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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Hunting for vectorlike quarks

We analyze decays of vectorlike quarks in extensions of the standard model and a two Higgs doublet model. We identify several typical patterns of branching ratios of the lightest new up-type quark, t 4 , and down-type quark, b 4 , depending on the structure of Yukawa couplings that mix the vectorlike and standard model quarks (we assume only mixing with the third generation) and also on their doublet or singlet nature. We find that decays into heavy neutral or charged Higgs bosons, when kinematically open, can easily dominate and even be close to 100%: b 4 → Hb at medium to large tan β , t 4 → Ht at small tan β and b 4 → H ± t , t 4 → H ± b at both large and small tan β . The pair production of vectorlike quarks leads to 6 t , 4 t 2 b , 2 t 4 b and 6 b final states. The decay modes into W , Z and h follow the pattern expected from the Goldstone boson equivalence limit that we generalize to scenarios with all possible couplings. We also discuss in detail the structure of Yukawa couplings required to significantly deviate from the pattern characteristic of the Goldstone boson equivalence limit that can result in essentially arbitrary branching ratios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Assessing the thermal maturity of black shales using vitrinite reflectance: Insights from Devonian black shales in the eastern United States

Thermal maturity of source rocks indicated by vitrinite reflectance (R o ) is an important and reliable parameter to determine the petroleum potential of sedimentary basins. Originally, R o was used to characterize the degree of coalification of coals and thus works well for coal seams, but it has limitations when used to determine the thermal maturity of black shale successions. A suite of six coal-shale pairs from the Upper Devonian black shale formations in the eastern United States (New Albany Shale, Ohio Shale, Dunkirk Shale, and Rhinestreet Shale) was selected to study the applicability of R o in assessing the thermal maturity of black shale successions. The results show that vitrinite in the studied coal samples is dominated by collotelinite, whereas vitrinite in black shales occurs as small dispersed particles (~5 μm) in the mineral matrix. When comparing the size and morphology of dispersed vitrinite particles in shales and collotelinite fragments in coals, vitrinite in shales and adjacent coals should have the same origin. The measured mean random R o of vitrinite in coals ranges from 0.51–0.68%, and is 0.04–0.11% (average 0.07%) lower than that of dispersed vitrinite particles in enclosing shales. This observation contrasts with previously reported R o suppression in liptinite-rich black shales. A high standard deviation of R o measurements indicates a highly heterogeneous nature of vitrinite in black shales. Three mechanisms can be envisioned to contribute to the higher R o of dispersed vitrinite particles in black shales relative to enclosed coals. First, small vitrinite particles may become more oxidized because small particles are more frequently suspended during transport to the site of deposition and reworking of bottom sediments after deposition than large pieces of driftwood that will turn into enclosed coal lenses during burial diagenesis. Second, misidentification of zooclast (e.g., chitinozoan) fragments as vitrinite due to loss of diagnostic morphology. Third, various macerals in the vitrinite group (e.g., corpogelinite and collotelinite) may have had different original reflectance values. Based on the petrographic characteristics of vitrinite and vitrinite-like particles, caution should be applied when using the R o values of dispersed vitrinite and vitrinite-like particles in black shales as indicators of thermal maturity.

