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At least 1,153 records · Page 64

Preliminary results of polarization signatures for glacial moraines in the Mono Basin, Eastern Sierra Nevada

The valleys of the Mono Basin contain several sets of lateral and terminal moraines representing multiple stages of glaciation. The semi-arid climate with slow weathering rates preserved sequences of nested younger moraines within older ones. There is a well established relative chronology and recently exposure dating provided a new set of numerical dates. The moraines span the late Wisconsin (11-25 ka) to the Illinoian (130-190 ka) glaciations. The Mono Basin area was used as a 'calibration site' to establish remote dating techniques for eventual transfer to the more inaccessible but geomorphically and climatically similar moraines of the South American Andes Mountains. Planned polarimetric synthetic aperture radar (SAR) imagery acquired by JPL AIRSAR (South American Campaign) and SIR-C (Andes super-site) are analyzed to establish chronologies of previously undated moraine sequences in a study of Pleistocene climatic change in the Southern Hemisphere. The dry climate and sparse vegetation is also favorable for correlation of ground surface roughness with radar polarization signature. The slow weathering processes acting over thousands of years reduce the size, frequency, and angularity of surface boulders while increasing soil development on the moraines. Field observations based on this hypothesis result in relative ages consistent with those inferred from nested position within the valley. Younger moraines, therefore, will appear rougher than the older smoother moraines at scales measurable at AIRSAR wavelengths. Previously documented effects of ground surface roughness on polarization signatures suggest that analysis of moraine polarization signatures can be useful for relative dating. The technique may be extended to predict numerical ages. The data set reported were acquired on 8 Sep. 1989 with the JPL Airborne SAR (AIRSAR) collecting polarimetric imagery at C- (5.6 cm), L- (24 cm), and P-band (68 cm) with a flight-line parallel to the strike of the mountains. Phase calibration was performed on the analyzed scene by setting the co-phase of a smooth lake to zero as described. Absolute amplitude calibration was not possible because corner reflectors were not deployed.

Forster, Richard R.↗

Forecasting Responses of a Northern Peatland Carbon Cycle to Elevated CO 2 and a Gradient of Experimental Warming

The ability to forecast ecological carbon cycling is imperative to land management in a world where past carbon fluxes are no longer a clear guide in the Anthropocene. However, carbon–flux forecasting has not been practiced routinely like numerical weather prediction. This study explored (1) the relative contributions of model forcing data and parameters to uncertainty in forecasting flux– versus pool–based carbon cycle variables and (2) the time points when temperature and CO 2 treatments may cause statistically detectable differences in those variables. We developed an online forecasting workflow (Ecological Platform for Assimilation of Data (EcoPAD)), which facilitates iterative data–model integration. EcoPAD automates data transfer from sensor networks, data assimilation, and ecological forecasting. We used the Spruce and Peatland Responses Under Changing Experiments data collected from 2011 to 2014 to constrain the parameters in the Terrestrial Ecosystem Model, forecast carbon cycle responses to elevated CO 2 and a gradient of warming from 2015 to 2024, and specify uncertainties in the model output. Our results showed that data assimilation substantially reduces forecasting uncertainties. Interestingly, we found that the stochasticity of future external forcing contributed more to the uncertainty of forecasting future dynamics of C flux–related variables than model parameters. However, the parameter uncertainty primarily contributes to the uncertainty in forecasting C pool–related response variables. Given the uncertainties in forecasting carbon fluxes and pools, our analysis showed that statistically different responses of fast–turnover pools to various CO 2 and warming treatments were observed sooner than slow–turnover pools. In conclusion, our study has identified the sources of uncertainties in model prediction and thus leads to improve ecological carbon cycling forecasts in the future.

54 ENVIRONMENTAL SCIENCES↗

What is the iε for the S-matrix?

