Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Conditional diffusion models”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,585 records · Page 88

A model of spatio-temporal regulation within biomaterials using DNA reaction–diffusion waveguides

In multi-cellular organisms, cells and tissues coordinate biochemical signal propagation across length scales spanning micrometres to metres. Designing synthetic materials with similar capacities for coordinated signal propagation could allow these systems to adaptively regulate themselves across space and over time. Here, we combine ideas from cell signalling and electronic circuitry to propose a biochemical waveguide that transmits information in the form of a concentration of a DNA species on a directed path. The waveguide could be seamlessly integrated into a soft material because there is virtually no difference between the chemical or physical properties of the waveguide and the material it is embedded within. We propose the design of DNA strand displacement reactions to construct the system and, using reaction–diffusion models, identify kinetic and diffusive parameters that enable super-diffusive transport of DNA species via autocatalysis. Finally, to support experimental waveguide implementation, we propose a sink reaction and spatially inhomogeneous DNA concentrations that could mitigate the spurious amplification of an autocatalyst within the waveguide, allowing for controlled waveguide triggering. Chemical waveguides could facilitate the design of synthetic biomaterials with distributed sensing machinery integrated throughout their structure and enable coordinated self-regulating programmes triggered by changing environmental conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Robust Dissimilar Metal Friction Welded Spool for Enhanced Capability for Steam Power Components (Final Program Report)

This project successfully demonstrated the feasibility and advantages of producing durable, friction-welded dissimilar-metal spools, both with and without transition pieces, as well as the use of advanced oxidation-protective coatings for steam power applications. The work encompassed the optimization and full-scale production of NFA tubing, overcoming manufacturing and processing challenges to achieve enhanced strength, creep, and fatigue properties validated by extensive microstructural characterization. Optimized welding techniques were developed and refined for joining dissimilar materials, resulting in defect-free welds optimized for both low- and high-pressure boiler circuits. Systematic evaluation of welding parameters, coupled with heat treatments, ensured reliable performance and minimized weld defects such as banding and cracking. Comprehensive mechanical and non-destructive testing, including tensile, bend, fatigue, and CT scanning, confirmed the superior integrity and durability of the friction-welded joints under representative service conditions. To address oxidation-related degradation, a range of protective alloy coatings—such as IN625, APMT, Duplex 2507, and FeCrAlY—were selected and evaluated for their ability to counteract oxide notch formation at dissimilar metal interfaces. These coatings demonstrated improved oxidation resistance and long-term stability under thermal cycling, thereby extending weld service life. Thermal cyclic testing and long-term studies captured the phase stability and diffusion behavior of coated and uncoated configurations. Validated models for low-cycle fatigue (LCF), creep, and thermal mechanical fatigue (TMF) were developed to predict component life and failure modes. These models confirmed that friction-welded configurations exhibited significantly enhanced performance compared to conventional gas-tungsten arc welding (GTAW), with up to 7× improvement in creep resistance and at least 2× enhancement in fatigue properties. The introduction of a tailored transition piece further reduced thermally induced strains, enhancing fatigue life. The results demonstrate a robust pathway for retrofitting existing steam fleet components and upgrading future equipment to deliver substantially improved cold-start cycling behavior and reduction of unplanned outages due to premature weld failures.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

New developments in the method of space-time conservation element and solution element: Applications to the Euler and Navier-Stokes equations

A new numerical framework for solving conservation laws is being developed. This new approach differs substantially in both concept and methodology from the well-established methods--i.e., finite difference, finite volume, finite element, and spectral methods. It is conceptually simple and designed to avoid several key limitations to the above traditional methods. An explicit model scheme for solving a simple 1-D unsteady convection-diffusion equation is constructed and used to illuminate major differences between the current method and those mentioned above. Unexpectedly, its amplification factors for the pure convection and pure diffusion cases are identical to those of the Leapfrog and the DuFort-Frankel schemes, respectively. Also, this explicit scheme and its Navier-Stokes extension have the unusual property that their stabilities are limited only by the CFL condition. Moreover, despite the fact that it does not use any flux-limiter or slope-limiter, the Navier-Stokes solver is capable of generating highly accurate shock tube solutions with shock discontinuities being resolved within one mesh interval. An accurate Euler solver also is constructed through another extension. It has many unusual properties, e.g., numerical diffusion at all mesh points can be controlled by a set of local parameters.