58 GEOSCIENCES↗
DOE OSTI2022

Revealing the short-range structure of the mirror nuclei 3 H and 3 He

When protons and neutrons (nucleons) are bound into atomic nuclei, they are close enough to feel significant attraction, or repulsion, from the strong, short-distance part of the nucleon-nucleon interaction. These strong interactions lead to hard collisions between nucleons, generating pairs of highly energetic nucleons referred to as short-range correlations (SRCs). SRCs are an important but relatively poorly understood part of nuclear structure, and mapping out the strength and the isospin structure (neutron-proton (np) versus proton-proton (pp) pairs) of these virtual excitations is thus critical input for modelling a range of nuclear, particle and astrophysics measurements. Two-nucleon knockout or 'triple coincidence' reactions have been used to measure the relative contribution of np-SRCs and pp-SRCs by knocking out a proton from the SRC and detecting its partner nucleon (proton or neutron). These measurements have shown that SRCs are almost exclusively np pairs, but they had limited statistics and required large model-dependent final-state interaction corrections. Here we report on measurements using inclusive scattering from the mirror nuclei hydrogen-3 and helium-3 to extract the np/pp ratio of SRCs in systems with a mass number of three. In this work we obtain a measure of the np/pp SRC ratio that is an order of magnitude more precise than previous experiments, and find a marked deviation from the near-total np dominance observed in heavy nuclei. This result implies an unexpected structure in the high-momentum wavefunction for hydrogen-3 and helium-3. Understanding these results will improve our understanding of the short-range part of the nucleon-nucleon interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Computational investigations of Dienes defect- and vacancy-induced changes in the electronic and vibrational properties of carbon fiber structural units

Carbon fiber (CF) is a promising lightweight alternative to steel and is of significant interest for energy applications. As CF continues to find new uses and is exposed to new external conditions, a noninvasive method of monitoring its structural integrity is critical. Raman spectroscopy is a commonly used method for this monitoring; however, it is highly inferential, and the interpretation of the data is not always straightforward. In this work, we perform density functional theory (DFT) calculations to investigate changes in the vibrational properties of CF structural units (i.e., graphene and graphite) caused by monovacancy and Dienes defects as a foundation for modeling more complex defects that move our model toward that of realistic CF. Using large computational supercells, we can understand how these defects change the electronic structure and vibrational properties of graphene and graphite for interdefect distances near those of the lower experimental limit. The monovacancy opens an electronic bandgap at the K point. Although no such electronic gap is opened by the Dienes defect, both defects introduce flat defect bands near the Fermi energy. The Dienes defect creates long-range deviations of the phonons, leading to substantial broadening of the highest frequency optical modes in the band structure compared to that of the pristine material. In contrast, the phonon changes caused by the monovacancy are short range, and only minor changes in the band structure or phonon density of states were observed. These findings can assist in the interpretation of experimental results by providing atomic-scale insight into key electronic and vibrational features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Communication: Spectroscopic characterization of a strongly interacting C (2) H group on the EMIM + cation in the (EMIM + ) 2 X - (X = BF 4 , Cl, Br, and I) ternary building blocks of ionic liquids

Here, to unravel the intermolecular interactions at play in the assemblies of EMIM-based ionic liquids, we report the vibrational spectra of the cryogenically cooled, cationic ternary complexes with halide ions, (EMIM + ) 2 X - , X = Cl, Br, and I. This series specifically addresses the spectral response of the acidic C (2) H group upon complexation with an atomic anion, which is isolated by selective deuteration at this position. Unlike the behavior of the related BF4- complex, the halide systems display large (~175 cm -1 ) red-shifts and dramatic (~30X) intensity enhancements in the C (2) D stretch (relative to that of the bare d (2) -EMIM + cation), which are largest for the chloride anion. Lastly, electronic structure calculations indicate that, while the spectroscopic signatures of the interaction follow those expected for a traditional hydrogen bond to the C (2) H group, the C–H–X docking arrangement deviates substantially from linearity due to a “double contact” motif involving a weaker interaction to the nearby methyl group [Hunt et al., Chem. Soc. Rev. 44(5), 1257–1288 (2015)].

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Local and global approaches to treat the torsional barriers of 4-methylacetophenone using microwave spectroscopy

The Fourier transform microwave spectrum of 4-methylacetophenone recorded from 8 GHz to 18 GHz under jet-cooled conditions has revealed large tunneling splittings arising from a low barrier to internal rotation of the ring methyl group and small splittings from a high torsional barrier of the acetyl methyl group. The large splittings are especially challenging to model, while the small splittings are difficult to analyze due to the resolution limit of 120 kHz. The combination of two methyl groups undergoing internal rotations caused each rotational transition to split into five torsional species, which were resolved and fitted using a modified version of the XIAM code and the newly devel- oped ntop code to a root-mean-square deviation close to measurement accuracy, providing an estimate of the V 3 potential barriers of about 22 cm -1 and 584–588 cm -1 for the ring and the acetyl methyl groups, respectively. The assignment was aided by separately fitting the five torsional species using odd-power order operators. Only one conformer in which all heavy atoms are located on a symmetry plane could be identified in the spectrum, in agreement with results from conformation analysis using quantum chemical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Erratum: First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces [Phys. Rev. Lett. 113, 176802 (2014)]

