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DOE OSTI2012

Physical mechanism and numerical simulation of the inception of the lightning upward leader

The upward leader is a key physical process of the leader progression model of lightning shielding. The inception mechanism and criterion of the upward leader need further understanding and clarification. Based on leader discharge theory, this paper proposes the critical electric field intensity of the stable upward leader (CEFISUL) and characterizes it by the valve electric field intensity on the conductor surface, E{sub L}, which is the basis of a new inception criterion for the upward leader. Through numerical simulation under various physical conditions, we verified that E{sub L} is mainly related to the conductor radius, and data fitting yields the mathematical expression of E{sub L}. We further establish a computational model for lightning shielding performance of the transmission lines based on the proposed CEFISUL criterion, which reproduces the shielding failure rate of typical UHV transmission lines. The model-based calculation results agree well with the statistical data from on-site operations, which show the effectiveness and validity of the CEFISUL criterion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Muon capture on the deuteron in chiral effective field theory

Here, we consider the capture of a muon on a deuteron. An uncertainty analysis of the dominant channels is important for a careful analysis of forthcoming experimental data. We quantify the theoretical uncertainties of chiral effective-field-theory predictions of the muon-deuteron capture rate from the relevant neutron-neutron partial wave channels in the final state. We study the dependence on the cutoff used to regularize the interactions, low-energy constants calibrated using different fitting data and strategies, and truncation of the effective-field-theory expansion of the currents. Combining these approaches gives as an estimate of $Γ^{1/2}_{μd}$ = 399.1 ± 7.6 ± 4.4 s –1 for capture from the atomic doublet state, and $Γ^{3/2}_{μd}$= 12.31 ± 0.47 ± 0.04 s –1 for capture from the quartet state and the first and second uncertainties given here are due to the effective field theory truncation error and the uncertainty in the axial radius, respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Elucidation of Marcus Relationships for Hydride Transfer Reactions Involving Transition Metal Hydrides

The rate of hydride transfer from three Ir hydride complexes of the type Cp*Ir( R bpy)H + (Cp* = C 5 Me 5 ; R bpy = 4,4′-R-2,2′-bipyridine, R = OMe, H, CO 2 Me) to six N-methylacridinium ( R Acr + ) acceptors with electronically different substituents in the 2- or 2,7-positions were measured. Using the thermodynamic hydricity of the donors and the hydride affinity of the acceptors the thermodynamic driving forces for hydride transfer were determined. Brønsted plots, which correlate kinetic and thermodynamic hydricity, demonstrate distinct linear free energy relationships for each complex, with different Brønsted α values. Thus, at the same driving force hydride transfer from Cp*Ir( OMe bpy)H + is faster than for Cp*Ir(bpy)H + or Cp*Ir( CO2Me bpy)H + . Experimental and computational analyses are consistent with a concerted hydride transfer mechanism for all Ir complexes. As the thermodynamic driving force increases an earlier transition state is observed and all transition states also include π-stacking interactions between the donor and acceptor, which likely contribute to the different α values. The experimental data fits well to the Marcus model, enabling the determination of reorganization energies (λ) that range from 58 to 69 kcal mol -1 . These are lower than λ values for hydride transfer reactions involving organic donors and acceptors. This work provides a rare example of the correlation of kinetic and thermodynamic hydricity using only experimental data and shows that hydride transfer reactions involving metal hydrides can follow Marcus theory. Furthermore, the findings offer insight into controlling metal-catalyzed hydride transfer reactions, which is valuable for designing improved systems for a range of transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Structure and magnetism of Sr{sub 3}NiSb{sub 2}O{sub 9}

