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At least 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Diffuse Radiation Forcing Constraints on Gross Primary Productivity and Global Terrestrial Evapotranspiration

Abstract The diffuse radiation fertilization effect—the increase in plant productivity in the presence of higher diffuse radiation ( K ↓,d )—is an important yet understudied aspect of atmosphere‐biosphere interactions and can modify the terrestrial carbon, energy, and water budgets. The K ↓,d fertilization effect links the carbon cycle with clouds and aerosols, all of which are large sources of uncertainties for our current understanding of the Earth system and for future climate projections. Here we establish to what extent observational and modeling uncertainty in sunlight's diffuse fraction ( k d ) affects simulated gross primary productivity (GPP) and terrestrial evapotranspiration ( λE ). We find only 48 eddy covariance sites with simultaneous sufficient measurements of K ↓,d with none in the tropical climate zone, making it difficult to constrain this mechanism globally using observations. Using a land modeling framework based on the latest version of the Community Land Model, we find that global GPP ranges from 114 Pg C year −1 when using k d forcing from the Modern‐Era Retrospective analysis for Research and Applications, version 2 reanalysis to a ∼7% higher value of 122 Pg C year −1 when using the Clouds and the Earth's Radiant Energy System satellite product, with especially strong differences apparent over the tropical region (mean increase ∼9%). The differences in λE , although smaller (−0.4%) due to competing changes in shaded and sunlit leaf transpiration, can be greater than regional impacts of individual forcing agents like aerosols. Our results demonstrate the importance of comprehensively and systematically validating the simulated k d by atmosphere modules as well as the response to differences in k d within land modules across Earth System Models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Observation of a Knotted Electron Diffusion Region in Earth's Magnetotail Reconnection

Magnetic reconnection is a fundamental plasma process that alters the magnetic field topology and releases magnetic energy. Most numerical simulations and spacecraft observations assume a two‐dimensional diffusion region, with the electron diffusion region (EDR) embedded in the same plane as the ion diffusion region (IDR) and a uniform guide field throughout. Using observations from Magnetospheric Multiscale mission, we report a non‐coplanar, knotted EDR in Earth's magnetotail current sheet. The reconnection plane of the knotted EDR deviates by approximately 38° from that of the IDR, with the guide field exhibiting both a 38° directional shift and a twofold increase in amplitude. Moreover, the Hall magnetic field is bipolar in the EDR but quadrupolar in the IDR, indicating different Hall current structures at electron and ion scales. These observations highlight the importance of three‐dimensional effects and illustrate the complexity of multiscale coupling between the EDR and IDR during reconnection studies.

diffusion region↗
DOE OSTI2018

Overcoming diffusion-related limitations in semiconductor defect imaging with phonon-plasmon-coupled mode Raman scattering

Carrier diffusion is of paramount importance in many semiconductor devices, such as solar cells, photodetectors, and power electronics. Structural defects prevent such devices from reaching their full performance potential. Although a large carrier diffusion length indicates high material quality, it also implies increased carrier depletion by an individual extended defect (for instance, a dislocation) and obscures the spatial resolution of neighboring defects using optical techniques. For commonly utilized photoluminescence (PL) imaging, the spatial resolution is dictated by the diffusion length rather than by the laser spot size, no matter the spot is at or below the diffraction limit. We show how Raman imaging of the LO phonon-plasmon-coupled mode can be used to recover the intrinsic spatial resolution of the optical system, and we demonstrate the effectiveness of the technique by imaging defects in GaAs with diffraction-limited optics, achieving a 10-fold improvement in resolution. Furthermore, by combining Raman and PL imaging, we can independently and simultaneously determine the spatial dependence of the electron density, hole density, radiative recombination rate, and non-radiative recombination rate near a dislocation-like defect, which has not been possible using other techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

The arbitrary order mixed mimetic finite difference method for the diffusion equation

Here, we propose an arbitrary-order accurate mimetic finite difference (MFD) method for the approximation of diffusion problems in mixed form on unstructured polygonal and polyhedral meshes. As usual in the mimetic numerical technology, the method satisfies local consistency and stability conditions, which determines the accuracy and the well-posedness of the resulting approximation. The method also requires the definition of a high-order discrete divergence operator that is the discrete analog of the divergence operator and is acting on the degrees of freedom. The new family of mimetic methods is proved theoretically to be convergent and optimal error estimates for flux and scalar variable are derived from the convergence analysis. A numerical experiment confirms the high-order accuracy of the method in solving diffusion problems with variable diffusion tensor. It is worth mentioning that the approximation of the scalar variable presents a superconvergence effect.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Magnetic flux and heat losses by diffusive, advective, and Nernst effects in MagLIF-like plasma

