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Results for “generative diffusion”

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NASA NTRS1979

Gas diffusion liquid storage bag and method of use for storing blood

The shelf life of stored whole blood may be doubled by adding a buffer which maintains a desired pH level. However, this buffer causes the generation of CO2 which, if not removed at a controlled rate, causes the pH value of the blood to decrease, which shortens the useful life of the blood. A blood storage bag is described which permits the CO2 to be diffused out at a controlled rate into the atmosphere, thereby maintaining the desired pH value and providing a bag strong enough to permit handling.

Bank, H.↗

NASA NTRS1981

Assessment of disk MHD generators for a base load powerplant

Results from a study of the disk MHD generator are presented. Both open and closed cycle disk systems were investigated. Costing of the open cycle disk components (nozzle, channel, diffuser, radiant boiler, magnet and power management) was done. However, no detailed costing was done for the closed cycle systems. Preliminary plant design for the open cycle systems was also completed. Based on the system study results, an economic assessment of the open cycle systems is presented. Costs of the open cycle disk conponents are less than comparable linear generator components. Also, costs of electricity for the open cycle disk systems are competitive with comparable linear systems. Advantages of the disk design simplicity are considered. Improvements in the channel availability or a reduction in the channel lifetime requirement are possible as a result of the disk design.

Chubb, D. L.↗

DOE OSTI2013

MAGNETIC WREATHS AND CYCLES IN CONVECTIVE DYNAMOS

Solar-type stars exhibit a rich variety of magnetic activity. Seeking to explore the convective origins of this activity, we have carried out a series of global three-dimensional magnetohydrodynamic simulations with the anelastic spherical harmonic code. Here we report on the dynamo mechanisms achieved as the effects of artificial diffusion are systematically decreased. The simulations are carried out at a nominal rotation rate of three times the solar value (3 {Omega}{sub Sun }), but similar dynamics may also apply to the Sun. Our previous simulations demonstrated that convective dynamos can build persistent toroidal flux structures (magnetic wreaths) in the midst of a turbulent convection zone and that high rotation rates promote the cyclic reversal of these wreaths. Here we demonstrate that magnetic cycles can also be achieved by reducing the diffusion, thus increasing the Reynolds and magnetic Reynolds numbers. In these more turbulent models, diffusive processes no longer play a significant role in the key dynamical balances that establish and maintain the differential rotation and magnetic wreaths. Magnetic reversals are attributed to an imbalance in the poloidal magnetic induction by convective motions that is stabilized at higher diffusion levels. Additionally, the enhanced levels of turbulence lead to greater intermittency in the toroidal magnetic wreaths, promoting the generation of buoyant magnetic loops that rise from the deep interior to the upper regions of our simulated domain. The implications of such turbulence-induced magnetic buoyancy for solar and stellar flux emergence are also discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Temperature-dependent Battery Performance of a Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT Cathode and In-situ Heat Generation on Cycling

Excellent structural stability, high operating voltage, and high capacity have made Na 3 V 2 (PO 4 ) 2 F 3 a promising cathode material for sodium-ion batteries. However, high-temperature battery performances and heat generation measurements have not been systematically reported yet. Carbon-coated Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT (multi-walled carbon nanotube) samples are fabricated by a hydrothermal-assisted sol-gel method and the electrochemical performances are evaluated at three different temperatures (25, 45, and 55 °C). Furthermore, the well-crystallized Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT samples exhibit good cycling stability at both low and high temperatures; they deliver an initial discharge capacity of 120–125 mAhg -1 at a 1 C rate with a retention of 53 % capacity after 1,400 cycles with 99 % columbic efficiency. The half-cell delivers a capacity of 100 mAhg -1 even at a high rate of 10 C at room temperature. Furthermore, the Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT samples show good long-term durability; the capacity loss is an average of 0.05 % per cycle at a 1 C rate at 55 °C. Additionally, ionic diffusivity and charge transfer resistance are evaluated as functions of state of charge, and they explain the high electrochemical performance of the Na 3 V 2 (PO 4 ) 2 F 3 @MWCNT samples. In-situ heat generation measurements reveal reversible results upon cycling owing to the high structural stability of the material. Excellent electrochemical performances are also demonstrated in the full-cell configuration with hard carbon as well as antimony Sb/C anodes.