The crystal structure of the perovskite-related oxide Sr{sub 3}NiSb{sub 2}O{sub 9} has been refined from X-ray and neutron powder diffraction data; space group P2{sub 1}/n, a=5.64381(2), b=5.62299(2), c=7.95687(3) Å, β=90.014(2)°. The structure has two crystallographically-distinct six-coordinate cation sites with occupancies Sb 0.97(1), Ni 0.03 and Sb 0.36, Ni 0.64. The magnetic susceptibility has been measured over the temperature range 2≤T/K≤300. Fitting data recorded in the temperature range 150<T/K<300 to the Curie–Weiss law resulted in µ{sub eff}=3.49(1) µ{sub B} per Ni{sup 2+}, θ=−138(1) K. Ferrimagnetic coupling in the vicinity of the antisite defects is suggested to be responsible for the enhanced susceptibility observed below ~90 K. The zero-field cooled susceptibility shows a maximum at 8.7 K that is not observed in the field-cooled susceptibility. Hysteresis is observed in M(H) at 2 K but not at 7.5 K. - Graphical abstract: Antisite defects on the B sites of perovskite-related Sr{sub 3}NiSb{sub 2}O{sub 9} lead to complex magnetic behaviour. - Highlights: • Sr{sub 3}NiSb{sub 2}O{sub 9} is a monoclinic perovskite. • The magnetic behaviour of Sr{sub 3}NiSb{sub 2}O{sub 9} at around 90 K can be attributed to antisite defects. • The magnetic behaviour of Sr{sub 3}NiSb{sub 2}O{sub 9} can be related to that of the relaxor ferromagnet La{sub 3}Ni{sub 2}SbO{sub 9}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2012

MEASURING MICROLENSING USING SPECTRA OF MULTIPLY LENSED QUASARS

We report on a program of spectroscopic observations of gravitationally lensed QSOs with multiple images. We seek to establish whether microlensing is occurring in each QSO image using only single-epoch observations. We calculate flux ratios for the cores of emission lines in image pairs to set a baseline for no microlensing. The offset of the continuum flux ratios relative to this baseline yields the microlensing magnification free from extinction, as extinction affects the continuum and the lines equally. When we find chromatic microlensing, we attempt to constrain the size of the QSO accretion disk. SDSSJ1004+4112 and HE1104-1805 show chromatic microlensing with amplitudes 0.2 < |{Delta}m| < 0.6 and 0.2 < |{Delta}m| < 0.4 mag, respectively. Modeling the accretion disk with a Gaussian source (I{proportional_to}exp (- R{sup 2}/2r{sup 2}{sub s})) of size r{sub s} {proportional_to}{lambda}{sup p} and using magnification maps to simulate microlensing, we find r{sub s} ({lambda}3363) = 7 {+-} 3 lt-day(18.1 {+-} 7.8 Multiplication-Sign 10{sup 15} cm) and p = 1.1 {+-} 0.4 for SDSS1004+4112, and r{sub s} ({lambda}3363) = 6 {+-} 2 lt-day(15.5 {+-} 5.2 Multiplication-Sign 10{sup 15} cm) and p = 0.7 {+-} 0.1 for HE1104-1805. For SDSSJ1029+2623, we find strong chromaticity of {approx}0.4 mag in the continuum flux ratio, which probably arises from microlensing, although not all the available data fit within this explanation. For Q0957+561, we measure B - A magnitude differences of 0.4 mag, much greater than the {approx}0.05 mag amplitude usually inferred from light-curve variability. It may substantially modify the current interpretations of microlensing in this system, likely favoring the hypothesis of smaller sources and/or larger microdeflectors. For HS0818+1227, our data yield possible evidence of microlensing.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1976

Transient excitation and data processing techniques employing the fast fourier transform for aeroelastic testing

The development of testing techniques useful in airplane ground resonance testing, wind tunnel aeroelastic model testing, and airplane flight flutter testing is presented. Included is the consideration of impulsive excitation, steady-state sinusoidal excitation, and random and pseudorandom excitation. Reasons for the selection of fast sine sweeps for transient excitation are given. The use of the fast fourier transform dynamic analyzer (HP-5451B) is presented, together with a curve fitting data process in the Laplace domain to experimentally evaluate values of generalized mass, model frequencies, dampings, and mode shapes. The effects of poor signal to noise ratios due to turbulence creating data variance are discussed. Data manipulation techniques used to overcome variance problems are also included. The experience is described that was gained by using these techniques since the early stages of the SST program. Data measured during 747 flight flutter tests, and SST, YC-14, and 727 empennage flutter model tests are included.