Chang, Sin-Chung↗

Effect of finite-rate chemistry and unequal Schmidt numbers on turbulent non-premixed flames modeled with single-step chemistry

The interaction between a quasi-laminar flame and a turbulent flowfield is investigated through direct numerical simulations (DNS) of reacting flow in two- and three-dimensional domains. Effects due to finite-rate chemistry are studied using a single step global reaction A (fuel) + B (oxidizer) yields P (product), and by varying a global Damkoehler number, as a result of which the turbulence-chemistry interaction in the flame is found to generate a wide variety of conditions, ranging from near-equilibrium to near-extinction. Differential diffusion effects are studied by changing the Schmidt number of one reactive species to one-half. It is observed that laminar flamelet response is followed within the turbulent flowfield, except in regions where transient effects seem to dominate.

Chen, J. H.↗

Deuterium Retention in Neutron-Irradiated Single-Crystal Tungsten

A critical challenge for burning plasma operation is to predict tritium behavior (retention and permeation) in plasma-facing components under intense high heat, particle and neutron flux conditions to minimize the in-vessel tritium inventory and the annual operational tritium release to the public and environment. The Task 3 of the US-Japan Joint Project on Technological Assessment of Plasma Facing Components for DEMO Reactors (PHENIX) aims at advancing the scientific understanding of tritium retention in neutron-irradiated tungsten and tungsten alloys for fusion fuel cycle and safety. A combination of thermal desorption spectroscopy, nuclear reaction analysis, and rate-diffusion modeling code (e.g. Tritium Migration Analysis Program) are used to elucidate deuterium behavior in neutron-irradiated tungsten. This paper will discuss one-of-a-kind neutron irradiation under the PHENIX project and recent progress in neutron-irradiated single-crystal and polycrystalline tungsten material irradiated by low-dose neutron and exposed to high-flux deuterium plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Graphite Oxidation Simulation in HTR Accident Conditions (3 rd Year and Final Technical Report)

Massive air and water ingress, following a pipe break or leak in steam-generator tubes, is a design-basis accident for high-temperature reactors (HTRs). Analysis of these accidents in both prismatic and pebble bed HTRs requires state-of-the-art capability for predictions of: 1) oxidation kinetics, 2) air helium gas mixture stratification and diffusion into the core following the depressurization, 3) transport of multi-species gas mixture, and 4) graphite corrosion. This project will develop a multi-dimensional, comprehensive oxidation kinetics model of graphite in HTRs, with diverse capabilities for handling different flow regimes. The chemical kinetics/multi-species transport model for graphite burning and oxidation will account for temperature-related changes in the properties of graphite, oxidants (O 2 , H 2 O, CO), reaction products (CO, CO 2 , H 2 , CH 4 ) and other gases in the mixture (He and N2). The model will treat the oxidation and corrosion of graphite in geometries representative of HTR core component at temperatures of 900°C or higher. The developed chemical reaction kinetics model will be user-friendly for coupling to full core analysis codes such as MELCOR and RELAP, as well as computational fluid dynamics (CFD) codes such as CD-adapco. The research team will solve governing equations for the multi-dimensional flow and the chemical reactions and kinetics using Simulink, an extension of the MATLAB solver, and will validate and benchmark the model's predictions using reported experimental data. Researchers will develop an interface to couple the validated model to a commercially available CFD fluid flow and thermal-hydraulic model of the reactor , and will perform a simulation of a pipe break in a prismatic core HTR, with the potential for future application to a pebble-bed type HTR.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Grazing Incidence Wide-Angle X-ray Scattering of Water Adsorption in Polyamide Barrier Layers of Reverse Osmosis Membranes

To understand the relationship between the intermolecular structure of aromatic polyamide (PA) scaffold and the water molecules in the barrier layers of reverse osmosis (RO) membranes, a grazing incidence wide-angle X-ray scattering (GIWAXS) study was carried out on freestanding PA thin films at varying relative humidity (RH) conditions. The scattering results were analyzed by an interference scattering model, containing a phase factor between a PA chain and an adsorbed water molecule. This model yielded good fits to the GIWAXS profiles where the water adsorption was found to vary linearly with RH. Atomistic molecular dynamics (MD) simulations were also performed to complement the experimental study. Furthermore, the simulations revealed that a rapid condensation layer initially formed on the PA film surface, followed by the slow water molecule diffusion inside the PA membrane. Sparse adsorbed water, isolated in subnanopores of the PA film adjacent to the polar atoms, even in very low quantities, modifies the X-ray scattering. Atomistic simulations at the microscopic scale provide partial support for several X-ray scattering findings.