The MagLIF approach to inertial confinement fusion involves subsonic/isobaric compression and heating of a DT plasma with frozen-in magnetic flux by a heavy cylindrical liner. The losses of heat and magnetic flux from the plasma to the liner are thereby determined by plasma advection and gradient-driven transport processes, such as thermal conductivity, magnetic field diffusion and thermomagnetic effects. Theoretical analysis based on obtaining exact self-similar solutions of the classical collisional Braginskii's plasma transport equations in one dimension demonstrates that the heat loss from the hot plasma to the cold liner is dominated by the transverse heat conduction and advection, and the corresponding loss of magnetic flux is dominated by advection and the Nernst effect. For a large electron Hall parameter ω{sub e}τ{sub e} effective diffusion coefficients determining the losses of heat and magnetic flux are both shown to decrease with ω{sub e}τ{sub e} as does the Bohm diffusion coefficient, which is commonly associated with low collisionality and two-dimensional transport. This family of exact solutions can be used for verification of codes that model the MagLIF plasma dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Diffusion phenomenon at the interface of Cu-brass under a strong gravitational field

To investigate diffusion phenomenon at the interface between Cu and brass under a strong gravitational field generated by ultracentrifuge apparatus, we performed gravity experiments on samples prepared by electroplating with interfaces normal and parallel to the direction of gravity. For the parallel-mode sample, for which sedimentation cannot occur thorough the interface, the concentration change was significant within the lower gravity region; many pores were observed in this region. Many vacancies arising from crystal strain due to the strong gravitational field moved into the lower gravity region, and enhanced the atoms mobilities. For the two normal-mode samples, which have interface normal to the direction of gravity, the composition gradient of the brass-on-Cu sample was steeper than that for Cu-on-brass. This showed that the atoms of denser Cu diffuse in the direction of gravity, whereas Zn atoms diffuse in the opposite direction by sedimentation. The interdiffusion coefficients became higher in the Cu-on-brass sample, and became lower in the brass-on-Cu sample. This rise may be related to the behavior of the vacancies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Magnetic flux and heat losses by diffusive, advective, and Nernst effects in magnetized liner inertial fusion-like plasma

The magnetized liner inertial fusion (MagLIF) approach to inertial confinement fusion [Slutz et al., Phys. Plasmas 17, 056303 (2010); Cuneo et al., IEEE Trans. Plasma Sci. 40, 3222 (2012)] involves subsonic/isobaric compression and heating of a deuterium-tritium plasma with frozen-in magnetic flux by a heavy cylindrical liner. The losses of heat and magnetic flux from the plasma to the liner are thereby determined by plasma advection and gradient-driven transport processes, such as thermal conductivity, magnetic field diffusion, and thermomagnetic effects. Theoretical analysis based on obtaining exact self-similar solutions of the classical collisional Braginskii's plasma transport equations in one dimension demonstrates that the heat loss from the hot compressed magnetized plasma to the cold liner is dominated by transverse heat conduction and advection, and the corresponding loss of magnetic flux is dominated by advection and the Nernst effect. For a large electron Hall parameter (ω{sub e}τ{sub e}≫1), the effective diffusion coefficients determining the losses of heat and magnetic flux to the liner wall are both shown to decrease with ω{sub e}τ{sub e} as does the Bohm diffusion coefficient cT/(16eB), which is commonly associated with low collisionality and two-dimensional transport. We demonstrate how this family of exact solutions can be used for verification of codes that model the MagLIF plasma dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Jump rates for surface diffusion of large molecules from first principles

We apply a recently developed stochastic model for the surface diffusion of large molecules to calculate jump rates for 9,10-dithioanthracene on a Cu(111) surface. The necessary input parameters for the stochastic model are calculated from first principles using density functional theory (DFT). We find that the inclusion of van der Waals corrections to the DFT energies is critical to obtain good agreement with experimental results for the adsorption geometry and energy barrier for diffusion. The predictions for jump rates in our model are in excellent agreement with measured values and show a marked improvement over transition state theory (TST). We find that the jump rate prefactor is reduced by an order of magnitude from the TST estimate due to frictional damping resulting from energy exchange with surface phonons, as well as a rotational mode of the diffusing molecule.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields

Past scanning tunneling microscopy (STM) experiments of H manipulation on Pd(111), at low temperature, have shown that it is possible to induce diffusion of surface species as well as of those deeply buried under the surface. Several questions remain open regarding the role of subsurface site occupancies. In the present work, the interaction potential of H atoms with Pd(111) under various H coverage conditions is determined by means of density functional theory calculations in order to provide an answer to two of these questions: (i) whether subsurface sites are the final locations for the H impurities that attempt to emerge from bulk regions, and (ii) whether penetration of the surface is a competing route of on-surface diffusion during depletion of surface H on densely covered Pd(111). We find that a high H coverage has the effect of blocking resurfacing of H atoms travelling from below, which would otherwise reach the surface fcc sites, but it hardly alters deeper diffusion energy barriers. Penetration is unlikely and restricted to high occupancies of hcp hollows. In agreement with experiments, the Pd lattice expands vertically as a consequence of H atoms being blocked at subsurface sites, and surface H enhances this expansion. STM tip effects are included in the calculations self-consistently as an external static electric field. The main contribution to the induced surface electric dipoles originates from the Pd substrate polarisability. We find that the electric field has a non-negligible effect on the H-Pd potential in the vicinity of the topmost Pd atomic layer, yet typical STM intensities of 1-2 VÅ{sup −1} are insufficient to invert the stabilities of the surface and subsurface equilibrium sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Concentration-dependent self-diffusion coefficients in amorphous Si{sub 1−x}Ge{sub x} solid solutions: An interdiffusion study

Self-diffusion coefficients of Si and Ge in amorphous Si{sub 1−x}Ge{sub x} (a-Si{sub 1−x}Ge{sub x}) solid solutions were determined quantitatively in the temperature range of 440 °C – 460 °C by the investigation of interdiffusion in amorphous Si/Si{sub 0.52}Ge{sub 0.48} multilayers using Auger electron spectroscopy sputter-depth profiling. The determined concentration dependent self-diffusion coefficients of Si and Ge in a-Si{sub 1−x}Ge{sub x} with 0 ≤ x ≤ 0.48 at. % Ge are about ten orders of magnitude larger than in the corresponding crystalline phases, due to the inherent, excess free volume in the amorphous phase. The self-diffusion coefficient of Si (or Ge) in a-Si{sub 1−x}Ge{sub x} increases in association with a decreasing activation enthalpy with increasing Ge concentration. This concentration dependence has been related to an overall decrease of the average bond strength with increasing Ge concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The temperature-dependent diffusion coefficient of helium in zirconium carbide studied with first-principles calculations

The temperature-dependent diffusion coefficient of interstitial helium in zirconium carbide (ZrC) matrix is calculated based on the transition state theory. The microscopic parameters in the activation energy and prefactor are obtained from first-principles total energy and phonon frequency calculations including the all atoms. The obtained activation energy is 0.78 eV, consistent with experimental value. Besides, we evaluated the influence of C and Zr vacancies as the perturbation on helium diffusion, and found the C vacancy seems to confine the mobility of helium and the Zr vacancy promotes helium diffusion in some extent. These results provide a good reference to understand the behavior of helium in ZrC matrix.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Josephson phase diffusion in the superconducting quantum interference device ratchet

We study diffusion of the Josephson phase in the asymmetric superconducting quantum interference device (SQUID) subjected to a time-periodic current and pierced by an external magnetic flux. We analyze a relation between phase diffusion and quality of transport characterized by the dc voltage across the SQUID and efficiency of the device. In doing so, we concentrate on the previously reported regime [J. Spiechowicz and J. Łuczka, New J. Phys. 17, 023054 (2015)] for which efficiency of the SQUID attains a global maximum. For long times, the mean-square displacement of the phase is a linear function of time, meaning that diffusion is normal. Its coefficient is small indicating rather regular phase evolution. However, it can be magnified several times by tailoring experimentally accessible parameters like amplitudes of the ac current or external magnetic flux. Finally, we prove that in the deterministic limit this regime is essentially non-chaotic and possesses an unexpected simplicity of attractors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Contribution to an effective design method for stationary reaction-diffusion patterns