Jennings, W. P.↗

DOE OSTI2025

Polymer Size–Catalytic Activity Relationships in Solution by Fluorescence Correlation Spectroscopy

Measuring the catalytic activity of specific sizes of polymers with active catalysts in solution is typically challenging, due to limited instrument detection sensitivity and/or dynamic range. Here, a fluorescence correlation spectroscopy (FCS) method is developed to determine the catalytic activity of living polymers of a specific apparent size in solution. Deviation from a single-component FCS data fitting, as assessed by χ2, is also introduced and developed as a “speciation index”—a method to evaluate and track changes in the relative amount of distinct polymer sizes with reaction progress. These methods are enabled by incorporating a selectively reactive fluorescent monomer into growing polydicyclopentadiene or polynorbornene during ring-opening metathesis polymerization (ROMP). Compared to polynorbornene, data showed that catalysts in aggregates of polyDCPD retained higher activity for longer—outcomes not directly inferable from simple diffusional-access predictions. Here, the ability to assign catalytic activity to polymers of specific sizes, and then to determine how this activity evolves with reaction progress, support long-term goals in the development and measurement of nano-objects that possess size-dependent catalytic activity.

Active catalyst↗

NASA NTRS1995

Long term variability of the solar wind speed

We have reviewed the solar wind data obtained over a period of more than three decades. The data coverage on the Omnitape begins on 27 November 1963 and ends on 31 December 1993, for the version used by us. The coverage is very uneven, ranging from less than 40% to greater than 80%. We find that a correlation continues to exist between the measured values of the solar wind speed (V) and the geomagnetic index Ap. For the period when the coverage is greater than or equal to 85%, the data fit the equation: V (km/s) = 11.7 A(sub p) + 260. The correlation coefficient is 0.8, at a confidence level of 99.95%. However, we find that the predicted value of V may differ from the observed value by as much as 15% for a year in which the coverage is poorer. A comparison of IMP 8 with Pioneer Venus Orbiter (PVO) data indicates that the average values at the former are systematically higher by as much as 35 km/s (approximately 8%) for an overlapping time period. Also, we draw attention to the observed three solar cycle periodicity in A(sub p) data for the 1932 to 1994 period and its implications for forecasting the parameters for solar cycle 23 as well as on the computations of the modulation parameters for cosmic rays.

Gazis, P. R.↗

DOE OSTI2016

Effect of spin fluctuations on the resistivity of LaCrGe{sub 3}

Resistivity of LaCrGe{sub 3} at low temperatures and high magnetic fields is reported for fields upto 12 T. Spin fluctuations play an important role in this compound whose T{sub C} is 90 K. The normal state above T{sub C} is anomalous in the sense that a T{sup 1/2} term is to be added to the normal phonon contribution [ρ=ρ{sub 0}+aT+bT{sup 1/2}] to get a good fit, whose origin is debatable. Magnetoresistance (MR) vs. applied field H in PM region confirms the presence of strong spin fluctuations in this material. Effect of magnetic field on resistivity shows marked deviation below 170 K. Suppression of resistivity in field up to 12 T near T{sub C} is observed. A negative magnetoresistance (MR) is seen and is consistent with the ferromagnetic behavior. The resistivity data fitted below 80 K could be fitted with an equation ρ(H,T) = ρ{sub 0}(H) + B(H)*T{sup n} where n varies between 2.3 − 2.4, closed to n=2, signifying the presence of possible spin fluctuation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Fit-free optical determination of electronic thermalization time in nematic iron-based superconductors

We present a nematic response function model (NRFM) for fit-free direct extraction of the characteristic time of ultrafast electronic thermalization in iron-based superconductors, materials with electronic nematicity. By combining the NRFM for polarization-dependent pump–probe measurements of electronic nematic response with the two-temperature model (TTM) for sub-picosecond quasiparticle relaxation, we quantify the electronic thermalization timescales and their anisotropy. The nematic response function is modeled as the difference in normalized reflectivity signals, revealing a pronounced sub-picosecond extremum in signal evolution that directly yields the characteristic electronic thermalization time. This method demonstrates that the NRFM is consistent with TTM fits of transient optical response, yielding electronic thermalization time constants on the order of 110–230 fs for the FeSe 1−x Te x and Ba(Fe 0.92 Co 0.08 ) 2 As 2 thin films. Here, the proposed approach can be applied to any material that exhibits electronic nematicity, providing a powerful tool for direct mapping of the relaxation time in nematic materials, avoiding complex experimental data-fitting procedures.

