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Results for “Path-integral methods”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Stable isotope equilibria in the dihydrogen-water-methane-ethane-propane system. Part 1: Path-integral calculations with CCSD(T) quality potentials

Isotopic compositions of alkanes are typically assumed to be kinetically controlled, but recently is has been proposed that alkanes can isotopically equilibrate for both C and H isotopes during natural gas generation. Evaluation of this requires knowledge of the isotopic equilibrium between alkanes and other common hydrogen and carbon bearing species. Here, in this study, we calculate isotopic equilibria within and between gaseous dihydrogen (H 2 ), water (H 2 O), methane (CH 4 ), ethane (C 2 H 6 ) and propane (C 3 H 8 ), including isotope fractionation among molecules, clumped isotope effects, as well as among sites of propane (i.e., the site-specific isotope effects) from 0°C to 500°C using a path-integral method paired with high-level descriptions of molecular potentials and the diagonal correction to the Born Oppenheimer approximation. While path-integral calculations with high- level CCSD(T) potentials are available for the isotopic equilibria involving methane, the path-integral calculations for ethane and propane have only been performed based on lower-level descriptions of the molecular potentials. We analyze the relative importance of various approximations that are commonly employed when isotopic equilibria are evaluated. We find that clumped isotope effects can be calculated to the same accuracy using computationally inexpensive combination of the Bigeleisen-Mayer-Urey model with the molecular potential from density functional theory. In contrast, fractionation and site preferences of both deuterium and carbon-13 benefit from the use of the higher level CCSD(T) potentials and accounting for anharmonic effects. Additionally, for fractionation and site preference of deuterium corrections to Born-Oppenheimer approximation can also be important.

03 NATURAL GAS↗
DOE OSTI2026

Nonequilibrium universality of the nonreciprocally coupled 𝑂⁡(𝑛 1 ) × 𝑂⁡(𝑛 2 ) model

Nonequilibrium dynamics play an important role in all contexts of physics, both classical and quantum as well as living and nonliving, so it is crucial to develop a foundational understanding of nonequilibrium phase transitions. In this work we investigate an important class of nonequilibrium dynamics in the form of nonreciprocal interactions. In particular we study how nonreciprocal coupling between two 𝑂⁡(𝑛𝑖) order parameters (with 𝑖 = 1,2) affects the universality at a multicritical point, extending the analysis of J. T. Young et al. [Phys. Rev. X 10, 011039 (2020)], which considered the case 𝑛 1 = 𝑛 2 = 1, i.e., a ℤ 2 × ℤ 2 model. We show that nonequilibrium fixed points (NEFPs) emerge for a broad range of 𝑛 1 ,𝑛 2 and exhibit intrinsically nonequilibrium critical phenomena, namely a violation of fluctuation-dissipation relations at all scales and underdamped oscillations near criticality in contrast to the overdamped relaxational dynamics of the corresponding equilibrium models. Furthermore, the NEFPs exhibit an emergent discrete scale invariance in certain physically relevant regimes of 𝑛 1 ,𝑛 2 , but not others, depending on whether the critical exponent 𝜈 is real or complex. The boundary between these two regions is described by an exceptional point in the renormalization group (RG) flow, leading to distinctive features in correlation functions and the phase diagram. Another contrast with the previous work is the number and stability of the NEFPs as well as the underlying topology of the RG flow. Lastly, we investigate an extreme form of nonreciprocity where one order parameter is independent of the other order parameter but not vice versa. Unlike the ℤ 2 × ℤ 2 model, which becomes nonperturbative in this case, we identify a distinct nonequilibrium universality class whose dependent field similarly violates fluctuation-dissipation relations but does not exhibit discrete scale invariance or underdamped oscillations near criticality.

Critical phenomena↗
DOE OSTI2024

Thermodynamic stability of a spin microemulsion in Rashba spin-orbit-coupled bosons

Recent finite-temperature numerical simulations have unveiled a quantum “spin” microemulsion analog, found by raising the temperature of a stripe supersolid phase in a Rashba spin-orbit coupled Bose gas. This microemulsion state is a highly correlated, isotropic normal fluid where atoms self-arrange based on their internal pseudospin into patterns that resemble bicontinuous microemulsions. This finding leaves several open questions regarding the broader accessibility of this phase in experiments. Here, we use equilibrium finite-temperature numerical simulations based on a coherent-state path integral representation to perform a computational investigation into the thermodynamic stability of the spin microemulsion state. Numerical simulations emphasize the requirement of a nearly, but not perfectly, isotropic spin-orbit coupling in order to achieve the microemulsion phase in cold-atom experiments. Moreover, the microemulsion state exists independent of miscibility of the pseudospin components and for a wide range of pseudospin population imbalance, suggesting a high degree of flexibility in choosing the atom and hyperfine states in an experimental realization. Lastly, we demonstrate this feasibility by mimicking a Rashba spin-orbit-coupled 87 Rb experiment in an isotropic harmonic trap, where we confirm the microemulsion's existence via its density profile and equilibrium quasimomentum distribution.