The British mathematician Alan Turing predicted, in his seminal 1952 publication, that stationary reaction-diffusion patterns could spontaneously develop in reacting chemical or biochemical solutions. The first two clear experimental demonstrations of such a phenomenon were not made before the early 1990s when the design of new chemical oscillatory reactions and appropriate open spatial chemical reactors had been invented. Yet, the number of pattern producing reactions had not grown until 2009 when we developed an operational design method, which takes into account the feeding conditions and other specificities of real open spatial reactors. Since then, on the basis of this method, five additional reactions were shown to produce stationary reaction-diffusion patterns. To gain a clearer view on where our methodical approach on the patterning capacity of a reaction stands, numerical studies in conditions that mimic true open spatial reactors were made. In these numerical experiments, we explored the patterning capacity of Rabai's model for pH driven Landolt type reactions as a function of experimentally attainable parameters that control the main time and length scales. Because of the straightforward reversible binding of protons to carboxylate carrying polymer chains, this class of reaction is at the base of the chemistry leading to most of the stationary reaction-diffusion patterns presently observed. We compare our model predictions with experimental observations and comment on agreements and differences.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

The evolution of the ion diffusion region during collisionless magnetic reconnection in a force-free current sheet

Two-dimensional particle-in-cell simulation is performed to investigate magnetic reconnection in a force-free current sheet. The results show that the evolution of the ion diffusion region has two different phases. In the first phase, the electrons flow toward the X line along one pair of separatrices and away from the X line along the other pair of separatrices. Therefore, in the ion diffusion region, a distorted quadrupole structure of the out-of-plane magnetic field is formed, which is similar to that of a typical guide field reconnection in the Harris current sheet. In the second phase, the electrons move toward the X line along the separatrices and then flow away from the X line at the inner side of the separatrices. In the ion diffusion region, the out-of-plane magnetic field exhibits a characteristic quadrupole pattern with a good symmetry, which is similar to that of antiparallel reconnection in the Harris current sheet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Region-of-interest diffuse optical tomography system

Diffuse optical tomography (DOT) using near-infrared light is a promising tool for non-invasive imaging of deep tissue. This technique is capable of quantitative reconstruction of absorption (μ{sub a}) and scattering coefficient (μ{sub s}) inhomogeneities in the tissue. The rationale for reconstructing the optical property map is that the absorption coefficient variation provides diagnostic information about metabolic and disease states of the tissue. The aim of DOT is to reconstruct the internal tissue cross section with good spatial resolution and contrast from noisy measurements non-invasively. We develop a region-of-interest scanning system based on DOT principles. Modulated light is injected into the phantom/tissue through one of the four light emitting diode sources. The light traversing through the tissue gets partially absorbed and scattered multiple times. The intensity and phase of the exiting light are measured using a set of photodetectors. The light transport through a tissue is diffusive in nature and is modeled using radiative transfer equation. However, a simplified model based on diffusion equation (DE) can be used if the system satisfies following conditions: (a) the optical parameter of the inhomogeneity is close to the optical property of the background, and (b) μ{sub s} of the medium is much greater than μ{sub a} (μ{sub s} > > μ{sub a}). The light transport through a highly scattering tissue satisfies both of these conditions. A discrete version of DE based on finite element method is used for solving the inverse problem. The depth of probing light inside the tissue depends on the wavelength of light, absorption, and scattering coefficients of the medium and the separation between the source and detector locations. Extensive simulation studies have been carried out and the results are validated using two sets of experimental measurements. The utility of the system can be further improved by using multiple wavelength light sources. In such a scheme, the spectroscopic variation of absorption coefficient in the tissue can be used to arrive at the oxygenation changes in the tissue.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Pyridine adsorption and diffusion on Pt(111) investigated with density functional theory

The adsorption, diffusion, and dissociation of pyridine, C{sub 5}H{sub 5}N, on Pt(111) are investigated with van der Waals-corrected density functional theory. An elaborate search for local minima in the adsorption potential energy landscape reveals that the intact pyridine adsorbs with the aromatic ring parallel to the surface. Piecewise interconnections of the local minima in the energy landscape reveal that the most favourable diffusion path for pyridine has a barrier of 0.53 eV. In the preferred path, the pyridine remains parallel to the surface while performing small single rotational steps with a carbon-carbon double bond hinged above a single Pt atom. The origin of the diffusion pathway is discussed in terms of the C{sub 2}–Pt π-bond being stronger than the corresponding CN–Pt π-bond. The energy barrier and reaction enthalpy for dehydrogenation of adsorbed pyridine into an adsorbed, upright bound α-pyridyl species are calculated to 0.71 eV and 0.18 eV, respectively (both zero-point energy corrected). The calculations are used to rationalize previous experimental observations from the literature for pyridine on Pt(111).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