36 MATERIALS SCIENCE↗

A numerical simulation of solar energetic particle dropouts during impulsive events

This paper investigates the conditions for producing rapid variations of solar energetic particle (SEP) intensity commonly known as 'dropouts'. In particular, we use numerical model simulations based on solving the focused transport equation in the three-dimensional Parker interplanetary magnetic field to put constraints on the properties of particle transport coefficients in both directions perpendicular and parallel to the magnetic field. Our calculations of the temporal intensity profile of 0.5 and 5 MeV protons at the Earth show that the perpendicular diffusion must be small while the parallel mean free path is long in order to reproduce the phenomenon of SEP dropouts. When the parallel mean free path is a fraction of 1 AU and the observer is located at 1 AU, the perpendicular to parallel diffusion ratio must be below 10{sup –5} if we want to see the particle flux dropping by at least several times within 3 hr. When the observer is located at a larger solar radial distance, the perpendicular to parallel diffusion ratio for reproducing the dropouts should be even lower than that in the case of 1 AU distance. A shorter parallel mean free path or a larger radial distance from the source to observer will cause the particles to arrive later, making the effects of perpendicular diffusion more prominent and SEP dropouts disappear. All of these effects require the magnetic turbulence that resonates with the particles to be low everywhere in the inner heliosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

Systematic Operating Temperature Differences Between Al-BSF, PERC, and PERT-With-Optimized-Rear-Reflector Solar Mini-Modules Due to Rear Reflectance

Reflecting sub-bandgap light from photovoltaic modules has the potential to improve lifetime energy generation of fielded systems by reducing operating temperature. In this article, the temperature of fielded aluminum back-surface field (Al-BSF) and passivated emitter and rear contact (PERC) mini-modules was monitored every 5 minutes for 75 days along with corresponding meteorological data. Additionally, passivated emitter rear totally diffused (PERT) mini-modules with high-performance sub-bandgap rear reflectors were tested and compared to the state-of-the-art industrial modules. These reflectors consisted of a >300-nm-thick silicon dioxide nanoparticle film with a low refractive index. The impact of reflectance on measured operating temperature was isolated with a previously developed thermal model and quantified as the reflectance-induced median temperature difference between each tested module at representative outdoor conditions (1000 W m -2 , 25 degrees C ambient temperature, and 1.43 m s -1 wind speed). We found that, because of their reflectance differences, PERC modules ran systematically cooler than Al-BSF modules by 1.0 degrees C, whereas the PERT-with-optimized-rear-reflector systematically operated 1.4 degrees C cooler than the Al-BSF module and 0.4 degrees C than the PERC module. We also found that the rear reflector provided the greatest temperature benefit during periods of highest irradiance.

14 SOLAR ENERGY↗

Anomalous FIM images of tungsten.

Observation of unusual field-ion images consisting of bright bands of variable width parallel to the 111 (in carets) zones in tungsten at 78 K. Typical conditions for the effect are: pulse width from 1 to 50 microsec and pulse height adjusted so that five to ten pulses are required to remove one (110) plane. The influence of a number of accessible variables was studied and the results lead to a two-mechanism model for field evaporation involving (1) a slow process requiring helium promotion and (2) unpromoted evaporation when the local helium supply is depleted at high rates. The model implies that helium diffusion is rate-limiting in the promotion mechanism and leads to a migration energy of about 0.15 eV during field evaporation. There is a measurable difference in end form in the limits of high- and low-field evaporation rates. High rates are nearly isotropic and yield a more hemispherical end form.