Complex Langevin dynamics↗
DOE OSTI2026

Wake-Resolving Acoustic Tomography: Advances through Numerical Covariance Methods

Acoustic tomography offers path-integrated measurements of atmospheric velocity and temperature fluctuations with high spatial resolution. Classical implementations of time-dependent stochastic inversion rely on homogeneous, isotropic covariance models that are poorly suited to the anisotropic structure of wind turbine wakes. By directly estimating heterogeneous covariances from large-eddy simulations (LESs) into the time-dependent stochastic inversion operator, we relax implicit assumptions in the analytical models used historically. Retrievals using these LES-informed models improve agreement with true fields in variance, turbulent kinetic energy, and spectral content compared to analytical and precursor-based covariance models. The results indicate that LES-informed covariance models can enhance the accuracy of acoustic tomography retrievals in complex, anisotropic flows such as wind turbine wakes in some cases and highlight instances where analytical models still offer competitive performance, despite their simplifying assumptions.

17 WIND ENERGY↗
NASA NTRS1984

Path-integrated growth of auroral kilometric radiation

Using Poeverlein's graphical method, three dimensional ray path calculations are performed to evaluate the path-integrated growth of auroral kilometric radiation (AKR). The ray tracing results indicate that waves whose initial wave vector lie in the local meridian plane continue to propagate in that plane and that among these waves, those with frequencies near the cutoff frequency (f sub R = 0) refract substantially, where as those with frequencies well above the cutoff frequency suffer little refraction. It is also shown that waves whose initial wave vector lie outside of the local meridian plane propagate in the longitudinal as well as the radial and the latitudinal directions. The refraction of these waves is also highly dependent upon the wave frequency, i.e., waves with frequencies near f sub R = 0 refract substantially, whereas waves with frequencies much above f sub R = 0 undergo little refraction. In order to test the electron cyclotron maser mechanisms as a method for generation of AKR, a typical electron distribution function measured in the auroral zone by the S3-3 satellite, is used to calculate path-integrated growths of representative rays. The results of this study indicate that electron distribution functions like those measured by the S3-3 satellite are not capable of amplifying cosmic noise background to the observed intensities of auroral kilometric radiation, and that much steeper slopes at the edges of the loss cone are required. The presence of such distribution functions in the auroral zone is plausible if one assumes that backscattered electrons in this region have energies less than a few hundred eV.

Omidi, N.↗
NASA NTRS1991

Estimation of raindrop size distribution parameters from a dual-parameter spaceborne radar measurement

A method to estimate raindrop size distribution (DSD) parameters from a combined Zm profile and path-integrated attenuation is shown, and a test result of the method using the data from an aircraft experiment is presented. The 'semi' dual-parameter (SDP) measurement is employed to estimate DSD parameters using the data obtained from an aircraft experiment conducted by Communications Research Laboratory, Tokyo, in conjunction with NASA. The validity of estimated DSD parameters is examined using measured Ka-band radar reflectivities. The estimated path-averaged N(0) is consistent with the Ka/X Ze ratio, and the use of estimated DSD shows excellent agreement between the rain rates estimated from the X-band and K-band Zes. The feasibility of estimating DSD parameters from space is confirmed.

Kozu, Toshiaki↗
NASA NTRS2002

Theoretical Studies of Liquid He-4 Near the Superfluid Transition

We performed theoretical studies of liquid helium by applying state of the art simulation and finite-size scaling techniques. We calculated universal scaling functions for the specific heat and superfluid density for various confining geometries relevant for experiments such as the confined helium experiment and other ground based studies. We also studied microscopically how the substrate imposes a boundary condition on the superfluid order parameter as the superfluid film grows layer by layer. Using path-integral Monte Carlo, a quantum Monte Carlo simulation method, we investigated the rich phase diagram of helium monolayer, bilayer and multilayer on a substrate such as graphite. We find excellent agreement with the experimental results using no free parameters. Finally, we carried out preliminary calculations of transport coefficients such as the thermal conductivity for bulk or confined helium systems and of their scaling properties. All our studies provide theoretical support for various experimental studies in microgravity.