Can the S-matrix be complexified in a way consistent with causality? Since the 1960's, the affirmative answer to this question has been well-understood for 2→2 scattering of the lightest particle in theories with a mass gap at low momentum transfer, where the S-matrix is analytic everywhere except at normal-threshold branch cuts. We ask whether an analogous picture extends to realistic theories, such as the Standard Model, that include massless fields, UV/IR divergences, and unstable particles. Especially in the presence of light states running in the loops, the traditional iε prescription for approaching physical regions might break down, because causality requirements for the individual Feynman diagrams can be mutually incompatible. We demonstrate that such analyticity problems are not in contradiction with unitarity. Instead, they should be thought of as finite-width effects that disappear in the idealized 2→2 scattering amplitudes with no unstable particles, but might persist at higher multiplicity. To fix these issues, we propose an iε -like prescription for deforming branch cuts in the space of Mandelstam invariants without modifying the analytic properties. This procedure results in a complex strip around the real part of the kinematic space, where the S-matrix remains causal. In addition to giving a pedagogical introduction to the analytic properties of the perturbative S-matrix from a modern point of view, we illustrate all the points on explicit examples, both symbolically and numerically. Furthermore, to help with the investigation of related questions, we introduce a number of tools, including holomorphic cutting rules, new approaches to dispersion relations, as well as formulae for local behavior of Feynman integrals near branch points.

Anomalous thresholds↗

Predictors of Recurrent Biliary Obstruction Following Percutaneous Uncovered Metal Stent Insertion in Patients with Distal Malignant Biliary Obstruction: An Analysis Using a Competing Risk Model

Objective: To evaluate predictive factors of recurrent biliary obstruction (RBO) following percutaneous uncovered metal stent placement for unresectable distal malignant biliary obstruction (MBO) by using a competing risk model. Materials and Methods: Between March 2012 and March 2016, 119 patients underwent percutaneous uncovered metal stent placement with distal MBO at our institution. Univariate and multivariate analyses were conducted to identify the prognostic factors for RBO using a competing risk model. Results: The median overall survival period was 170 days (range 19–775 days). Recurrent biliary obstruction before death was observed in 34 patients (28.6%). The 3-, 6-, and 12-month cumulative incidences of RBO were 14.3%, 21.0%, and 27.7%, respectively. A multivariate analysis indicated that ampullary carcinoma compared with metastatic carcinoma (hazard ratio [HR] = 4.86; 95% confidence interval [CI], 1.74–13.54; P = 0.003) and a stent insertion above the sphincter of Oddi (HR 2.49; 95% CI, 1.11–5.62; P = 0.028) were the independent risk factors for RBO when we considered death to be a competing risk. Conclusion: Ampullary carcinoma and stent insertion above the sphincter of Oddi were risk factors for RBO in these patients who received percutaneous transhepatic stent placement.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Novel and rapid osteoporosis model established in zebrafish using high iron stress

Highlights: • Establish a rapid and robust zebrafish model of osteoporosis using high iron stress. • High iron-overloaded results in severe defects in skeletal development. • High iron stress leads significant downregulation of osteoblast-specific mRNAs. • This osteoporosis phenotype is effectively repaired by a known drug Alendronate (AL). • AL could rescue osteoporosis larval fish through facilitating osteoblast differentiation. Osteoporosis is a global public health concern and, it can result from numerous pathogenic mechanisms, many of which are closely related with age, nutritional disorders, endocrine imbalance, or adverse drug side effects presented by glucocorticoids, heparin, and anti-epileptics. Given its wide range etiologies, it is crucial to establish an animal model of osteoporosis for use in screening potential drugs quickly and effectively. Previous research has reported that an accumulation of elevated iron in the body is an independent risk factor for osteoporosis. As such, we sought to use both zebrafish larvae and adults to model an osteoporosis phenotype using high iron stress (FAC, ferric ammonium citrate). Skeletal staining results suggested that iron-overload caused a significant decrease in bone calcification as well as severe developmental cartilage defects. In addition, osteoblast and cartilage-specific mRNA expression levels were downregulated after exposure to a high-iron environment. Most importantly, we demonstrated in both larval and adult fish that high iron-induced osteogenic defects were significantly rescued using alendronate (AL), a drug known to be effective against to human osteoporosis. Even more, the repair effect of AL was achieved by facilitating osteoblast differentiation and targeting Bmp signaling. Taken together, our findings propose an rapid and effective osteoporosis model, which could be used widely for future osteoporosis drug screening.

