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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A Second Moment Method for k -Eigenvalue Acceleration with Continuous Diffusion and Discontinuous Transport Discretizations

The second moment method is a linear acceleration technique that couples the transport equation to a diffusion equation with transport-dependent additive closures. The resulting low-order diffusion equation can be discretized independent of the transport discretization, unlike diffusion synthetic acceleration, and is symmetric positive definite, unlike quasidiffusion. While this method has been shown to be comparable to quasidiffusion in iterative performance for fixed source and time-dependent problems, it is largely unexplored as an eigenvalue problem acceleration scheme due to the belief that the resulting inhomogeneous source makes the problem ill posed. Recently, a preliminary feasibility study was performed on the second moment method for eigenvalue problems. The results suggested comparable performance to quasidiffusion and more robust performance than diffusion synthetic acceleration. This work extends the initial study to more realistic reactor problems using state-of-the-art discretization techniques. Finally, the results in this paper show that the second moment method is more computationally efficient than its alternatives on complex reactor problems with unstructured meshes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Search for a diffuse flux of photons with energies above tens of PeV at the Pierre Auger Observatory

Diffuse photons of energy above 0.1 PeV, produced through the interactions between cosmic rays and either interstellar matter or background radiation fields, are powerful tracers of the distribution of cosmic rays in the Galaxy. Furthermore, the measurement of a diffuse photon flux would be an important probe to test models of super-heavy dark matter decaying into gamma-rays. In this work, we search for a diffuse photon flux in the energy range between 50 PeV and 200 PeV using data from the Pierre Auger Observatory. For the first time, we combine the air-shower measurements from a 2 km 2 surface array consisting of 19 water-Cherenkov surface detectors, spaced at 433 m, with the muon measurements from an array of buried scintillators placed in the same area. Using 15 months of data, collected while the array was still under construction, we derive upper limits to the integral photon flux ranging from 13.3 to 13.8 km -2 sr -1 yr -1 above tens of PeV. We extend the Pierre Auger Observatory photon search program towards lower energies, covering more than three decades of cosmic-ray energy. This work lays the foundation for future diffuse photon searches: with the data from the next 10 years of operation of the Observatory, this limit is expected to improve by a factor of ∼20.

cosmic rays detectors↗
DOE OSTI2026

Effect of controlled magnetic island bifurcation on electron diffusion

Magnetic islands strongly influence cross-field electron transport in magnetized plasmas. In particular, bifurcations of the island topology modify the number and location of O-points, X-points, and separatrix boundaries, thereby altering diffusion pathways. In recent DIII-D experiments, external magnetic perturbations were used to rotate and periodically bifurcate the island on the q = 2 surface, causing a switchback between a q = 2/1-dominated structure and a narrower q = 4/2-dominated structure. To investigate how this topological change affects electron transport, we employ the field line tracing code TRIP3D with an implemented collisional operator. Thermal, tracer electrons launched from O-points, X-points, and outside separatrix boundaries reveal distinct diffusion regimes, including classical, subdiffusive, and superdiffusive behavior, depending on both the dominant island mode and launch location. These results suggest that island bifurcation can alter electron diffusion across rational surfaces, with direct implications for particle confinement. While the present work emphasizes diffusion as a general framework, the findings provide insight into the conditions under which electron trapping into an island or stochastization of the island's separatrix can enable additional mechanisms, such as the generation of energetic electrons.

DIII-D↗
DOE OSTI2026

Observation of the Jet Diffusion Wake Using Dijets in Heavy-Ion Collisions

Energetic quarks and gluons traversing a hot and dense quark-gluon plasma deposit energy and momentum into the medium before hadronizing to collimated sprays of particles, known as jets. This energy-momentum deposition is expected to produce medium responses, collectively known as jet wakes, with “diffusion wake” denoting a depletion of particles in the direction opposite to the propagating jet. The diffusion wake is studied by comparing dijet-hadron correlations measured in lead-lead (PbPb) and proton-proton (pp) collisions. The analysis uses PbPb and pp data recorded at a nucleon-nucleon (NN) center-of-mass energy s NN = 5.02 TeV with the CMS detector at the CERN LHC. By exploring how the dijet-hadron correlation distributions differ for various pseudorapidity separations of the two jets in the dijet, the presence of a jet diffusion wake is firmly established. The diffusion wake signal has a significance greater than 5 standard deviations for charged particles in the transverse momentum range 1 < p T < 2 GeV . The measurements are compared with model predictions with and without jet wake effects, providing new insights into quark-gluon plasma properties and the formation of jet-induced wakes.