Hren, J. J.↗

Laboratory Astrophysics: The Universe in the Palm of Your Hand

Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: (1) the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; (2) the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); (3) the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); (4) the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; and (5) the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules, ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model. Fortunately, the last decade has seen an explosion of experimental and theoretical techniques aimed specifically at addressing these issues. Indeed, many of these techniques will be explored in the series of talks which constitute this forum. This talk will provide an overview of the studies of the spectroscopic properties of isolated, neutral, and ionized PACs that have been conducted in the Astrochemistry Laboratory at NASA Ames, together with a consideration of their implications for astrophysics. Particular attention will be paid to models of the interstellar infrared emission spectra generated using the available database of laboratory PAC infrared spectra and the natural ability of this database to accommodate the variations observed in the astronomical spectra. Such models provide insight into the structure, abundance, and ionization state of the interstellar PAC population and, in turn, provide direct insight into the processes of carbon nucleation, growth and evolution as matter is processed through the interstellar medium. These models will be followed by a more in depth look at some specific aspects of the interstellar infrared emission spectrum, considering both what we can learn about them and what we can learn from them. Finally, some of the limitations of the current model and the available spectroscopic dataset will be 'dered along with future experimental directions designed to address these shortcomings. Further information about this and the related areas of research currently ongoing in the Astrochemistry Laboratory can be found at our world wide web site. http://www-space.arc.nasa.gov/(tilda)astrochem

Hudgins, Douglas M.↗

New Concepts for Refinement of Cumulus Parameterization in GCM's the Arakawa-Schubert Framework

Several state-of-the-art models including the one employed in this study use the Arakawa-Schubert framework for moist convection, and Sundqvist formulation of stratiform. clouds, for moist physics, in-cloud condensation, and precipitation. Despite a variety of cloud parameterization methodologies developed by several modelers including the authors, most of the parameterized cloud-models have similar deficiencies. These consist of: (a) not enough shallow clouds, (b) too many deep clouds; (c) several layers of clouds in a vertically demoralized model as opposed to only a few levels of observed clouds, and (d) higher than normal incidence of double ITCZ (Inter-tropical Convergence Zone). Even after several upgrades consisting of a sophisticated cloud-microphysics and sub-grid scale orographic precipitation into the Data Assimilation Office (DAO)'s atmospheric model (called GEOS-2 GCM) at two different resolutions, we found that the above deficiencies remained persistent. The two empirical solutions often used to counter the aforestated deficiencies consist of a) diffusion of moisture and heat within the lower troposphere to artificially force the shallow clouds; and b) arbitrarily invoke evaporation of in-cloud water for low-level clouds. Even though helpful, these implementations lack a strong physical rationale. Our research shows that two missing physical conditions can ameliorate the aforestated cloud-parameterization deficiencies. First, requiring an ascending cloud airmass to be saturated at its starting point will not only make the cloud instantly buoyant all through its ascent, but also provide the essential work function (buoyancy energy) that would promote more shallow clouds. Second, we argue that training clouds that are unstable to a finite vertical displacement, even if neutrally buoyant in their ambient environment, must continue to rise and entrain causing evaporation of in-cloud water. These concepts have not been invoked in any of the cloud parameterization schemes so far. We introduced them into the DAO-GEOS-2 GCM with McRAS (Microphysics of Clouds with Relaxed Arakawa-Schubert Scheme).

Sud, Y. C.↗

Theory of Alike Selectivity in Biological Channels

We introduce a statistical mechanical model of the selectivity filter that accounts for the interaction between ions within the channel and derive Eisenman equation of the filter selectivity directly from the condition of barrier-less conduction.

alike selectivity↗

Calculation of two-dimension radial electric field in boundary plasmas by using BOUT++

The steady state radial electric field (Er) is measured by coupling a plasma transport model with the quasi-neutrality constraint and the vorticity equation within the BOUT++ framework. Due to the experimentally measured plasma density and temperature profiles in Alcator C-Mod discharges, the effective radial particle and heat diffusivities are inferred from the set of plasma transport equations. The effective diffusivities are then extended into the scrape-off layer (SOL) to calculate the plasma density, temperature and flow profiles across the separatrix into the SOL with the electrostatic sheath boundary conditions (SBC) applied on the divertor plates. Given these diffusivities, the electric field can be calculated self-consistently across the separatrix from the vorticity equation with SBC coupled to the plasma transport equations. The sheath boundary conditions act to generate a large and positive Er in the SOL, which is consistent with experimental measurements. The effect of magnetic particle drifts is shown to play a significant role on local particle transport and Er by inducing a net particle flow in both the edge and SOL regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Characterization and molecular simulation of lignin in Cyrene pretreatment of switchgrass