60 APPLIED LIFE SCIENCES↗

A sharp interface Lagrangian-Eulerian method for rigid-body fluid-structure interaction

Herein this paper introduces a sharp interface method to simulate fluid-structure interaction (FSI) involving rigid bodies immersed in viscous incompressible fluids. The capabilities of this methodology are benchmarked using a range of test cases and demonstrated using large-scale models of biomedical FSI. The numerical approach developed herein, which we refer to as an immersed Lagrangian-Eulerian (ILE) method, integrates aspects of partitioned and immersed FSI formulations by solving separate momentum equations for the fluid and solid subdomains, as in a partitioned formulation, while also using non-conforming discretizations of the dynamic fluid and structure regions, as in an immersed formulation. A simple Dirichlet-Neumann coupling scheme is used, in which the motion of the immersed solid is driven by fluid traction forces evaluated along the fluid-structure interface, and the motion of the fluid along that interface is constrained to match the solid velocity and thereby satisfy the no-slip condition. To develop a practical numerical method, we adopt a penalty approach that approximately imposes the no-slip condition along the fluid-structure interface. In the coupling strategy, a separate discretization of the fluid-structure interface is tethered to the volumetric solid mesh via stiff spring-like penalty forces. Our fluid-structure coupling scheme relies on an immersed interface method (IIM) for discrete geometries, which enables the accurate determination of both velocities and stresses along complex internal interfaces. Numerical methods for FSI can suffer from instabilities related to the added mass effect, but computational tests indicate that the methodology introduced here remains stable for selected test cases across a broad range of solid-fluid mass density ratios, including extremely small, nearly equal, equal, and large density ratios. Biomedical FSI demonstration cases include results obtained using this method to simulate the dynamics of a bileaflet mechanical heart valve in a pulse duplicator, and to model transport of blood clots in a patient-averaged anatomical model of the inferior vena cava.

97 MATHEMATICS AND COMPUTING↗

High pressure ammonia/methanol oxidation up to 100 atm

Here, high pressure ammonia/methanol oxidation and NOx formations were investigated using a recently developed supercritical pressure jet-stirred reactor (SP-JSR) at 20 and 100 atm with temperatures between 550 and 950 K and equivalence ratios of 0.138 and 1.15. The experimental results show that NH 3 oxidation at high pressure is significantly accelerated by the active OH radicals produced from CH 3 OH oxidation. Furthermore, the kinetic interactions between NH 3 and CH 3 OH are governed mainly by the reactions CH 3 OH + NH 2 = CH 2 OH + NH 3 , CH 3 OH + NH 2 = CH 3 O + NH 3 , and CH 2 O + NH 2 = HCO + NH 3 . A HP-Mech model for high-pressure NH 3 /CH 3 OH oxidation was developed in this study. It consists of the most recent NH 3 and CH 3 OH models including some new reactions and updated rate constants from the literature as well as NH 3 -CH 3 OH interactions where rate constants of CH 3 OH + NH 2 = CH 2 OH + NH 3 , CH 3 OH + NH 2 = CH 3 O + NH 3 , NH 2 + CH 2 O = NH 3 + HCO, and NH 2 + CH 2 O = NH 2 CHO + H were theoretically calculated in this study. Our model with these updates improves the prediction for the measured N 2 O/NO x temperature dependence at 100 atm. In addition, the reaction pathway and sensitivity analysis show that N 2 O/NO x /HONO interactions with HO 2 are very important, especially for a fuel-lean mixture at 100 atm. The HONO mole fraction for the fuel-lean mixture at 100 atm was then measured by off-axis integrated cavity output spectroscopy (ICOS) at wavenumber of 6638.26 cm -1 . The experimental data show a significant HONO formation at intermediate temperature that is strongly underpredicted by numerical simulation at 100 atm. Therefore, the HONO related reactions with notable uncertainty at high pressure such as NO + OH (+M) = HONO (+M) and H 2 NO + NO 2 = HONO + HNO need deeper exploration in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibrational spectroscopy of uranium tetrafluoride hydrates