25 ENERGY STORAGE↗

NASA NTRS2004

Polar Plasma Wave Investigation Data Analysis in the Extended Mission

The low latitude boundary layer (LLBL) is a region where solar wind momentum and energy is transferred to the magnetosphere. Enhanced "broadband" electric plasma waves from less than 5 Hz to 10(exp 5) Hz and magnetic waves from less than 5 Hz to the electron cyclotron frequency are characteristic of the LLBL. Analyses of Polar plasma waves show that these "broadband" waves are actually discrete electrostatic and electromagnetic modes as well as solitary bipolar pulses (electron holes). It is noted that all wave modes can be generated by approx. 100 eV to approx. 10 keV auroral electrons and protons. We will review wave-particle interactions, with focus on cross-diffusion rates and the contributions of such interactions toward the formation of the boundary layer. In summary, we will present a scenario where the global solar wind-magnetosphere interaction is responsible for the auroral zone particle beams, and hence for the generation of plasma waves and the formation of the boundary layer. It is speculated that all planetary magnetospheres will have boundary layers and they will be characterized by similar currents and plasma wave modes.

Gurnett, Donald A.↗

DOE OSTI2016

Interactive Visualization of Multi-Group Cross Sections on High-Fidelity Spatial Meshes

Core simulation tools utilizing Monte Carlo transport methods represent the 'Holy Grail' for nuclear reactor analysis. However, deterministic transport methods pose a number of advantages to Monte Carlo from a computational perspective, which seems likely to make these methods more viable in the near to intermediate term. Deterministic methods almost universally discretize the energy domain in a few to hundreds of energy groups. One of the key challenges for deterministic transport-based methods to be viable is accurate, reactor agnostic multi-group cross section generation. This paper describes tools for data processing and visualization of multigroup cross sections generated on high-fidelity spatial meshes from the OpenMC Monte Carlo code. Next generation deterministic transport reactor core modeling tools will require multi-group cross section (MGXS) generation on high-fidelity spatial meshes. High-fidelity MGXS are necessary for the accurate simulation of neutron physics in nuclear reactors with a high degree of spectral heterogeneity - e.g., large localized neutron flux gradients throughout a reactor core. Although many local (e.g., pin cell) approximations have been developed to model the scalar flux to compute spectral-averaged MGXS, these techniques cannot account for complex intra-pin and intra-assembly spatial self-shielding effects. Monte Carlo presents the most accurate method for reactor agnostic multi-group cross section generation since it does not require the use of local approximations to the flux. Monte Carlo has been proposed as a highly desirable framework for reactor agnostic cross section generation for many years. Monte Carlo methods can effectively embed all of the relevant spectral effects into the MGXS through the random particle tracking and interaction sampling processes. Previous work has applied MCNP and Serpent to compute few-group constants for diffusion calculations, and OpenMC to compute multi-group cross sections for transport-based methods. The primary difficulty with using Monte Carlo for MGXS generation is the tremendous computational resources required to adequately converge multi-group cross sections in each spatial region and energy group. Recent development of the OpenMC Monte Carlo code for high-performance computing platforms has made multigroup cross section generation from Monte Carlo more tractable in the foreseeable future. The recent release of OpenMC v0.7.1 includes a new Python-based module for MGXS generation. The MGXS generation module leverages many of the algorithms and features for 'big data' analysis of large tally datasets on complex spatial meshes. This paper describes the data management workflow and visualization tools which have been developed to explore the plethora of MGXS data generated with OpenMC. It is the authors' hope that the development of the visualization tool described in this paper will ultimately enable the design of machine learning algorithms to accelerate the convergence rate of high-fidelity multi-group cross section generated with Monte Carlo. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2013

Formation and annealing behaviors of qubit centers in 4H-SiC from first principles

Inspired by finding that the nitrogen-vacancy center in diamond is a qubit candidate, similar defects in silicon carbide (SiC) have drawn considerable interest. However, the generation and annealing behaviors of these defects remain unclear. Using first-principles calculations, we describe the equilibrium concentrations and annealing mechanisms based on the diffusion of silicon vacancies. The formation energies and energy barriers along different migration paths, which are responsible for the formation rates, stability, and concentrations of these defects, are investigated. The effects on these processes of charge states, annealing temperature, and crystal orientation are also discussed. These theoretical results are expected to be useful in achieving controllable generation of these defects in experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2025

From Electronic Structure to Ion Transport: Photoelectron Spectroscopy and Molecular Dynamics Simulations Reveal the Role of Anions in Lithium Battery Electrolytes