Biomass-derived solvents have been proposed as a novel pathway in biorefining for the realization of biofuels and bioproducts derived from lignocellulosic biomass. Cyrene derived from cellulose has recently been shown to have a high potential as a green organic solvent for pretreating poplar biomass. However, due to its high dynamic viscosity nature, high Cyrene concentration could cause negative effects on the sugar release of the pretreated biomass as well as driving up the operational cost of the lignin recovery. In this study, we combine experimental and computational approaches to examine the impact of Cyrene pretreatment with reduced Cyrene concentration under mild conditions on switchgrass lignin. Our experimental studies indicated correlation between pretreatment condition and recovery and structure modification of lignin. Switchgrass lignin extracted by Cyrene pretreatment possessed high preservation of β-O-4 ether inter-unit linkage, which could provide versatility in the integration of downstream lignin valorization into the modern biorefinery industries. Molecular modeling examining the solvation of switchgrass lignin polymer and the disaggregation of low-molecular weight lignin aggregates under pretreatment conditions indicated that a preferential interaction exists between Cyrene and lignin, which likely drives lignin release, and that the disruption of inter-lignin contacts can be modulated as a non-monotonic function of Cyrene : water ratio. Further, while Cyrene–lignin interactions permit the solubilization of lignin, simulations with proxy reactive-species reveal that changes to the diffusion of these reactive proxies and their localization near linkage sites under Cyrene conditions may inhibit chemical processes. In conclusion, the results indicated that loss of pretreatment efficacy caused by low Cyrene concentration could be compensated by prolonged pretreatment time and high catalyst dosage.

09 BIOMASS FUELS↗

WE-D-18C-01: Art of Imaging: Diagnostic Ultrasound Image Artifacts

Assumptions followed during construction of B-mode and color flow images are that the pulse-echo transit time can be converted to reflector depth through uniform tissue models, echoes originate only from locations along the transmit-receive axes of pulse propagation, and first order correction schemes adequately account for acoustic wave attenuation and absorption. The latter allows the display brightness to encode tissue echogenicity. This course will challenge participants to identify imaging artifacts whose origins stem from the more complex and realistic propagating and scattering conditions common in clinical ultrasound. Speckle, a very common artifact but a clinically employed feature, originates from simultaneous echoes from diffuse scatterers and is a result of coherent detection of signals. One of the most bothersome artifacts are those due to reverberations especially that originating from superficial tissue interfaces. Methods to overcome these will be discussed. This presentation also will describe and illustrate speed of sound, refraction, enhancement, shadowing, mirroring, beam width, beam-forming, and slice thickness artifacts. All are useful examples of limitations introduced by acoustic waves propagating through complex tissue paths. New formats for physician board certification exams are demanding the inclusion of image-based examples of ultrasound physics. Instructors' knowledge of, and access to examples of ultrasound artifacts are important in this effort. The presentation will incorporate an audience response system to challenge participants in correct identification of some of these artifacts. Learning Objectives: Review basic mechanisms for producing ultrasound images. Identify the etiology of speckle, reverberation noise, beam width and slice thickness artifacts, and artifacts associated with pulse propagation. Discuss methods that reduce the impact of artifacts OR employ artifacts effectively to facilitate clinical diagnosis.

60 APPLIED LIFE SCIENCES↗

Behavior of nitric oxide formed by the space shuttle in the mesosphere

A numerical model of eddy diffusive transport of emitted gases from the space shuttle wake, including chemical reactions between the emitted constituents and the ambient atmosphere, has been constructed for 75 km altitude. The numerical methods involve explicit solution of the diffusion equation and Runge-Kutta method for the chemical reactions. The time required to reach background levels of nitric oxide concentration of 7 x 10 to the 7th power molecules/cc has been calculated. This relaxation time depends strongly on atmospheric conditions.

Eberstein, I. J.↗

Radiation-dominated Snowmelt on Mars

A set of microclimatic conditions conducive to the generation of liquid water is being sought to see whether their requirements are any less stringent than those suggested by the global-climatic models. In particular, the melting of snow and ice in the equatorial zone (where the valley networks are preferentially situated) is investigated with a model that includes detailed infrared radiation transfer between the atmosphere and the snow, penetration of sunlight into the snow, sensible heat transfer to the atmosphere, and water vapor diffusion within the surface boundary layer. IR fluxes are calculated by using pressure and temperature dependent forms for the band absorptances of CO2 and H2O in the spectral range 50 to 2000/cm.

Clow, G. D.↗