Hayrapetyan, Aram [Yerevan Phys. Inst.]↗
DOE OSTI2026

Langevin and Fokker-Planck analyses for diffusion-mediated passing of circular and discorectangular species in two-dimensional channels

The propensity for pairs of diffusing species to pass each other within narrow channels or pores is of basic interest as a first-passage-type problem. It is also of relevance for solution-phase transport in nanoporous materials, and in particular for catalytic conversion reactions where high yield requires that product species can efficiently pass reactant species to exit the pores. Here, we analyze a two-dimensional model with nonoverlapping circular and discorectangular species confined to a rectangular channel, and where passing is mediated by Brownian dynamics in an implicit solvent. For narrower channels where passing is still possible, the discorectangle must align with the channel to pass the circular species. Behavior of the passing propensity, 𝑃, can be assessed by strongly damped Langevin simulations, or within an equivalent Fokker-Planck equation (FPE) formalism. The latter corresponds to a diffusion problem in a “higher-dimensional channel” with a constriction. We assess the variation of the passing propensity, 𝑃, for a broad range of channel width including its scaling just above the threshold where passing is sterically blocked. Analysis of 𝑃 versus the rotational diffusion coefficient 𝐷 𝑟 of the discorectangle reveals a significant decrease in 𝑃 for lower 𝐷 𝑟 for moderate channel width. This prompts a direct analysis of the regime where 𝐷 𝑟 → 0 , for which the FPE can be reduced to a three-dimensional diffusion problem, precise analysis of which is facilitated by adaptive-mesh finite element methods. The dependence of 𝑃 on the aspect ratio of the discorectangle is also assessed.

Rahman, Md Khaledur [Ames Laboratory (AMES), Ames,↗
DOE OSTI2020

Diffusive hydrodynamics from integrability breaking

We describe here the crossover from generalized to conventional hydrodynamics in nearly integrable systems. Integrable systems have infinitely many conserved quantities, which spread ballistically, in general. When integrability is broken, only a few of these conserved quantities survive. The remaining conserved quantities are generically transported diffusively; we further derive a compact and general diffusion equation for these. The diffusion constant depends on the matrix elements of the integrability-breaking perturbation; for a certain class of integrability-breaking perturbations, including long-range interactions, the diffusion constant can be expressed entirely in terms of generalized hydrodynamic data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Dynamics of the O ( 4 ) critical point in QCD: Critical pions and diffusion in model G

We present a detailed study of the finite momentum dynamics of the O ( 4 ) critical point of QCD, which lies in the dynamic universality class of “model G.” The critical scaling of the model is analyzed in multiple dynamical channels. For instance, the finite momentum analysis allows us to precisely extract the pion dispersion curve below the critical point. The pion velocity is in striking agreement with the predictions relation and static universality. The pion damping rate and velocity are both consistent with the dynamical critical exponent ζ = 3 / 2 of model G. Similarly, although the critical amplitude for the diffusion coefficient of the conserved O ( 4 ) charges is small, it is clearly visible both in the restored phase and with finite explicit symmetry breaking, and its dynamical scaling is again consistent with ζ = 3 / 2 . We determine a new set of universal dynamical critical amplitude ratios relating the diffusion coefficient to a suitably defined order parameter relaxation time. We also show that in a finite volume simulation, the chiral condensate diffuses on the coset manifold in a manner consistent with dynamical scaling, and with a diffusion coefficient that is determined by the transport coefficients of hydrodynamic pions. Finally, the amplitude ratios (together with other nonuniversal amplitudes also reported here) compile all relevant information for further studies of model G both in and out of equilibrium. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Visualizing Anisotropic Oxygen Diffusion in Ceria under Activated Conditions