Bartenev, Alexander [University of Puerto Rico, Ma↗

NASA NTRS1978

Geomagnetic pulsations observed simultaneously on three geostationary satellites

Simultaneous observations of magnetic pulsations have been made by three geostationary satellites carrying similar magnetometers and acting as an azimuthal array. Autospectral and cross-spectral analysis yields coherence and phase differences between the pulsations at the satellite positions. The majority of the data fit the Kelvin-Helmholtz generation mechanism. The azimuthal wave number changes sign near noon and corresponds to propagation away from noon. Usually, the wave number is less than 10 deg per degree of longitude. Later in the afternoon, however, strong pulsations are observed with low coherence, implying large wave numbers. This suggests an instability driven by a gradient in the intensity of energetic protons, which may be expected at this local time. The data also suggest that some of the observed phase difference between the azimuthal components is due to small separations in magnetic shell, whereas this is not the case for the radial components. This implies a localized field-line resonance.

Hughes, W. J.↗

DOE OSTI2018

Land surface model parameter optimisation using in situ flux data: comparison of gradient-based versus random search algorithms (a case study using ORCHIDEE v1.9.5.2)

Land surface models (LSMs), which form the land component of earth system models, rely on numerous processes for describing carbon, water and energy budgets, often associated with highly uncertain parameters. Data assimilation (DA) is a useful approach for optimising the most critical parameters in order to improve model accuracy and refine future climate predictions. In this study, we compare two different DA methods for optimising the parameters of seven plant functional types (PFTs) of the ORCHIDEE LSM using daily averaged eddy-covariance observations of net ecosystem exchange and latent heat flux at 78 sites across the globe. We perform a technical investigation of two classes of minimisation methods – local gradient-based (the L-BFGS-B algorithm, limited memory Broyden–Fletcher–Goldfarb–Shanno algorithm with bound constraints) and global random search (the genetic algorithm) – by evaluating their relative performance in terms of the model–data fit and the difference in retrieved parameter values. We examine the performance of each method for two cases: when optimising parameters at each site independently (“single-site” approach) and when simultaneously optimising the model at all sites for a given PFT using a common set of parameters (“multi-site” approach). We find that for the single site case the random search algorithm results in lower values of the cost function (i.e. lower model–data root mean square differences) than the gradient-based method; the difference between the two methods is smaller for the multi-site optimisation due to a smoothing of the cost function shape with a greater number of observations. The spread of the cost function, when performing the same tests with 16 random first-guess parameters, is much larger with the gradient-based method, due to the higher likelihood of being trapped in local minima. When using pseudo-observation tests, the genetic algorithm results in a closer approximation of the true posterior parameter value in the L-BFGS-B algorithm. We demonstrate the advantages and challenges of different DA techniques and provide some advice on using it for the LSM parameter optimisation.

58 GEOSCIENCES↗

NASA NTRS2014

Implementing Badhwar-O'Neill Galactic Cosmic Ray Model for the Analysis of Space Radiation Exposure