Uranium tetrafluoride (UF 4 ) is an important intermediate in the production of UF6 and nuclear fuel. Historical characterization of UF 4 with Raman spectroscopy was plagued with ambiguity until the first accurate Raman spectrum was published by our group in 2016. Although generally considered to be relatively stable, UF 4 can hydrolyze to form numerous UF 4 hydrates that may play a role in future uranium waste forms. In contrast to anhydrous UF 4 , the hydrates, with their OH stretch and HOH bending modes, can be spectroscopically characterized by the type and degree of water bonding in the crystal lattice, which can yield additional information about their crystal structure. Herein, vibrational spectroscopy (Raman and infrared) was used to characterize three different UF 4 hydrates: UF 4 (H 2 O) 0.33 , U 3 F 12 (H 2 O), and UF 4 (H 2 O) 2.5 . Spectra show the different hydrates vary in the number of observed bands, full-width half-maximum of the bands, and band intensity. These differences are due to varying interactions between the OH stretch and HOH bending modes with UF 4 and the polymeric UF 4 structure in the crystal lattice. These vibrational data, in combination with spectral fitting and crystallographic structures measured with powder X-ray diffraction and single crystal X-ray diffraction, provide unique details on the location of water molecules in the crystal lattice of hydrated UF 4 , and provide an interesting contrast to the vibrational spectra of anhydrous UF 4 .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Detailed Characterization of an Annealed Reduced Graphene Oxide Catalyst for Selective Peroxide Formation Activity

Recently, electrochemical hydrogen peroxide (H 2 O 2 ) generation from oxygen molecules has been extensively studied. Thus far, the best peroxide activity under alkaline conditions has been reported at the surface of a mild reduced graphene oxide annealed at 600 °C (mrGO-600). However, the detailed material information, such as chemical functionality and structural morphology, is unknown, which results in ambiguous debates on its catalytic active sites. Therefore, to solve this problem, we intensively characterize the structure of mrGO-600 to clarify the origin of its catalytic activity. Various characterizations, including X-ray photoelectron spectroscopy, Raman spectroscopy, infrared spectroscopy, near-edge X-ray absorption fine spectroscopy, and high-resolution transmittance electron microscopy coupled with in situ infrared spectroelecrochemistry, reveal that the annealing process generates not only various hole edge defects that are related to the ring ether group but also numerous point defects that result in a small-sized disconnected graphitic carbon region. These defects are believed to form a unique atomic level configuration in mrGO-600, which enables it to facilitate high peroxide-generated activity from oxygen molecules in an alkaline electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relative Permeability Scaling From Pore-Scale Flow Regimes

Relative permeability measurements are commonly fitted with the Corey and Brooks-Corey correlations. Despite such correlations fit experimental data generally well, they are mostly of an empirical nature. Here, we propose a semiempirical model to determine relative permeabilities of the wetting and the nonwetting phases in real 3-D porous media that accounts for pore-scale flow regimes. The starting point is the homogenization framework proposed by Picchi and Battiato (2018, https://doi.org/10.1029/2018WR023172), where the upscaling is conducted for different spatial distributions of the flowing phases in the capillary tube setting. First, we extend the approach to realistic media by allowing pore-scale flow regimes to coexist in a complex geometry while accounting for capillary and viscous limits in the dynamics. Then, we discuss the scaling behavior of normalized relative permeabilities in terms of the phases viscosity ratio and identify three classes which govern their scaling. We also derive an analytical expression for the fractional flow. Finally, we provide a detailed validation of the proposed model for both relative permeabilities and fractional flow against data from numerical simulations and experiments available in the literature. Lastly, the data set used for validation covers a wide range of systems, ranging from brine-CO 2 to oil-water flows. The equations derived capture well the trend of both numerical and experimental data.