We note, while extending our approach in our Letter to calculate energy level alignment at aqueous TiO 2 interfaces, we discovered two problems with our application of the GW methodology. Briefly, in our approach, we used a DFT + U approach for the underlying structure determination and as an input to the GW calculations. Then, GW calculations were carried out at the full-frequency spectrum-self-consistent level. All calculations were performed with the projector augmented wave (PAW) method as it is implemented in VASP. The specific semiconductors considered were GaN and ZnO. The first problem was caused by improper handling of the U parameter when initializing the follow-up GW calculations, leading to a final calculated band gap for GaN and ZnO that was too large. Second, we used an older set of pseudopotentials for the PAW method. In a paper that was published while our original manuscript was under review, the impact of the completeness of the partial waves representing empty states in the PAW method was analyzed, showing significant issues with the convergence of the GW results for certain materials, particularly ZnO. Specifically, those issues included use of PAW pseudopotentials that deviate too much from norm conservation, an unduly restricted basis set size that constrains the number of empty states available, and use of a small cutoff for the dielectric matrix size that can result in a false convergence with respect to the number of empty states included. Our GW calculations for GaN and ZnO were affected by these problems.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Rain attenuation measurements: Variability and data quality assessment

Year to year variations in the cumulative distributions of rain rate or rain attenuation are evident in any of the published measurements for a single propagation path that span a period of several years of observation. These variations must be described by models for the prediction of rain attenuation statistics. Now that a large measurement data base has been assembled by the International Radio Consultative Committee, the information needed to assess variability is available. On the basis of 252 sample cumulative distribution functions for the occurrence of attenuation by rain, the expected year to year variation in attenuation at a fixed probability level in the 0.1 to 0.001 percent of a year range is estimated to be 27 percent. The expected deviation from an attenuation model prediction for a single year of observations is estimated to exceed 33 percent when any of the available global rain climate model are employed to estimate the rain rate statistics. The probability distribution for the variation in attenuation or rain rate at a fixed fraction of a year is lognormal. The lognormal behavior of the variate was used to compile the statistics for variability.

Crane, Robert K.↗
NASA NTRS1994

Kinetic Alfven waves as a source of plasma transport at the dayside magnetopause

As the shocked solar wind with variable plasma density and magnetic field impinges on the dayside magnetopause, it is likely to generate large-scale Alfven waves at the solar wind magnetosphere interface. However, large gradients in the density and magnetic field at the magnetopause boundary effectively couple large-scale Alfven waves with kinetic Alfven waves may play an important role in plasma transport at the dayside magnetopause and in electron acceleration along field lines. The transport can occur because, unlike the magnetohydrodynamic (MHD) shear Alfven wave, the kinetic Alfven wave has an associated parallel electric field which breaks down the 'frozen-in' condition and decouples the plasma from field lines. We calculate the average deviation of the plasma from the field line from which we estimate the diffusion coefficient associated with these 'bundles' of lead to acceleration of electrons along field lines in the magnetopause boundary and may possibly provide an explanation for observed counterstreaming electron beams characterized by energies of 50-200 eV.

