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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 199 records · Page 11

Probing Galactic Diffuse TeV Gamma-Ray Emission with the HAWC Observatory

Galactic diffuse TeV gamma-ray emission is produced by the interaction of high-energy cosmic- ray particles with matter and radiation in our Galaxy. The measurement of Galactic diffuse TeV gamma-ray emission would provide strong constraints on the acceleration and propagation of Galactic cosmic rays. The High Altitude Water Cherenkov (HAWC) Observatory, located in central Mexico at 4100 m above sea level, is sensitive to gamma rays between a few hundreds GeV and ~100 TeV. Thanks to its large field of view of 2 steradians and excellent background estimation, HAWC has a unique capability to observe large extended sources such as Galactic diffuse emission. We present the analysis strategy to detect the Galactic diffuse emission with HAWC, including techniques to remove contaminations from localized sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Technical Note: Isotopic corrections for the radiocarbon composition of CO 2 in the soil gas environment must account for diffusion and diffusive mixing

Earth system scientists working with radiocarbon in organic samples use a stable carbon isotope ( δ 13 C ) correction to account for mass-dependent fractionation, but it has not been evaluated for the soil gas environment, wherein both diffusive gas transport and diffusive mixing are important. Using theory and an analytical soil gas transport model, we demonstrate that the conventional correction is inappropriate for interpreting the radioisotopic composition of CO 2 from biological production because it does not account for important gas transport mechanisms. Based on theory used to interpret δ 13 C of soil production from soil CO 2 , we propose a new solution for radiocarbon applications in the soil gas environment that fully accounts for both mass-dependent diffusion and mass-independent diffusive mixing.

54 ENVIRONMENTAL SCIENCES↗

Cosmic ray diffusion: Report of the Workshop in Cosmic Ray Diffusion Theory

A workshop in cosmic ray diffusion theory was held at Goddard Space Flight Center on May 16-17, 1974. Topics discussed and summarized are: (1) cosmic ray measurements as related to diffusion theory; (2) quasi-linear theory, nonlinear theory, and computer simulation of cosmic ray pitch-angle diffusion; and (3) magnetic field fluctuation measurements as related to diffusion theory.

Birmingham, T. J.↗

Predicting diffusion paths and interface motion in gamma/gamma + beta, Ni-Cr-Al diffusion couples

A simplified model has been developed to predict Beta recession and diffusion paths in ternary gamma/gamma + beta diffusion couples (gamma:fcc, beta: NiAl structure). The model was tested by predicting beta recession and diffusion paths for four gamma/gamma + beta, Ni-Cr-Al couples annealed for 100 hours at 1200 C. The model predicted beta recession within 20 percent of that measured for each of the couples. The model also predicted shifts in the concentration of the gamma phase at the gamma/gamma + beta interface within 2 at. pct Al and 6 at. pct Cr of that measured in each of the couples. A qualitative explanation based on simple kinetic and mass balance arguments has been given which demonstrates the necessity for diffusion in the two-phase region of certain gamma/gamma + beta, Ni-Cr-Al couples.

Nesbitt, J. A.↗

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 8: The role of the information intermediary in the diffusion of aerospace knowledge

The United States aerospace industry is experiencing profound changes created by a combination of domestic actions and circumstances such as airline deregulation. Other changes result from external trends such as emerging foreign competition. These circumstances intensify the need to understand the production, transfer, and utilization of knowledge as a precursor to the rapid diffusion of technology. Presented here is a conceptual framework for understanding the diffusion of technology. A conceptual framework is given for understanding the diffusion of aerospace knowledge. The framework focuses on the information channels and members of the social system associated with the aerospace knowledge diffusion process, placing particular emphasis on aerospace librarians as information intermediaries.

Pinelli, Thomas E.↗

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 12: The diffusion of federally funded aerospace Research and Development (R&D) and the information seeking behavior of US aerospace engineers and scientists

The present exploration of the diffusion of federally-funded R&D via the information-seeking behavior of scientists and engineers proceeds under three assumptions: (1) that knowledge transfer and utilization is as important as knowledge production; (2) that the diffusion of knowledge obtained through federally-funded R&D is necessary for the maintenance of U.S. preeminence in the aerospace field; and (3) that federally-funded NASA and DoD technical reports play an important, albeit as-yet undefined, role in aerospace R&D diffusion. A conceptual model is presented for the process of knowledge diffusion that stresses the role of U.S. government-funded technical reports.