Oxygen reactivity plays a key role in the performance of ceria-based catalysts. Aberration-corrected transmission electron microscopy and molecular dynamics simulations were used to study the oxygen atom diffusion in ceria under activated conditions. Reactive oxygen atom and its real-time diffusion were visualized. Additionally, the interplay between cerium and oxygen atoms originating from a Coulomb interaction was revealed by the out-of-plane buckling of cerium atoms associated with oxygen transport. Anisotropic oxygen atom diffusion that depends on crystal orientations was discovered, demonstrating a preferential [001] crystallographic diffusion pathway. These findings reveal prospects for applications of anisotropic orientation-relevant fluorite-structured oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Universal Anomalous Diffusion of Quantized Vortices in Ultraquantum Turbulence

In classical viscous fluids, turbulent eddies are known to be responsible for the rapid spreading of embedded particles. However, in inviscid quantum fluids where the turbulence is induced by a chaotic tangle of quantized vortices, dispersion of the particles can be achieved via a nonclassical mechanism, i.e., their binding to the evolving vortices. However, knowledge on how the vortices diffuse and spread in quantum-fluid turbulence is very limited, especially for the so-called ultraquantum turbulence (UQT) generated by a random tangle of vortices. Here we report a systematic numerical study of the apparent diffusion of vortices in UQT in superfluid helium-4 using the full Biot-Savart simulation. We reveal that the vortices in the superfluid exhibit a universal anomalous diffusion (superdiffusion) at small times, which transits to normal diffusion at large times. This behavior is found to be the result of a generic scaling property of the vortex velocity. Our simulation at finite temperatures also nicely reproduces recent experimental observations. Lastly, the knowledge obtained from this study may form the base for understanding turbulent transport and universal vortex dynamics in various quantum fluids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Cross-Modal Guidance for Fast Diffusion-Based Computed Tomography

Diffusion models have emerged as powerful priors for solving inverse problems in computed tomography (CT). In certain applications, such as neutron CT, it can be expensive to collect large amounts of measurements even for a single scan leading to sparse data sets from which it is challenging to obtain high quality reconstructions even with diffusion models. One strategy to mitigate this challenge is to leverage a complementary, easily available imaging modality; however, such approaches typically require retraining the diffusion model with large datasets. In this work, we propose incorporating an additional modality without retraining the diffusion prior, enabling accelerated imaging of costly modalities. We further examine the impact of imperfect side modalities on cross-modal guidance. Our method is evaluated on sparse-view neutron computed tomography, where reconstruction quality is substantially improved by incorporating X-ray computed tomography of the same samples.

Efimov, Timofey [ORNL] (ORCID:000900090098471X)↗
DOE OSTI2020

Insights into Na + Diffusion in Silicon Modules under Operating Conditions: Measuring Low Concentrations by D-SIMS

Sodium induced shunting under an electric field is a challenging reliability issue in crystalline Si solar modules. The source of this Potential-Induced Degradation of the Shunting type (PID-s) is well understood and its influence on power loss has been intensively studied based on phenomenological models on cell or module level relating the experimental power-loss to stressing parameters (time, temperature, voltage). However, little is known about the Na ion migration kinetics, responsible for PID on a microscopic level, and its quantitative relation to the efficiency degradation. In this paper we present our investigations of sodium ion migration in Ethylene-Vinyl Acetate (EVA) and silicon through Dynamic Secondary Ion Mass Spectroscopy (D-SIMS). Each sample was annealed at field relevant temperatures from 60-90 °C to address typical migration mechanisms of common PV installations. Analysis of the SIMS migration profiles revealed a diffusivity constant D 0,EVA = 0.09 ± 0.14 cm 2 /s and an activation energy E A,EVA = 0.85 ± .04 eV for Na in EVA and diffusivities higher than extrapolated literature values in silicon (D 0,Si = (3.03 ± 2.42)x10 -5 cm 2 /s, and E A,Si = 0.98 ± 0.02 eV). The new insight will be included in a drift-diffusion based degradation model accounting for the partition coefficient across all relevant interfaces. This model can assist in predicting PID-failure in the field based on the given model stack and the diffusion of Na + through each material. Furthermore, this tool can be used for process optimization as well as material selection significantly reducing the cost and time to validate a technology.