Electrolyte anions are pivotal for lithium battery performance, yet their fundamental electronic structural properties are not well understood. In this work, we employ a combination of negative-ion photoelectron spectroscopy (NIPES), ab initio calculations, and molecular dynamics (MD) simulations to investigate the electronic structures of three representative electrolyte anions. This multiscale approach enables us to elucidate how their intrinsic electronic properties govern anion–solvent interactions in gas-phase clusters, as well as lithium-ion (Li + ) solvation structures and ion transport behavior in the condensed phase. NIPES reveals that difluoro(oxalato)borate (DFOB – ), bis(fluorosulfonyl)imide (FSI – ), and bis(oxalato)borate (BOB – ) all exhibit high electron binding energies, with vertical/adiabatic detachment energies increasing from DFOB – (6.09/5.70 eV) to FSI – (6.80/6.10 eV) to BOB – (6.82/6.40 eV), correlating with enhanced oxidation stability. Ab initio calculations reveal that DFOB – /FSI – –solvent complexes bind Li + ∼ 10 kcal/mol stronger than BOB – series, aligning with the strength of a Li + –anion model. DFOB – exhibits pronounced charge localization on both oxygen and fluorine atoms, enabling their involvement in Li + coordination. In contrast, fluorine atoms in FSI – are largely electron-depleted and remain excluded from direct Li + binding. MD simulations further demonstrate that LiDFOB and LiFSI systems exhibit Li + diffusion coefficients three and five times higher than those of LiBOB across four common solvents. Notably, LiFSI salt in acetonitrile (AN) exhibits the fastest Li + diffusion among 12 electrolyte systems, highlighting the synergistic effect of FSI – and AN in promoting ion mobility. In conclusion, these findings provide a molecular-level understanding of the critical roles of anion and its microsolvation in optimizing Li + diffusion dynamics, once again emphasizing the positioning of FSI – and DFOB – as prime candidates for next-generation electrolytes.

25 ENERGY STORAGE↗

DOE OSTI2014

A plateau in the sensitivity of a compact optically pumped atomic magnetometer

In a compact optically pumped atomic magnetometer (OPAM), there is a plateau in the sensitivity where the dependence of the sensitivity on pumping power is small compared with that predicted by the uniform polarization model. The mechanism that generates this plateau was explained by numerical analysis. The distribution of spin polarization in the alkali metal cell of an OPAM was modeled using the Bloch equation incorporating a diffusion term and an equation for the attenuation of the pump beam. The model was well-fitted to the experimental results for a module with a cubic cell with 20 mm sides and pump and probe beams with 8 mm diameter. On the plateau, strong magnetic response was generated at the regions that were not illuminated directly by the intense pump beam, while at the same time spin polarization as large as 0.5 was maintained due to diffusion of the spin-polarized atoms. Thus, the sensitivity of the magnetometer monitored with a probe beam decreases only slightly with increasing pump beam intensity because the spin polarization under an intense pump beam is saturated. This plateau, which is characteristic of this type of magnetometer using a narrow pump and probe beams, can be used in arrays of magnetometers because it enables stable operation with little sensitivity fluctuation from changes in pump beam power.

36 MATERIALS SCIENCE↗

DOE OSTI2012

SHARP/PRONGHORN Interoperability: Mesh Generation

Progress toward collaboration between the SHARP and MOOSE computational frameworks has been demonstrated through sharing of mesh generation and ensuring mesh compatibility of both tools with MeshKit. MeshKit was used to build a three-dimensional, full-core very high temperature reactor (VHTR) reactor geometry with 120-degree symmetry, which was used to solve a neutron diffusion critical eigenvalue problem in PRONGHORN. PRONGHORN is an application of MOOSE that is capable of solving coupled neutron diffusion, heat conduction, and homogenized flow problems. The results were compared to a solution found on a 120-degree, reflected, three-dimensional VHTR mesh geometry generated by PRONGHORN. The ability to exchange compatible mesh geometries between the two codes is instrumental for future collaboration and interoperability. The results were found to be in good agreement between the two meshes, thus demonstrating the compatibility of the SHARP and MOOSE frameworks. This outcome makes future collaboration possible.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2010

Advanced Soldier Thermoelectric Power System for Power Generation from Battlefield Heat Sources