Lee, L. C.↗
NASA NTRS1998

Influence of Subpixel Scale Cloud Top Structure on Reflectances from Overcast Stratiform Cloud Layers

Recent observational studies have shown that satellite retrievals of cloud optical depth based on plane-parallel model theory suffer from systematic biases that depend on viewing geometry, even when observations are restricted to overcast marine stratus layers, arguably the closest to plane parallel in nature. At moderate to low sun elevations, the plane-parallel model significantly overestimates the reflectance dependence on view angle in the forward-scattering direction but shows a similar dependence in the backscattering direction. Theoretical simulations are performed that show that the likely cause for this discrepancy is because the plane-parallel model assumption does not account for subpixel, scale variations in cloud-top height (i.e., "cloud bumps"). Monte Carlo simulation, comparing ID model radiances to radiances from overcast cloud field with 1) cloud-top height variation, but constant cloud volume extinction; 2) flat tops but horizontal variations in cloud volume extinction; and 3) variations in both cloud top height and cloud extinction are performed over a approximately equal to 4 km x 4 km domain (roughly the size of an individual GAC AVHRR pixel). The comparisons show that when cloud-top height variations are included, departures from 1D theory are remarkably similar (qualitatively) to those obtained observationally. In contrast, when clouds are assumed flat and only cloud extinction is variable, reflectance differences are much smaller and do not show any view-angle dependence. When both cloud-top height and cloud extinction variations are included, however, large increases in cloud extinction variability can enhance reflectance difference. The reason 3D-1D reflectance differences are more sensitive to cloud-top height variations in the forward-scattering direction (at moderate to low, sun elevations) is because photons leaving the cloud field in that direction experience fewer scattering events (low-order scattering) and are restricted to the topmost portions of the cloud. While reflectance deviations from 1D theory are much larger for bumpy clouds than for flat clouds with variable cloud extinction, differences in cloud albedo are comparable for these two cases.

Loeb, N. G.↗
NASA NTRS1999

Electric Field Double Probe Measurements on Satellites with Very Low Perigees

Measurements of DC and AC electric Fields at low altitudes (less than 150 km) in the Earth's ionosphere address a wide array of important scientific questions including Joule Heating, the closure of field aligned currents, and the deviation of E x B electron velocities from ion velocity vectors influenced by collisions. Double probes represent a well-proven technique for gathering high quality DC and AC electric field measurements for which the design of the boom system is of critical importance for the success of the experiment. In general, ionospheric DC electric field instruments that achieve accuracies of 0.1 mV/m or better, place sensors at large distances from the spacecraft body in order to extend well beyond the spacecraft wake and sheath and to achieve the large signal-to-noise ratios for DC and long wavelength measurements. Additional sets of sensors inboard of the primary, outermost sensors provide useful additional information, both for diagnostics of the plasma contact potentials, which particularly enhance the DC electric field measurements on non-spinning spacecraft, and for wavelength and phase velocity measurements that use the spaced receiver or "Interferometer" technique. Accurate attitude knowledge enables V x B contributions to be subtracted from the measured potentials, and permits the measured components to be rotated into meaningful geophysical reference frames. This presentation discusses the expected performance of electric field double probe experiments and their boom mechanisms on both spinning and non-spinning satellite platforms with very low perigees. Careful selection of probe surface materials, such as titanium nitride, for the low perigee environment, as well as thermal considerations are also discussed.