14 SOLAR ENERGY↗
DOE OSTI2021

Leveraging Topological Events in Tracking Graphs for Understanding Particle Diffusion

Abstract Single particle tracking (SPT) of fluorescent molecules provides significant insights into the diffusion and relative motion of tagged proteins and other structures of interest in biology. However, despite the latest advances in high‐resolution microscopy, individual particles are typically not distinguished from clusters of particles. This lack of resolution obscures potential evidence for how merging and splitting of particles affect their diffusion and any implications on the biological environment. The particle tracks are typically decomposed into individual segments at observed merge and split events, and analysis is performed without knowing the true count of particles in the resulting segments. Here, we address the challenges in analyzing particle tracks in the context of cancer biology. In particular, we study the tracks of KRAS protein, which is implicated in nearly 20% of all human cancers, and whose clustering and aggregation have been linked to the signaling pathway leading to uncontrolled cell growth. We present a new analysis approach for particle tracks by representing them as tracking graphs and using topological events – merging and splitting, to disambiguate the tracks. Using this analysis, we infer a lower bound on the count of particles as they cluster and create conditional distributions of diffusion speeds before and after merge and split events. Using thousands of time‐steps of simulated and in‐vitro SPT data, we demonstrate the efficacy of our method, as it offers the biologists a new, detailed look into the relationship between KRAS clustering and diffusion speeds.

McDonald, T.↗
DOE OSTI2021

Amino Acids Dominate Diffusive Nitrogen Fluxes in Acidic Tussock Tundra

Organic nitrogen (N) is abundant in soils, but early conceptual frameworks considered it nonessential for plant growth. It is now well recognised that plants have the potential to take up organic N. However, it is still unclear whether plants supplement their N requirements by taking up organic N in situ: at what rate is organic N diffusing towards roots and are plants taking it up? In this work, we combined microdialysis with live-root uptake experiments to measure amino acid speciation and diffusion rates towards roots of Eriophorum vaginatum. Amino acid diffusion rates (321 ng N cm -2 h -1 ) were c. 3× higher than those for inorganic N. Positively charged amino acids made up 68% of the N diffusing through soils compared with neutral and negatively charged amino acids. Live-root uptake experiments confirmed that amino acids are taken up by plants (up to 1 µg N g -1 min -1 potential net uptake). Amino acids must be considered when forecasting plant-available N, especially when they dominate the N supply, and when acidity favours proteolysis over net N mineralisation. Determining amino acid production pathways and supply rates will become increasingly important in projecting the extent and consequences of shrub expansion, especially considering the higher C : N ratio of plants relative to soil.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Kinetic Parameters and Diffusivity of Uranium in FLiNaK and ClLiK

Anodic stripping voltammetry (ASV) and cyclic voltammetry (CV) measurements at 773, 823, and 873 K were made of uranium trifluoride (UF 3 ) in lithium fluoride-sodium fluoride-potassium fluoride eutectic (FLiNaK) and uranium trichloride (UCl 3 ) in lithium chloride-potassium chloride eutectic (ClLiK). ASV data were used to estimate the charge transfer coefficients, exchange current densities, and activation energies of the uranium reactions. Charge transfer coefficients of both salt systems were within the range of 0.17 to 0.38. Exchange current densities in the fluoride and chloride salts were estimated within the range of 0.060 to 0.12 A cm -2 . Activation energy of uranium exchange current was 16.0 kJ mol -1 in the fluoride salt and 28.9 kJ mol -1 in the chloride salt. Kinetics of charge transfer were found to be faster in FLiNaK. Analyses of the CV data suggest the electrochemical system was diffusion controlled and irreversible in the chloride and fluoride salt mixtures. Diffusion coefficients of uranium in the range of temperatures were on the order of 10-5 cm 2 s -1 in both systems. Greater values of diffusivity in ClLiK are attributed to its lower density compared with FLiNaK. Activation energy of uranium diffusion in the fluoride and chloride salt mixtures were 53.4 and 89.4 kJ mol -1 , respectively.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Spatiotemporal Visualization and Chemical Identification of the Metal Diffusion Layer at the Electrochemical Interface