For the analysis of radiation risks to astronauts and planning exploratory space missions, accurate energy spectrum of galactic cosmic radiation (GCR) is necessary. Characterization of the ionizing radiation environment is challenging because the interplanetary plasma and radiation fields are modulated by solar disturbances and the radiation doses received by astronauts in interplanetary space are likewise influenced. A model of the Badhwar‐O'Neill 2011 (BO11) GCR environment, which is represented by GCR deceleration potential theta, has been derived by utilizing all of the GCR measurements from balloons, satellites, and the newer NASA Advanced Composition Explorer (ACE). In the BO11 model, the solar modulation level is derived from the mean international sunspot numbers with time‐delay, which has been calibrated with actual flight instrument measurements to produce better GCR flux data fit during solar minima. GCR fluxes provided by the BO11 model were compared with various spacecraft measurements at 1 AU, and further comparisons were made for the tissue equivalent proportional counters measurements at low Earth orbits using the high‐charge and energy transport (HZETRN) code and various GCR models. For the comparison of the absorbed dose and dose equivalent calculations with the measurements by Radiation Assessment Detector (RAD) at Gale crater on Mars, the intensities and energies of GCR entering the heliosphere were calculated by using the BO11 model, which accounts for time‐dependent attenuation of the local interstellar spectrum of each element. The BO11 model, which has emphasized for the last 24 solar minima, showed in relatively good agreement with the RAD data for the first 200 sols, but it was resulted in to be less well during near the solar maximum of solar cycle 24 due to subtleties in the changing heliospheric conditions. By performing the error analysis of the BO11 model and the optimization in reducing overall uncertainty, the resultant BO13 model corrects the fit at solar maxima as well as being accurate at solar minima. The BO13 model is implemented to the NASA Space Cancer Risk model for the assessment of radiation risks. Overall cumulative probability distribution of solar modulation parameters represents the percentile rank of the average interplanetary GCR environment, and the probabilistic radiation risks can be assessed for various levels of GCR environment to support mission design and operational planning for future manned space exploration missions.

Kim, Myung-Hee Y.↗

DOE OSTI2012

Formulation of the Multi-Hit Model With a Non-Poisson Distribution of Hits

Purpose: We proposed a formulation of the multi-hit single-target model in which the Poisson distribution of hits was replaced by a combination of two distributions: one for the number of particles entering the target and one for the number of hits a particle entering the target produces. Such an approach reflects the fact that radiation damage is a result of two different random processes: particle emission by a radiation source and interaction of particles with matter inside the target. Methods and Materials: Poisson distribution is well justified for the first of the two processes. The second distribution depends on how a hit is defined. To test our approach, we assumed that the second distribution was also a Poisson distribution. The two distributions combined resulted in a non-Poisson distribution. We tested the proposed model by comparing it with previously reported data for DNA single- and double-strand breaks induced by protons and electrons, for survival of a range of cell lines, and variation of the initial slopes of survival curves with radiation quality for heavy-ion beams. Results: Analysis of cell survival equations for this new model showed that they had realistic properties overall, such as the initial and high-dose slopes of survival curves, the shoulder, and relative biological effectiveness (RBE) In most cases tested, a better fit of survival curves was achieved with the new model than with the linear-quadratic model. The results also suggested that the proposed approach may extend the multi-hit model beyond its traditional role in analysis of survival curves to predicting effects of radiation quality and analysis of DNA strand breaks. Conclusions: Our model, although conceptually simple, performed well in all tests. The model was able to consistently fit data for both cell survival and DNA single- and double-strand breaks. It correctly predicted the dependence of radiation effects on parameters of radiation quality.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2014

Simulation of Statistical Fluctuations in the Spin Precession Measurements at RHIC

Measurements of the driven spin coherent precession S x (t)=S x (0) - S x (1) sin(ωt+φ 0 ) were initiated in RHIC Run13. The expected value of the precession amplitude S x (1) ~ 2 x 10 -4 is about the statistical error in a single measurement and data fit gives a biased estimate of the S x (1) . For a proper statistical interpretation of the results of the several measurements, statistical fluctuations were studied using Monte-Carlo simulation. Preliminary results of the spin precession measurements in RHIC Run13 are presented.

43 PARTICLE ACCELERATORS↗

NASA NTRS1987

Comparing the jerk with other global models of the geomagnetic field from 1960 to 1978

About 3300 satellite values of geomagnetic intensity and about 700 observatory values of annual mean magnetic vector components from 1960 to 1978 were fitted by three global models of the geomagnetic field B. Each model includes a spatially constant external field whose time dependence is a constant plus another constant times the Dst index, and each model accepts a time-independent station correction at each observatory. The time dependence of the internal Gauss coefficients is either cubic, quintic, or biquadratic (two independent quadratics, one before and one after January 1, 1970); and g1(0) also has an induced term proportional to the Dst index. The rms residual of the data fit is the same for the cubic and biquadratic models and insignificantly smaller for the quintic model. The quintic and biquadratic models have 1164 adjustable parameters, and the cubic has 1038. At a high level of significance the parameters of the best fitting biquadratic rule out a physical model for the magnetic impulse of 1969 in which the level surfaces of electrical conductivity in the lower mantle are approximately spherical, and the radial magnetic field at the core-mantle boundary goes from one quadratic time dependence to another in a year or less.