Pinelli, Thomas E.↗

NASA/DOD Aerospace Knowledge Diffusion Research Project. Paper 12: The diffusion of federally funded aerospace research and development (R/D) and the information seeking behavior of US aerospace engineers and scientists

In this paper, the diffusion of federally funded aerospace R&D is explored from the perspective of the information-seeking behavior of U.S. aerospace engineers and scientists. The following three assumptions frame this exploration: (1) knowledge production, transfer, and utilization are equally important components of the aerospace R&D process; (2) the diffusion of knowledge resulting from federally funded aerospace R&D is indispensable for the U.S. to remain a world leader in aerospace; and (3) U.S. government technical reports, produced by NASA and DOD, play an important, but as yet undefined, role in the diffusion of federally funded aerospace R&D. A conceptual model for federally funded aerospace knowledge diffusion, one that emphasizes U.S. goverment technical reports, is presented. Data regarding three research questions concerning the information-seeking behavior of U.S. aerospace engineers and scientists are also presented.

Pinelli, Thomas E.↗

Identification of the Diffusion Parameter in Nonlocal Steady Diffusion Problems

The problem of identifying the diffusion parameter appearing in a nonlocal steady diffusion equation is considered. The identification problem is formulated as an optimal control problem having a matching functional as the objective of the control and the parameter function as the control variable. The analysis makes use of a nonlocal vector calculus that allows one to define a variational formulation of the nonlocal problem. In a manner analogous to the local partial differential equations counterpart, we demonstrate, for certain kernel functions, the existence of at least one optimal solution in the space of admissible parameters. We introduce a Galerkin finite element discretization of the optimal control problem and derive a priori error estimates for the approximate state and control variables. Using one-dimensional numerical experiments, we illustrate the theoretical results and show that by using nonlocal models it is possible to estimate non-smooth and discontinuous diffusion parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Second-order accurate interface- and discontinuity-aware diffusion solvers in two and three dimensions

A numerical scheme is developed for two- and three-dimensional time-dependent diffusion equations in numerical simulations involving mixed cells. The focus of the development is on the formulations for both transient and steady states, the property for large time steps, second-order accuracy in both space and time, the correct treatment of the discontinuity in material properties, and the handling of mixed cells. For a mixed cell, interfaces between materials are reconstructed within the cell so that each of resulting sub-cells contains only one material and the material properties of each sub-cell are known. Diffusion equations are solved on the resulting polyhedral mesh even if the original mesh is structured. The discontinuity of material properties between different materials is correctly treated based on governing physics principles. The treatment is exact for arbitrarily strong discontinuity. The formulae for effective diffusion coefficients across interfaces between materials are derived for general polyhedral meshes. The scheme is general in two and three dimensions. Since the scheme to be developed in this paper is intended for multi-physics code with adaptive mesh refinement (AMR), we present the scheme on mesh generated from AMR. The correctness and features of the scheme are demonstrated for transient problems and steady states in one-, two-, and three-dimensional simulations for heat conduction and radiation heat transfer. The test problems involve dramatically different materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Understanding the Different Diffusion Mechanisms of Hydrated Protons and Potassium Ions in Titanium Carbide MXene

The high intercalation capacitance of MXenes is attractive, but their performance as electrodes in supercapacitors is limited by mass transport when increasing the thickness and mass loading of the electrodes. Here, we report a combined experimental and computational study, through which we reveal the diffusion of hydrated ionic species at the interlayer spaces. We find that the cyclic voltammetry curves for the delaminated Ti 3 C 2 T x exhibit distinct features in acid (H 2 SO 4 ) and alkaline (KOH) electrolytes. The DFT-calculated migration profile of K + and H + , in the presence and absence of water, suggests that the intercalated water molecules stabilize the charged ions, facilitating their diffusion from two dimension to three dimension manifested by the reduced activation barriers and movement pathways. In addition, we show that the diffusion of low and high concentrations of protons is significantly different. That is, protons of high concentrations can adsorb at both sides of the interlayer spaces, and water drives frequent proton hopping between stable adsorption sites as shown in the ab initio molecular dynamics simulations. The calculations can thus explain the varied capacitance and distorted CV curves when the experiments are conducted in acid and alkaline electrolytes. Furthermore, these results can provide the guidance to improve the fast transport of ions and electrons in MXenes with high mass loading.