The diffusion layer created by transition metal dissolution is ubiquitous at the electrochemical solid-liquid interface and plays a key role in determining electrochemical performance. Tracking the spatiotemporal dynamics of the diffusion layer has remained an unresolved challenge. With spatially resolved synchrotron X-ray fluorescence microscopy and micro-X-ray absorption spectroscopy, we demonstrate the in situ visualization and chemical identification of the dynamic diffusion layer near the electrode surface under electrochemical operating conditions. Finally, our method allows for direct mapping of the reactive electrochemical interface and provides insights into engineering the diffusion layer for improving electrochemical performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Integration of a transonic high-pressure turbine with a rotating detonation combustor and a diffuser

Abstract In this paper, a diffuser is used to integrate a transonic high-pressure turbine with a rotating detonation combustor (RDC). The paper focuses on the required design modifications to the turbine endwalls (EW) to enable high efficiency, while preserving the airfoil blade-to-blade geometry. The main challenge is the stator passage unstarting, due to the high inlet Mach number. First of all, steady Reynolds Averaged Navier Stokes simulations were performed to compare the efficiency of turbines with constant-radius EWs to turbines with axisymmetric EWs. A modified EW design prevented the unstarting of the stator passage, enabling a significant gain in performance. Afterward, the influence on the turbine efficiency and damping due to the unsteadiness from the diffuser-like fluctuations of the RDC was evaluated with unsteady Reynolds Averaged Navier Stokes simulations with a mixing plane approach (MPA). Full unsteady simulations were carried out on selected inlet conditions and compared to the mixing plane results. This parametric study provides turbine designers with recommended diffusion rates along the vane EWs. Additionally, we provide guidance on the upstream diffuser design, specifically the required damping and outlet Mach number.

Engineering↗
DOE OSTI2021

Numerical Diffusion (Mixing) of Material in Numerical Simulations of Hydrodynamics [Slides]

It is often assumed that a material interface between two materials is spread over a few numerical cells in numerical simulations for hydrodynamics. Also, we have the impression that higher order methods introduce less numerical diffusion (mixing) of material. As we know one of the purposes of adaptive mesh refinement (AMR) is to resolve interfaces between materials, but we would like to know how effective AMR is to reduce numerical diffusion of material. We will present our investigation about numerical diffusion (mixing) of material in xRage. The result of the investigation indicates that the assumptions mentioned above are not always valid. In this talk, we will also demonstrate the effectiveness of numerical techniques to reduce numerical diffusion of material, including contact discontinuity steepening, isotropic interface steepening, max interface steepening, material interface reconstruct.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Simulating Dopant Diffusion in a Detalied Porous Structure

The National Ignition Facility (NIF) at Lawrence Livermore National Laboratory (LLNL) uses highpowered lasers to explore cutting edge fusion technology. Specialized optics, known as fiber lasers, generate and amplify the NIF’s high-powered lasers that facilitate fusion experiments. Fiber lasers are glass fibers that are doped with heavy elements to stimulate light emission. The fiber laser doping processing uses a predeposited layer of porous silica nanoparticles on the surface of the glass to absorb a dopant rich salt solution. Our project simulated the diffusion of dopants into porous silica with prescribed colloidal stacking geometries using COMSOL Multiphysics. With these simulations we identified the porosity and tortuosity of the porous nanoparticle structures as the primary parameters that will dictate how the dopants will diffusive into the porous surface of the glass. Porosity and Tortuosity are geometric parameters that can easily be input into more detailed simulations to estimate an effective diffusivity within the porous layer. Future work should account for surface reactions to accurately simulate the full-scale diffusion of the solution doping process.

36 MATERIALS SCIENCE↗