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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

The development and preliminary application of an invariant coupled diffusion and chemistry model

In many real-world pollution chemical reaction problems, the rate of reaction problems, the rate of reaction may be greatly affected by unmixedness. An approximate closure scheme for a chemical kinetic submodel which conforms to the principles of invariant modeling and which accounts for the effects of inhomogeneous mixing over a wide range of conditions has been developed. This submodel has been coupled successfully with invariant turbulence and diffusion models, permitting calculation of two-dimensional diffusion of two reacting (isothermally) chemical species. The initial calculations indicate the ozone reactions in the wake of stratospheric aircraft will be substantially affected by the rate of diffusion of ozone into the wake, and in the early wake, by unmixedness.

Hilst, G. R.↗
DOE OSTI2025

Advanced Computational Modeling of High-Level Waste Vitrification at the Hanford Site

The U.S. Department of Energy (DOE) has selected vitrification for stabilizing legacy tank waste at the Hanford site, where radioactive waste from plutonium production was historically stored in underground tanks. This waste will be separated into low-activity waste (LAW) and high-level waste (HLW) fractions and processed at the Waste Treatment and Immobilization Plant (WTP). At WTP, glass melters are used for the vitrification of radioactive tank waste, transforming it into a stable borosilicate glass form for safe long-term storage. The melter vessel is constructed from highly durable and heat-resistant materials, where the vitrification process occurs. The main regions that are modeled are the melt pool, plenum, cold cap, riser/discharge chamber, and surrounding structure with insulation layers. Forced convection induced by air bubblers at the base of the melter ensure uniform temperature distribution and provide heat to the cold cap layer. The cold cap is a region of reacting batch feed that floats on top of the molten glass and is where the batch-to-glass reactions occur. Joule heating provided by electrodes mounted along the vertical walls of the melter and immersed directly in the glass, generates the necessary heat for the net endothermic conversion processes that occur in the cold cap. The high temperatures, radioactivity, and opaque nature of the glass prevent direct observation inside the melters. Therefore, computational models are essential for providing insight into factors that affect melter throughput. Thermocouples in the plenum provide operators with plenum temperature measurements. Operational adjustments include bubbling rate, voltage supplied to the electrodes, feed adjustments, and glass removal rate. Different computational fluid dynamics (CFD) models have been developed, each serving a specific purpose. There are CFD models of different scale melters, as well as models that capture the two-phase flow interfaces of rising bubbles in the molten glass or models with a simplified molten glass region so that the surrounding structure and plenum can be feasibly incorporated. Pilot-scale melter models have been developed to serve as validation of the methods employed in the simulation of the full-scale WTP melters. Models incorporating resolved bubbling are used to develop momentum source terms to implement into a single phase, multi-region, steady-state flow model that is being validated by measured process parameters such as glass production rate, voltage, input power, plenum temperatures, etc. The resolved bubbling model uses the multiphase volume of fluid approach to model the system with a high-resolution interface capturing scheme to maintain sharp interfaces between the molten glass and the air phase. The suite of CFD models is continually being improved to incorporate more realistic physics and achieve faster turnaround time. For example, an incremental controller is implemented to automatically adjust electrode voltage within the simulation to a molten glass set point temperature of 1150°C. Newer models feature improved meshes to ensure conformal meshes between regions and eliminate unnecessary mesh refinement in areas that are not of interest (such as boundary layers in offgas ports). Instead of explicitly modeling the structural, refractory, and insulation layers of the melter, a thermal resistance approach is used with published correlations used for boundary conditions. The development of robust and efficient CFD models will be instrumental in enabling the WTP to successfully fulfill its mission of safely stabilizing legacy nuclear waste.

12 - MGMT OF RADIOACTIVE AND NON-RADIOACTIVE WASTE↗
DOE OSTI2022

Towards an “$\mathrm{AdS}_1$/$\mathrm{CFT}_0$” correspondence from the $\mathrm{D}$(-1)/$\mathrm{D}$7 system?