54 ENVIRONMENTAL SCIENCES↗

An alternative realization of the exact non-Markovian stochastic Schrödinger equation

Based on the path integral approach, we derive a new realization of the exact non-Markovian stochastic Schrödinger equation (SSE). The main difference from the previous non-Markovian quantum state diffusion (NMQSD) method is that the complex Gaussian stochastic process used for the forward propagation of the wave function is correlated, which may be used to reduce the amplitude of the non-Markovian memory term at high temperatures. The new SSE is then written into the recently developed hierarchy of pure states scheme, in a form that is more closely related to the hierarchical equation of motion approach. Numerical simulations are then performed to demonstrate the efficiency of the new method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multi-task graph neural networks for simultaneous prediction of global and atomic properties in ferromagnetic systems *

Abstract We introduce a multi-tasking graph convolutional neural network, HydraGNN, to simultaneously predict both global and atomic physical properties and demonstrate with ferromagnetic materials. We train HydraGNN on an open-source ab initio density functional theory (DFT) dataset for iron-platinum with a fixed body centered tetragonal lattice structure and fixed volume to simultaneously predict the mixing enthalpy (a global feature of the system), the atomic charge transfer, and the atomic magnetic moment across configurations that span the entire compositional range. By taking advantage of underlying physical correlations between material properties, multi-task learning (MTL) with HydraGNN provides effective training even with modest amounts of data. Moreover, this is achieved with just one architecture instead of three, as required by single-task learning (STL). The first convolutional layers of the HydraGNN architecture are shared by all learning tasks and extract features common to all material properties. The following layers discriminate the features of the different properties, the results of which are fed to the separate heads of the final layer to produce predictions. Numerical results show that HydraGNN effectively captures the relation between the configurational entropy and the material properties over the entire compositional range. Overall, the accuracy of simultaneous MTL predictions is comparable to the accuracy of the STL predictions. In addition, the computational cost of training HydraGNN for MTL is much lower than the original DFT calculations and also lower than training separate STL models for each property.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Single-particle dynamics of microbunching

The mechanism of steady-state microbunching (SSMB) has been proposed [D. F. Ratner and A. W. Chao, Phys. Rev. Lett. 105, 154801 (2010)] to generate high-power coherent radiation at a high repetition rate or in continuous-wave mode using electron storage rings. In this paper, the related single-particle dynamics are theoretically and numerically studied, and important results are presented. The investigated effects are longitudinal quantum radiation excitation, nonlinear momentum compaction, and linear and nonlinear coupling of the transverse and longitudinal motion. Although this analysis is oriented toward SSMB, some of the analyzed effects are also crucial in cases such as coherent harmonic generation, bunch slicing, bunch compression, free-electron laser beam transport lines, and quasi-isochronous rings, which involve precise longitudinal phase-space manipulations.

43 PARTICLE ACCELERATORS↗

Shock-wave studies of anomalous compressibility of glassy carbon

The physico-mechanical properties of amorphous glassy carbon are investigated under shock compression up to 10 GPa. Experiments are carried out on the continuous recording of the mass velocity of compression pulses propagating in glassy carbon samples with initial densities of 1.502(5) g/cm{sup 3} and 1.55(2) g/cm{sup 3}. It is shown that, in both cases, a compression wave in glassy carbon contains a leading precursor with amplitude of 0.135(5) GPa. It is established that, in the range of pressures up to 2 GPa, a shock discontinuity in glassy carbon is transformed into a broadened compression wave, and shock waves are formed in the release wave, which generally means the anomalous compressibility of the material in both the compression and release waves. It is shown that, at pressure higher than 3 GPa, anomalous behavior turns into normal behavior, accompanied by the formation of a shock compression wave. In the investigated area of pressure, possible structural changes in glassy carbon under shock compression have a reversible character. A physico-mechanical model of glassy carbon is proposed that involves the equation of state and a constitutive relation for Poisson’s ratio and allows the numerical simulation of physico-mechanical and thermophysical properties of glassy carbon of different densities in the region of its anomalous compressibility.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Self-action of Bessel wave packets in a system of coupled light guides and formation of light bullets