The U.S. military uses large amounts of fuel during deployments and battlefield operations. This project sought to develop a lightweight, small form-factor, soldier-portable advanced thermoelectric (TE) system prototype to recover and convert waste heat from various deployed military equipment (i.e., diesel generators/engines, incinerators, vehicles, and potentially mobile kitchens), with the ultimate purpose of producing power for soldier battery charging, advanced capacitor charging, and other battlefield power applications. The technical approach employed microchannel technology, a unique “power panel” approach to heat exchange/TE system integration, and newly-characterized LAST (lead-antimony-silver-telluride) and LASTT (lead-antimony-silver-tin-telluride) TE materials segmented with bismuth telluride TE materials in designing a segmented-element TE power module and system. This project researched never-before-addressed system integration challenges (thermal expansion, thermal diffusion, electrical interconnection, thermal and electrical interfaces) of designing thin “power panels” consisting of alternating layers of thin, microchannel heat exchangers (hot and cold) sandwiching thin, segmented-element TE power generators. The TE properties, structurally properties, and thermal fatigue behavior of LAST and LASTT materials were developed and characterized such that the first segmented-element TE modules using LAST / LASTT materials were fabricated and tested at hot-side temperatures = 400 °C and cold-side temperatures = 40 °C. LAST / LASTT materials were successfully segmented with bismuth telluride and electrically interconnected with diffusion barrier materials and copper strapping within the module electrical circuit. A TE system design was developed to produce 1.5-1.6 kW of electrical energy using these new TE modules from the exhaust waste heat of 60-kW Tactical Quiet Generators as demonstration vehicles.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

The role of Frenkel defect diffusion in dynamic annealing in ion-irradiated Si

The formation of stable radiation damage in crystalline solids often proceeds via complex dynamic annealing processes, involving migration and interaction of ballistically-generated point defects. The dominant dynamic annealing processes, however, remain unknown even for crystalline Si. Here, we use a pulsed ion beam method to study defect dynamics in Si bombarded in the temperature range from -20 to 140 °C with 500 keV Ar ions. Results reveal a defect relaxation time constant of ~10–0.2 ms, which decreases monotonically with increasing temperature. The dynamic annealing rate shows an Arrhenius dependence with two well-defined activation energies of 73 ± 5 meV and 420 ± 10 meV, below and above 60 °C, respectively. Rate theory modeling, bench-marked against this data, suggests a crucial role of both vacancy and interstitial diffusion, with the dynamic annealing rate limited by the migration and interaction of vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

DEVELOPMENT AND ASSESSMENT OF COATINGS FOR FUTURE POWER GENERATION TURBINES

The NETL-Regional University Alliance (RUA) continues to advance technology development critical to turbine manufacturer efforts for achieving DOE Fossil Energy (FE's) Advanced Turbine Program Goals. In conjunction with NETL, Coatings for Industry (CFI), the University of Pittsburgh, NASA GRC, and Corrosion Control Inc., efforts have been focused on development of composite thermal barrier coating (TBC) architectures that consist of an extreme temperature coating, a commercially applied 7-8 YSZ TBC, a reduced cost bond coat, and a diffusion barrier coating that are applied to nickel-based superalloys or single crystal airfoil substrate materials for use at temperatures >1450 C (> 2640 F). Additionally, construction of a unique, high temperature ({approx}1100 C; {approx}2010 F), bench-scale, micro-indentation, nondestructive (NDE) test facility at West Virginia University (WVU) was completed to experimentally address in-situ changes in TBC stiffness during extended cyclic oxidation exposure of coated single crystal coupons in air or steam containing environments. The efforts and technical accomplishments in these areas are presented in the following sections of this paper.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Axial magnetic flux amplification in Hall-magnetohydrodynamic simulations of externally magnetized z-pinches

It is shown that externally magnetized gas-puff z-pinches under compression can exhibit robust axial flux amplification under suitable axial boundary conditions. This effect relies upon the Hall term in the generalized Ohm's law to generate azimuthal currents in the presence of a driving axial electric field. Under dynamic compression, the total current tends to flow in a mostly force-free boundary layer, separating the predominately azimuthal field outside the layer and the predominately axial field inside the layer. The effect only appears to occur if the axial boundaries allow for outflow or absorption of electromagnetic energy. The effect is mitigated by imposing either periodic or conducting axial boundary conditions. A semi-analytic equilibrium analysis agrees with steady-state solutions of the time-dependent electron-magnetohydrodynamic equations and provides an estimate of the scaling of the boundary layer as well as suggesting a scenario for the formation of the boundary layer. When operative, the effect can significantly impede plasma compression due to the increase in axial flux that diffuses into the pre-compressed plasma or through the presence of conductors that inhibit movement of the generated axial flux. Several facilities have noted unusual implosion behavior in z-pinch experiments with applied axial fields that does not appear to be explainable within the standard magnetohydrodynamic model. In conclusion, it is suggested that these experiments can be explained by the axial flux amplification and concentration effect