Manousakis, Efstratios↗
DOE OSTI2026

Path-integral predictions for preasymptotic quantum tunneling

When tunneling occurs out of generic initial states, a significant fraction of probability is lost at early times, during which the dynamics is governed by excited resonance states. However, first-principles analyses based on path-integrals have only captured the leading asymptotic behavior, during which the tunneling rate is dominated by the false vacuum contribution. In this work, we discuss the behavior in the preasymptotic regime from a first-principles path-integral perspective. We demonstrate how the relevant expressions can be evaluated systematically through semiclassical methods in the recently developed steadyon picture. This approach allows one to trace the role of the relevant physical scales, making transparent the underlying assumptions and approximations, and offering a clear path to establishing a systematically improvable framework to evaluate tunneling rates nonperturbatively.

Lin, Joshua↗
NASA NTRS1991

Dual-parameter radar rainfall measurement from space - A test result from an aircraft experiment

An aircraft experiment has been conducted with a dual-frequency (X/Ka-bands) radar to test various rainfall retrieval methods from space. The authors test a method to derive raindrop size distribution (DSD) parameters from the combination of a radar reflectivity profile and a path-integrated attenuation derived from surface return, which may be available from most spaceborne radars. The estimated DSD parameters are reasonable in that the values generally fall within the range of commonly measured ones and that shifts in DSD parameters appear to be correlated with changes in storm type. The validity of the estimation result is also demonstrated by a consistency check using the Ka-band reflectivity profile which is independent of the DSD estimation process. Although errors may occur in the cases of nonuniform beam filling, these test results indicate the feasibility of the dual-parameter radar measurement from space in achieving a better accuracy in quantitative rainfall remote measurements.

Kozu, Toshiaki↗
NASA NTRS2003

Fan Beam Emission Tomography for Estimating Scalar Properties in Laminar Flames

A new method of estimating temperatures and gas species concentrations (CO2 and H2O) in a laminar flame is reported. The path-integrated, spectral radiation intensities emitted from a laminar flame at multiple wavelengths and view angles are calculated using a narrow band radiation model. Synthetic data, in the form of radial profiles of temperature and gas concentrations, are used in these calculations. The calculations mimic measurements that would theoretically be obtained using a mid-infrared spectrometer with a scanner. The path integrated spectral radiation intensities are deconvoluted using a maximum likelihood estimation method in conjunction with an iterative scheme. The deconvolution algorithm accounts for the self-absorption of radiation by the intervening gases, and provides the local temperature and gas species concentrations. The deconvoluted temperatures and gas concentrations are compared with the synthetic data used for calculating the spectral radiation intensities. The deconvoluted temperatures and gas species concentrations are within 0.5 % of the synthetic data. The deconvolution algorithm is expected to provide combustion researchers with an easy method of obtaining the radial profiles of major gas species concentrations and temperatures in laminar flames non-intrusively using a mid-infrared spectrometer with a scanner.

Lim, Jongmook↗
DOE OSTI2024

Proton radiography inversions with source extraction and comparison to mesh methods

In this article, proton radiography is a central diagnostic technique for measuring electromagnetic (EM) fields in high-energy-density, laser-produced plasmas. In this technique, protons traverse the plasma where they accumulate small EM deflections which lead to variations in the proton fluence pattern on a detector. Path-integrated EM fields can then be extracted from the fluence image through an inversion process. In this work, experiments of laser-driven foils were conducted on the OMEGA laser and magnetic field reconstructions were performed using both “fluence-based” techniques and high-fidelity “mesh-based” methods. We implement nonzero boundary conditions into the inversion and show their importance by comparing against mesh measurements. Good agreement between the methods is found only when nonzero boundary conditions are used. We also introduce an approach to determine the unperturbed proton source profile, which is a required input in fluence reconstruction algorithms. In this approach, a fluence inversion is embedded inside of a mesh region, which provides overconstrained magnetic boundary conditions. A source profile is then iteratively optimized to satisfy the boundary information. This method substantially enhances the accuracy in recovering EM fields. Lastly, we propose a scheme to quantify uncertainty in the final inversion that is introduced through errors in the source retrieval.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2002