Pfaff, R. F., Jr.↗
NASA NTRS2011

Observational and Numerical Diagnostics of Galaxy Cluster Outer Regions

Aims. We present the analysis of a local (z = 0.04 - 0.2) sample of 31 galaxy clusters with the aim of measuring the density of the X-ray emitting gas in cluster outskirts. We compare our results with numerical simulations to set constraints on the azimuthal symmetry and gas clumping in the outer regions of galaxy clusters. Methods. We exploit the large field-of-view and low instrumental background of ROSAT/PSPC to trace the density of the intracluster gas out to the virial radius. We perform a stacking of the density profiles to detect a signal beyond r(sub 200) and measure the typical density and scatter in cluster outskirts. We also compute the azimuthal scatter of the profiles with respect to the mean value to look for deviations from spherical symmetry. Finally, we compare our average density and scatter profiles with the results of numerical simulations. Results. As opposed to several recent results, we observe a steepening of the density profiles beyond approximately 0.3r(sub 500). Comparing our density profiles with simulations, we find that non-radiative runs predict too steep density profiles, whereas runs including additional physics and/or gas clumping are in better agreement with the observed gas distribution. We note a systematic difference between cool-core and non-cool core clusters beyond approximately 0.3r(sub 200), which we explain by a different distribution of the gas in the two classes. Beyond approximately r(sub 500), galaxy clusters deviate significantly from spherical symmetry, with only little differences between relaxed and disturbed systems. We find good agreement between the observed and predicted scatter profiles, but only when the 1% densest clumps are filtered out in the simulations. Conclusions. The general trend of steepening density around the virial radius indicates that the shallow density profiles found in several recent works were probably obtained along particular directions (e.g., filaments) and are not representative of the typical behavior of clusters. Comparing our results with numerical simulations, we find that non-radiative simulations fail to reproduce the gas distribution, even well outside cluster cores. Therefore, a detailed treatment of gas cooling, star formation, clumping, and AGN feedback is required to construct realistic models of cluster outer regions.

Eckert, D.↗
NASA NTRS2011

Dust Optical Properties Over North Africa and Arabian Peninsula Derived from the AERONET Dataset

Dust optical properties over North Africa and the Arabian Peninsula are extracted from the quality assured multi-year datasets obtained at 14 sites of the Aerosol Robotic Network (AERONET). We select the data with (a) large aerosol optical depth (AOD >= 0.4 at 440 nm) and (b) small Angstrom exponent (A(sub ext)<= 0.2) for retaining high accuracy and reducing interference of non-dust aerosols. The result indicates that the major fraction of high aerosol optical depth days are dominated by dust over these sites even though it varies depending on location and time. We have found that the annual mean and standard deviation of single scattering albedo, asymmetry parameter, real refractive index, and imaginary refractive index for Saharan and Arabian desert dust is 0.944 +/- 0.005, 0.752 +/- 0.014, 1.498 +/- 0.032, and 0.0024 +/- 0.0034 at 550 nm wavelength, respectively. Dust aerosol selected by this method is less absorbing than the previously reported values over these sites. The weaker absorption of dust from this study is consistent with the studies using remote sensing techniques from satellite. These results can help to constrain uncertainties in estimating global dust shortwave radiative forcing.

Kim, D.↗
NASA NTRSDate not supplied

Stagnation Point Convective Heating Correlations for Entry Into H2/He Atmospheres

New convective heating correlations have been developed over a broad range of entry conditions into H2/He atmospheres. The correlations are based on calculations of stagnation point convective heat fluxes over a large range of velocities, densities, and effective nose radii. The heat fluxes and corresponding flowfields are computed using NASA’s hypersonic computational fluid dynamics code, DPLR. Cases in this study have been computed using both a temperaturelimited, radiative equilibrium wall and a cold wall temperature boundary condition. The results for the scaled heat flux, as a function of the difference in freestream and wall enthalpies, show a clear deviation from the linear trend predicted by the method of Sutton and Graves. Therefore, updated non-linear correlations are proposed for the prediction of stagnation point convective heat fluxes. Generally, these updated correlations predict lower heat loads and therefore smaller required TPS thicknesses when compared to previous correlations for a range of test cases in the Neptune, Saturn, and Uranus atmospheres.

Alex T. Carroll↗
DOE OSTI2018

Shallow-to-Deep Transition of Continental Moist Convection: Cold Pools, Surface Fluxes, and Mesoscale Organization