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Measurements of electron transport in liquid and gas Xenon using a laser-driven photocathode

Measurements of electron drift properties in liquid and gaseous xenon are reported. The electrons are generated by the photoelectric effect in a semitransparent gold photocathode driven in transmission mode with a pulsed ultraviolet laser. The charges drift and diffuse in a small chamber at various electric fields and a fixed drift distance of 2.0 cm. At an electric field of 0.5 kV/cm, the measured drift velocities and corresponding temperature coefficients respectively are 1.97 ± 0.04 mm/µs and (-0.69 ± 0.05)%/K for liquid xenon, and 1.42 ± 0.03 mm/µs and (+0.11 ± 0.01)%/K for gaseous xenon at 1.5 bar. In addition, we measure longitudinal diffusion coefficients of 25.7±4.6 cm2/s and 149±23 cm2/s, for liquid and gas, respectively. The quantum efficiency of the gold photocathode is studied at the photon energy of 4.73 eV in liquid and gaseous xenon, and vacuum. These charge transport properties and the behavior of photocathodes in a xenon environment are important in designing and calibrating future large scale noble liquid detectors.

Njoya, Oumarou↗

DOE OSTI2017

Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

Here, the Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al 0.3 Ga 0.7 As/GaAs/Al 0.25 Ga 0.75 As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation as photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Versatile TRISO fuel particle modeling in Bison

Tri-structural isotropic (TRISO) fuel particles are a key component in several previous and current reactors as well as in a variety of novel nuclear reactor designs. Interest in TRISO fuel is on the rise, necessitating considerable computer modeling of TRISO fuel behavior in order to support related design and licensing activities. The Bison nuclear fuel performance code, which offers a full set of capabilities for modeling TRISO fuels, makes it easier to explore the various important aspects of TRISO fuel behavior. One key advantage of Bison is its ability to create meshes in 1D, 2D, and 3D. Users can customize these meshes for specific geometries, mesh densities, and use cases. This enables a wide variety of analyses, including thermal, structural, mass diffusion, homogenization, and statistical failure analyses. Furthermore, the meshing capability simplifies analysts’ workflows. The inherent mesh generation capability eliminates the need for separate mesh-generating software and mesh file management. Also, the fact that the meshes are customizable makes it straightforward to automate an investigation over a range of geometric parameters or mesh densities. Here, the present paper highlights the ease with which Bison may be used to create meshes for both simple and relatively complex TRISO fuel particles, and it explores the types of analyses enabled by these meshes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Hot Hydrogen Testing of W-Coated UN Kernels in a Mo30W Matrix

Ceramic uranium mononitride (UN) is being considered as a reactor fuel for nuclear thermal propulsion. To avoid or reduce the dissociation of UN at the high temperatures needed, embedding it in a metallic matrix (cermet) has been proposed. To assess the viability of this concept, hot hydrogen testing of tungsten-coated UN kernels embedded in a Mo-30 wt% W (Mo30W) alloy matrix has been performed at temperatures from 1800°C to 2300°C. Both the isolated kernels and kernels consolidated by spark plasma sintering in the Mo30W matrix were tested. In addition to direct observations and mass loss measurements, the samples were analyzed by X-ray diffraction (XRD) and scanning electron microscopy (SEM)/energy dispersive X-ray spectroscopy (EDS) after each run. The decomposition of UN started at 1800°C despite the coating and matrix, and increased at 2000°C. Uranium seeped through the tungsten grain boundaries of the coating at all temperatures. The consolidated sample expanded irregularly at 2000°C through the formation of voids, and SEM/EDS analysis showed uranium-containing veins in the matrix consisting of U 2 Mo according to the XRD data. The observed pore generation at 2000°C was explained by the formation of water vapor from residual oxides and diffused hydrogen. At 2200°C and above, both the kernels and the consolidated samples melted through the formation of uranium or low–melting point uranium-molybdenum alloys.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