Ground Radar Polarimetric Observations of High-Frequency Earth-Space Communication Links

Strategic roadmaps for NASA's Human Exploration and Development of Space (REDS) enterprise support near-term high-frequency communication systems that provide moderate to high data rates with dependable service. Near-earth and human planetary exploration will baseline Ka-Band, but may ultimately require the use of even higher frequencies. Increased commercial demand on low-frequency earth-space bands has also led to increased interest in the use of higher frequencies in regions like K u - and K,- band. Data is taken from the Tropical Rainfall Measuring Mission (TRMM) Precipitation Radar (PR), which operates at 13.8 GHz, and the true radar reflectivity profile is determined along the PR beam via low-frequency ground based polarimetric observations. The specific differential phase (Kdp) is measured along the beam and a theoretical model is used to determine the expected specific attenuation (k). This technique, called the k-Kdp method, uses a Fuzzy-Logic model to determine the hydrometeor type along the PR beam from which the appropriate k-Kdp relationship is used to determine k and, ultimately, the total path-integrated attenuation (PIA) on PR measurements. Measurements from PR and the NCAR S-POL radar were made during the TEFLUN-B experiment that took place near Melbourne, FL in 1998, and the TRMM-LBA campaign near Ji-Parana, Brazil in 1999.

Bolen, Steve↗
NASA NTRS1984

Measurement of temperature and density fluctuations in turbulence using an ultraviolet laser

Noninvasive measurement of density and temperature fluctuations in turbulent air flow was examined. The approach used fluorescence of oxygen molecules which are selectively excited by a tunable vacuum ultraviolet laser beam. The strength of the fluorescence signal and its dependence on laser wavelength vary with the density and temperature of the air in the laser beam. Because fluorescence can be detected at 90 degrees from the beam propagation direction, spatial resolution in three dimensions, rather than path-integrated measurements can be achieved. With spatial resolutions of the order of a millimeter and at supersonic air velocities it is necessary to perform each measurement in a time of the order of a microsecond; this is possible by by using laser pulses of ten nanosecond duration. In this method atmospheric O2 is excited by the emission of a tunable ArF excimer laser, and the fluorescence, which spans the 210 to 420 range, is detected by an ultraviolet phototube.

Massey, G. A.↗
NASA NTRS2003

Effects of Uncertainty in TRMM Precipitation Radar Path Integrated Attenuation on Interannual Variations of Tropical Oceanic Rainfall

Considerable uncertainty surrounds the issue of whether precipitation over the tropical oceans (30 deg N/S) systematically changes with interannual sea-surface temperature (SST) anomalies that accompany El Nino (warm) and La Nina (cold) events. Time series of rainfall estimates from the Tropical Rainfall Measuring Mission (TRMM) Precipitation Radar (PR) over the tropical oceans show marked differences with estimates from two TRMM Microwave Imager (TMI) passive microwave algorithms. We show that path-integrated attenuation derived from the effects of precipitation on the radar return from the ocean surface exhibits interannual variability that agrees closely with the TMI time series. Our analysis of discrepancies between the PR rainfall and attenuation suggests that uncertainty in the assumed drop size distribution and associated attenuation/reflectivity/rainfall relationships inherent in single-frequency radar methods is a serious issue for studies of interannual variability.

Robertson, Franklin R.↗
NASA NTRS2002

Estimation of High-Frequency Earth-Space Radio Wave Signals via Ground-Based Polarimetric Radar Observations

Expanding human presence in space, and enabling the commercialization of this frontier, is part of the strategic goals for NASA's Human Exploration and Development of Space (HEDS) enterprise. Future near-Earth and planetary missions will support the use of high-frequency Earth-space communication systems. Additionally, increased commercial demand on low-frequency Earth-space links in the S- and C-band spectra have led to increased interest in the use of higher frequencies in regions like Ku and Ka-band. Attenuation of high-frequency signals, due to a precipitating medium, can be quite severe and can cause considerable disruptions in a communications link that traverses such a medium. Previously, ground radar measurements were made along the Earth-space path and compared to satellite beacon data that was transmitted to a ground station. In this paper, quantitative estimation of the attenuation along the propagation path is made via inter-comparisons of radar data taken from the Tropical Rainfall Measuring Mission (TRMM) Precipitation Radar (PR) and ground-based polarimetric radar observations. Theoretical relationships between the expected specific attenuation (k) of spaceborne measurements with ground-based measurements of reflectivity (Zh) and differential propagation phase shift (Kdp) are developed for various hydrometeors that could be present along the propagation path, which are used to estimate the two-way path-integrated attenuation (PIA) on the PR return echo. Resolution volume matching and alignment of the radar systems is performed, and a direct comparison of PR return echo with ground radar attenuation estimates is made directly on a beam-by-beam basis. The technique is validated using data collected from the TExas and Florida UNderflights (TEFLUN-B) experiment and the TRMM large Biosphere-Atmosphere experiment in Amazonia (LBA) campaign. Attenuation estimation derived from this method can be used for strategiC planning of communication systems for future HEDS missions.