Backus, G. E.↗

NASA NTRS2009

90 GHz and 150 GHz Observations of the Orion M42 Region. A Submillimeter to Radio Analysis

We have used the new 90GHz MUSTANG camera on the Robert C. Green Bank Telescope (GBT)to map the bright Huygens region of the star-forming region M42 with a resolution of 9" and a sensitivity of 2.8 mJy/beam. Ninety GHz is an interesting transition frequency, as MUSTANG detects both the free-free emission characteristic of the H II region created by the Trapezium stars, normally seen at lower frequencies, and thermal dust emission from the background OMCI molecular cloud, normally mapped at higher frequencies. We also present similar data from the 150 GHz GISMO camera taken on the IRAM 30 m telescope. This map has 15" resolution. By combining the MUSTANG data with 1.4, 8. and 31 GHz radio data from the VLA and GBT, we derive a new estimate of the emission measure averaged electron temperature of T(sub e) = 11376+/-1050 K by an original method relating free-free emission intensities at optically thin and optically thick frequencies. Combining Infrared Space Observatory-long wavelength spectrometer (ISO-LWS) data with our data, we derive a new estimate of the dust temperature and spectral emissivity index within the 80" ISO-LWS beam toward Orion KL/BN, T(sub d) = 42+/-3 K and Beta(sub d) = 1.3+/-0.1. We show that both T(sub d) and Beta(sub d) decrease when going from the H II region and excited OMCI interface to the denser UV shielded part OMCI (Orion KL/BN, Orion S). With a model consisting of only free-free and thermal dust emission, we are able to fit data taken at frequencies from 1.5 GHz to 854 GHz (350 micrometers).

Dicker, S. R.↗

DOE OSTI2014

NDE reliability and probability of detection (POD) evolution and paradigm shift

The subject of NDE Reliability and POD has gone through multiple phases since its humble beginning in the late 1960s. This was followed by several programs including the important one nicknamed “Have Cracks – Will Travel” or in short “Have Cracks” by Lockheed Georgia Company for US Air Force during 1974–1978. This and other studies ultimately led to a series of developments in the field of reliability and POD starting from the introduction of fracture mechanics and Damaged Tolerant Design (DTD) to statistical framework by Bernes and Hovey in 1981 for POD estimation to MIL-STD HDBK 1823 (1999) and 1823A (2009). During the last decade, various groups and researchers have further studied the reliability and POD using Model Assisted POD (MAPOD), Simulation Assisted POD (SAPOD), and applying Bayesian Statistics. All and each of these developments had one objective, i.e., improving accuracy of life prediction in components that to a large extent depends on the reliability and capability of NDE methods. Therefore, it is essential to have a reliable detection and sizing of large flaws in components. Currently, POD is used for studying reliability and capability of NDE methods, though POD data offers no absolute truth regarding NDE reliability, i.e., system capability, effects of flaw morphology, and quantifying the human factors. Furthermore, reliability and POD have been reported alike in meaning but POD is not NDE reliability. POD is a subset of the reliability that consists of six phases: 1) samples selection using DOE, 2) NDE equipment setup and calibration, 3) System Measurement Evaluation (SME) including Gage Repeatability and Reproducibility (Gage R and R) and Analysis Of Variance (ANOVA), 4) NDE system capability and electronic and physical saturation, 5) acquiring and fitting data to a model, and data analysis, and 6) POD estimation. This paper provides an overview of all major POD milestones for the last several decades and discuss rationale for using Integrated Computational Materials Engineering (ICME), MAPOD, SAPOD, and Bayesian statistics for studying controllable and non-controllable variables including human factors for estimating POD. Another objective is to list gaps between “hoped for” versus validated or fielded failed hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