25 ENERGY STORAGE↗

A combined kick-out and dissociative diffusion mechanism of grown-in Be in InGaAs and InGaAsP. A new finite difference-Bairstow method for solution of the diffusion equations

Experimental results on the diffusion of grown-in beryllium (Be) in indium gallium arsenide (In{sub 0.53}Ga{sub 0.47}As) and indium gallium arsenide phosphide (In{sub 0.73}Ga{sub 0.27}As{sub 0.58}P{sub 0.42}) gas source molecular beam epitaxy alloys lattice-matched to indium phosphide (InP) can be successfully explained in terms of a combined kick-out and dissociative diffusion mechanism, involving neutral Be interstitials (Be{sub i}{sup 0}), singly positively charged gallium (Ga), indium (In) self-interstitials (I{sub III}{sup +}) and singly positively charged Ga, In vacancies (V{sub III}{sup +}). A new numerical method of solution to the system of diffusion equations, based on the finite difference approximations and Bairstow's method, is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Determination of the thermal diffusivity of bulk and layered samples by time domain thermoreflectance: Interest of lateral heat diffusion investigation in nanoscale time range

We report on thermal investigations performed in a time resolved experimental scheme. The time domain thermoreflectance (TDTR) is applied in an unusual geometry where the pump and probe beams are not superimposed but focused and shifted. In this way, the determination of the in-plane thermal diffusivity is achieved from temperature snapshots at different time delays. In the first part, taking into account the specific generation process and the detection inherent to the time domain thermoreflectance approach, an analytical solution for the temperature field is obtained for bulk samples, and compared to experimental data. A comparison with the frequency domain thermoreflectance microscopy is also outlined. In Part II section, the lateral heat diffusion in a layered structure is investigated. The comparison of the heat diffusion spreading in case of a highly conductive layer deposited on an insulator substrate and the reverse situation are carefully studied. Finally, we show how the time dependence is efficient to probe and identify material thermal properties or thermal interfacial resistance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A localized artificial diffusivity method to simulate compressible multiphase flows using the stiffened gas equation of state: A localized artificial diffusivity method to simulate compressible multiphase flows using the stiffened gas equation of state

The development of numerical approaches to perform direct numerical simulations of compressible multiphase flows has been an active field of research for several years. Proper treatment of fluid interfaces is crucial as important physics occur in this infinitesimally small region. Furthermore, the compressibility of the fluid requires proper treatment of discontinuities. Artificial diffusivity is among a number of methods widely used for compressible flows. This study develops a general form of consistent artificial diffusion fluxes and extends the localized artificial diffusivity method for high-order central schemes to solve multiphase flows with an interface-capturing method. These fluxes ensure an oscillation-free interface for pressure, velocity, and temperature without employing a sharpening technique. Moreover, the high-order representation of all scales in the flow helps capture the wide range of instabilities inherent in these flows. The goal is to develop an approach capable of performing high-fidelity simulations supported by physics-driven validation. lastly, this is achieved by solving the five-equation model with the stiffened-gas equation of state using the proposed method for multicomponent and multiphase flows on a variety of 1D and 2D problems.

42 ENGINEERING↗

Stability analysis of nonlinear two-grid method for multigroup neutron diffusion problems

We present theoretical analysis of a nonlinear acceleration method for solving multigroup neutron diffusion problems. This method is formulated with two energy grids that are defined by (i) fine-energy groups structure and (ii) coarse grid with just a single energy group. The coarse-grid equations are derived by averaging of the multigroup diffusion equations over energy. The method uses a nonlinear prolongation operator. We perform stability analysis of iteration algorithms for inhomogeneous (fixed-source) and eigenvalue neutron diffusion problems. To apply Fourier analysis the equations of the method are linearized about solutions of infinite-medium problems. The developed analysis enables us to predict convergence properties of this two-grid method in different types of problems. Numerical results of problems in 2D Cartesian geometry are presented to confirm theoretical predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Machine Learning Self-Diffusion Prediction for Lennard-Jones Fluids in Pores

Predicting the diffusion coefficient of fluids under nanoconfinement is important for many applications including the extraction of shale gas from kerogen and product turnover in porous catalysts. Due to the large number of important variables, including pore shape and size, fluid temperature and density, and the fluid–wall interaction strength, simulating diffusion coefficients using molecular dynamics (MD) in a systematic study could prove to be prohibitively expensive. Here, we use machine learning models trained on a subset of MD data to predict the self-diffusion coefficients of Lennard-Jones fluids in pores. Our MD data set contains 2280 simulations of ideal slit pore, cylindrical pore, and hexagonal pore geometries. We use the forward feature selection method to determine the most useful features (i.e., descriptors) for developing an artificial neutral network (ANN) model with an emphasis on easily acquired features. Our model shows good predictive ability with a coefficient of determination (i.e., R 2 ) of ~0.99 and a mean squared error of ~2.9 × 10 –5 . Finally, we propose an alteration to our feature set that will allow the ANN model to be applied to nonideal pore geometries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