Bolen, Steve↗
NASA NTRS2015

An Initial Assessment of the Surface Reference Technique Applied to Data from the Dual-Frequency Precipitation Radar (DPR) on the GPM Satellite

It has long been recognized that path-integrated attenuation (PIA) can be used to improve precipitation estimates from high-frequency weather radar data. One approach that provides an estimate of this quantity from airborne or spaceborne radar data is the surface reference technique (SRT), which uses measurements of the surface cross section in the presence and absence of precipitation. Measurements from the dual-frequency precipitation radar (DPR) on the Global Precipitation Measurement (GPM) satellite afford the first opportunity to test the method for spaceborne radar data at Ka band as well as for the Ku-band-Ka-band combination. The study begins by reviewing the basis of the single- and dual-frequency SRT. As the performance of the method is closely tied to the behavior of the normalized radar cross section (NRCS or sigma(0)) of the surface, the statistics of sigma(0) derived from DPR measurements are given as a function of incidence angle and frequency for ocean and land backgrounds over a 1-month period. Several independent estimates of the PIA, formed by means of different surface reference datasets, can be used to test the consistency of the method since, in the absence of error, the estimates should be identical. Along with theoretical considerations, the comparisons provide an initial assessment of the performance of the single- and dual-frequency SRT for the DPR. The study finds that the dual-frequency SRT can provide improvement in the accuracy of path attenuation estimates relative to the single-frequency method, particularly at Ku band.

space-borne weather radars↗
NASA NTRS1983

Measurements on a shock wave generated by a solar flare

It is shown that path-integrated radio-scattering measurements of the solar wind velocity yield higher estimates than those of point measurements. The post-shock speed is determined from radio scattering measurements by selection of the maximum of the radio-scattering deduced from the velocity-time curve, whereas velocity points on the rising edge of the shock underestimate the post-shock gas velocity, and therefore the shock speed. However, it is suggested that large uncertainties reside in using radio techniques for measurements of parameters of the shock wave, and the uncertainties may be large enough to encompass the lower velocity values calculated by a point method of measurement.

Woo, R.↗
NASA NTRS2006

The Potential of Water Vapor & Precipitation Estimation with a Differential-frequency Radar

In the presence of rain, the radar return powers from a three-frequency radar, with center frequency at 22.235 GHz and upper and lower frequencies chosen with equal water vapor absorption coefficients, can be used to estimate water vapor density and parameters of the precipitation. A linear combination of differential measurements between the center and lower frequencies on one hand and the upper and lower frequencies on the other provide an estimate of differential water vapor absorption. Conversely, the difference in radar reflectivity factors (in dB) between the upper and lower frequencies is independent of water vapor absorption and can be used to estimate the median mass diameter of the hydrometeors. For a down-looking radar, path-integrated estimates of water vapor absorption may be possible under rain-free as well as raining conditions by using the surface returns at the three frequencies. Cross-talk or interference between the precipitation and water vapor estimates depends on the frequency separation of the channels as well as on the phase state and the median mass diameter of the hydrometeors. Simulations of the retrieval of water vapor absorption show that the largest source of variability arises from the variance in the measured radar return powers while the largest biases occur in the mixed-phase region. Use of high pulse repetition frequencies and signal whitening methods may be needed to obtain the large number of independent samples required. Measurements over a fractional bandwidth, defined as the ratio of the difference between the upper and lower frequencies to the center frequency, up to about 0.2 should be passible in a differential frequency mode, where a single transceiver and antenna are used. Difficulties in frequency allocation may require alternative choices of frequency where the water vapor absorptions at the low and high frequencies are unequal. We consider the degradation in the retrieval accuracy when the frequencies are not optimum.

Meneghini, Robert↗