times of 13 min for an active space of 18 electrons in 18 orbitals (2.4 billion determinants) using six consumer grade NVIDIA 1080Ti GPUs. These advances enable routine molecular dynamics simulations, geometry optimizations, and absorption spectrum calculations for molecules with large configuration spaces, a task that has heretofore required massive computational effort. In this work, we demonstrate the utility of our program by generating the absorption spectrum for diphenyl acetylene at the floating occupation molecular orbital complete active space configuration interaction level of theory. Lastly, several active spaces were investigated to assess the dependence of spectral features on orbital space dimension.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Deep reinforcement learning for complex evaluation of one-loop diagrams in quantum field theory

In this paper we present a technique based on deep reinforcement learning that allows for numerical analytic continuation of integrals that are often encountered in one-loop diagrams in quantum field theory. To extract certain quantities of two-point functions, such as spectral densities, mass poles or multiparticle thresholds, it is necessary to perform an analytic continuation of the correlator in question. At one-loop level in Euclidean space, this results in the necessity to deform the integration contour of the loop integral in the complex plane of the square of the loop momentum, to avoid nonanalyticities in the integration plane. Using a toy model for which an exact solution is known, we train a reinforcement learning agent to perform the required contour deformations. We report our study shows great promise for an agent to be deployed in iterative numerical approaches used to compute nonperturbative two-point functions, such as the quark propagator Dyson-Schwinger equation, or more generally, Fredholm equations of the second kind, in the complex domain.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