Large-eddy simulation is used to investigate the effects of cold pools driven by rain evaporation on the shallow-to-deep convection transition over land. The physically consistent methodologies are developed to obtain a time-dependent reference ensemble without cold pools and to apply interactive surface heat fluxes without modeling of surface energy and water budgets. Three different simulation ensembles are contrasted. The reference ensemble, in the spirit of one-dimensional single-column models, eliminates cold pools by horizontally homogenizing negative buoyancy production due to rain evaporation. The additional ensembles complement the reference cold-pool-free ensemble by including cold pools and by applying either interactive or prescribed surface fluxes. Contrasting these ensembles suggests possible improvements of convection parameterization in large-scale models of weather and climate. Without cold pools, the reference ensemble preserves key features of buoyancy-driven cellular convection associated with a field of convective plumes, as assumed in a typical convection parameterization. With cold pools, a significant enhancement of surface heat and moisture fluxes and about an hour delay of their daily maximum is simulated. Cold pools enhance near-surface temperature and moisture standard deviations as well as maxima of the near-surface updraft velocity. They also lead to the reduction of cloud lateral entrainment, deeper vertical development of the cloud layer, and a few-times-larger accumulated surface precipitation. Interactive surface fluxes provide a damping mechanism that noticeably suppresses all these effects. Perhaps surprisingly, cold pools do not significantly change the cloud-base convective mass flux that approximately follows the evolution of surface heat fluxes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Agriculture, forestry, range resources

In the area of crop specie identification, it has been found that temporal data analysis, preliminary stratification, and unequal probability analysis were several of the factors that contributed to high identification accuracies. Single data set accuracies on fields of greater than 80,000 sq m (20 acres) are in the 70- to 90-percent range; however, with the use of temporal data, accuracies of 95 percent have been reported. Identification accuracy drops off significantly on areas of less than 80,000 sq m (20 acres) as does measurement accuracy. Forest stratification into coniferous and deciduous areas has been accomplished to a 90- to 95-percent accuracy level. Using multistage sampling techniques, the timber volume of a national forest district has been estimated to a confidence level and standard deviation acceptable to the Forest Service at a very favorable cost-benefit time ratio. Range specie/plant community vegetation mapping has been accomplished at various levels of success (69- to 90-percent accuracy). However, several investigators have obtained encouraging initial results in range biomass (forage production) estimation and range readiness predictions. Soil association map correction and soil association mapping in new area appear to have been proven feasible on large areas; however, testing in a complex soil area should be undertaken.

Crea, W. J.↗
NASA NTRS1983

Geometrically nonlinear analysis of layered composite plates and shells

A degenerated three dimensional finite element, based on the incremental total Lagrangian formulation of a three dimensional layered anisotropic medium was developed. Its use in the geometrically nonlinear, static and dynamic, analysis of layered composite plates and shells is demonstrated. A two dimenisonal finite element based on the Sanders shell theory with the von Karman (nonlinear) strains was developed. It is shown that the deflections obtained by the 2D shell element deviate from those obtained by the more accurate 3D element for deep shells. The 3D degenerated element can be used to model general shells that are not necessarily doubly curved. The 3D degenerated element is computationally more demanding than the 2D shell theory element for a given problem. It is found that the 3D element is an efficient element for the analysis of layered composite plates and shells undergoing large displacements and transient motion.

Chao, W. C.↗
NASA NTRS2001

Reliability Analysis and Reliability-Based Design Optimization of Circular Composite Cylinders Under Axial Compression

This report describes the preliminary results of an investigation on component reliability analysis and reliability-based design optimization of thin-walled circular composite cylinders with average diameter and average length of 15 inches. Structural reliability is based on axial buckling strength of the cylinder. Both Monte Carlo simulation and First Order Reliability Method are considered for reliability analysis with the latter incorporated into the reliability-based structural optimization problem. To improve the efficiency of reliability sensitivity analysis and design optimization solution, the buckling strength of the cylinder is estimated using a second-order response surface model. The sensitivity of the reliability index with respect to the mean and standard deviation of each random variable is calculated and compared. The reliability index is found to be extremely sensitive to the applied load and elastic modulus of the material in the fiber direction. The cylinder diameter was found to have the third highest impact on the reliability index. Also the uncertainty in the applied load, captured by examining different values for its coefficient of variation, is found to have a large influence on cylinder reliability. The optimization problem for minimum weight is solved subject to a design constraint on element reliability index. The methodology, solution procedure and optimization results are included in this report.

Rais-Rohani, Masoud↗