The self-action of two-dimensional and three-dimensional Bessel wave packets in a system of coupled light guides is considered using the discrete nonlinear Schrödinger equation. The features of the self-action of such wave fields are related to their initial strong spatial inhomogeneity. The numerical simulation shows that for the field amplitude exceeding a critical value, the development of an instability typical of a medium with the cubic nonlinearity is observed. Various regimes are studied: the self-channeling of a wave beam in one light guide at powers not strongly exceeding a critical value, the formation of the “kaleidoscopic” picture of a wave packet during the propagation of higher-power radiation along a stratified medium, the formation of light bullets during competition between self-focusing and modulation instabilities in the case of three-dimensional wave packets, etc. In the problem of laser pulse shortening, the situation is considered when the wave-field stratification in the transverse direction dominates. This process is accompanied by the self-compression of laser pulses in well enough separated light guides. The efficiency of conversion of the initial Bessel field distribution to two flying parallel light bullets is about 50%.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Low-Rank Solution Methods for Stochastic Eigenvalue Problems

In this report, we study efficient solution methods for stochastic eigenvalue problems arising from discretization of self-adjoint partial differential equations with random data, where the underlying operators depend linearly on the random parameters. With the stochastic Galerkin approach, the solutions are represented as generalized polynomial chaos expansions. When these solutions can be approximated well by low-rank objects, we introduce a low-rank variant of the inverse subspace iteration algorithm for computing one or several minimal eigenvalues and corresponding eigenvectors of parameter-dependent matrices. In the algorithm, the iterates are approximated by low-rank matrices, which leads to significant cost savings. Furthermore, the algorithm is tested on two benchmark problems, a stochastic diffusion problem with some poorly separated eigenvalues, and an operator derived from a discrete stochastic Stokes problem whose minimal eigenvalue is related to the inf-sup stability constant. Numerical experiments show that the low-rank algorithm produces accurate solutions compared to the Monte Carlo method, and it uses much less computational time than the original algorithm without low-rank approximation.

97 MATHEMATICS AND COMPUTING↗

Enhancing Cloud Radiative Processes and Radiation Efficiency in the Advanced Research Weather Research and Forecasting (WRF) Model

The objective of this research has been to evaluate and implement enhancements to the computational performance of the RRTMG radiative transfer option in the Advanced Research version of the Weather Research and Forecasting (WRF) model. Efficiency is as essential as accuracy for effective numerical weather prediction, and radiative transfer is a relatively time-consuming component of dynamical models, taking up to 30-50 percent of the total model simulation time. To address this concern, this research has implemented and tested a version of RRTMG that utilizes graphics processing unit (GPU) technology (hereinafter RRTMGPU) to greatly improve its computational performance; thereby permitting either more frequent simulation of radiative effects or other model enhancements. During the early stages of this project the development of RRTMGPU was completed at AER under separate NASA funding to accelerate the code for use in the Goddard Space Flight Center (GSFC) Goddard Earth Observing System GEOS-5 global model. It should be noted that this final report describes results related to the funded portion of the originally proposed work concerning the acceleration of RRTMG with GPUs in WRF. As a k-distribution model, RRTMG is especially well suited to this modification due to its relatively large internal pseudo-spectral (g-point) dimension that, when combined with the horizontal grid vector in the dynamical model, can take great advantage of the GPU capability. Thorough testing under several model configurations has been performed to ensure that RRTMGPU improves WRF model run time while having no significant impact on calculated radiative fluxes and heating rates or on dynamical model fields relative to the RRTMG radiation. The RRTMGPU codes have been provided to NCAR for possible application to the next public release of the WRF forecast model.

54 ENVIRONMENTAL SCIENCES↗

Synthesis and Characterization of Novel Actinide Compounds (LDRD External Report Summary)

It is important to gain new understanding of actinides in order to understand the fate of these elements in the environment and the factors that contribute to actinide-lanthanide extraction selectivity. Detailed structural, magnetic, and electronic studies of novel actinide compounds can provide useful information on bonding behavior to guide the development of novel separation and environmental remediation strategies. Development of new actinide compounds remains a relatively open area to study due to the numerous challenges faced when performing chemical synthesis with radioactive materials. In this LDRD, we sought to synthesize and characterize single crystals of novel polyoxometalates that selectively encapsulate plutonium and uranium. We were successful in preparation of [U III Pd II 12 (AsPh) 8 O 32 ] 5⁻ ; the first actinide-based polyoxopalladate.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