We argue that a type IIB Euclidean supergravity solution of the form $\mathbb{R}$ x S 1 x $\mathbb{T}$ 8 with imaginary self-dual F 1 flux through $\mathbb{R}$ x S 1 belongs to the chain of AdS d x S d x $\mathbb{T}$ 10-2d vacua with (imaginary) self-dual Fd flux, where d ≤ 5. Such vacua come from the near-horizon of D(d - 2)/D(8 - d) branes and are supersymmetric for odd values of d. For d = 1 we speculate that the hallmark of conformal symmetry for the matrix model dual is a vanishing free energy. The matrix dual was recently constructed by [1] by adding matrix interactions coming from strings stretching between the D(-1) and D7 branes to the IKKT matrix model. We find that the corresponding supergravity solution indeed has vanishing on-shell action. Specific F 5 fluxes need to be switched on as a consequence of (a T-dual version of) the Hanany-Witten effect.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A substrate-induced gating mechanism is conserved among Gram-positive IgA1 metalloproteases

The mucosal adaptive immune response is dependent on the production of IgA antibodies and particularly IgA1, yet opportunistic bacteria have evolved mechanisms to specifically block this response by producing IgA1 proteases (IgA1Ps). Our lab was the first to describe the structures of a metal-dependent IgA1P (metallo-IgA1P) produced from Gram-positive Streptococcus pneumoniae both in the absence and presence of its IgA1 substrate through cryo-EM single particle reconstructions. This prior study revealed an active-site gating mechanism reliant on substrate-induced conformational changes to the enzyme that begged the question of whether such a mechanism is conserved among the wider Gram-positive metallo-IgA1P subfamily of virulence factors. Here, we used cryo-EM to characterize the metallo-IgA1P of a more distantly related family member from Gemella haemolysans, an emerging opportunistic pathogen implicated in meningitis, endocarditis, and more recently bacteremia in the elderly. While the substrate-free structures of these two metallo-IgA1Ps exhibit differences in the relative starting positions of the domain responsible for gating substrate, the enzymes have similar domain orientations when bound to IgA1. Together with biochemical studies that indicate these metallo-IgA1Ps have similar binding affinities and activities, these data indicate that metallo-IgA1P binding requires the specific IgA1 substrate to open the enzymes for access to their active site and thus, largely conform to an “induced fit” model.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Structural switching dynamically controls the doubly pseudoknotted Rous sarcoma virus–programmed ribosomal frameshifting element

A hallmark of retrovirus replication is the translation of two different polyproteins from one RNA through programmed –1 frameshifting. This is a mechanism in which the actively translating ribosome is induced to slip in the 5′ direction at a defined codon and then continues translating in the new reading frame. Programmed frameshifting controls the stoichiometry of viral proteins and is therefore under stringent evolutionary selection. Forty years ago, the first frameshifting stimulatory element was discovered in the Rous sarcoma virus. The ~120 nt RNA segment was predicted to contain a pseudoknot, but its 3D structure has remained elusive. Now, we have determined cryoEM and X-ray crystallographic structures of this classic retroviral element, finding that it adopts a butterfly-like double-pseudoknot fold. One “wing” contains a dynamic pyrimidine-rich helix, observed crystallographically in two conformations and in a third conformation via cryoEM. The other wing encompasses the predicted pseudoknot, which interacts with a second unexpected pseudoknot through a toggle residue, A2546. This key purine switches conformations between structural states and tunes the stability of interacting residues in the two wings. We find that its mutation can modulate frameshifting by as much as 50-fold, likely by altering the relative abundance of different structural states in the conformational ensemble of the RNA. Taken together, our structure–function analyses reveal how a dynamic double pseudoknot junction stimulates frameshifting by taking advantage of conformational heterogeneity, supporting a multistate model in which high Shannon entropy enhances frameshifting efficiency.

Science & Technology - Other Topics↗
DOE OSTI2024

Operator product expansion for radial lattice quantization of 3D ϕ 4 theory

At its critical point, the three-dimensional lattice Ising model is described by a conformal field theory (CFT), the 3D Ising CFT. Instead of carrying out simulations on Euclidean lattices, we use the quantum finite elements method to implement radially quantized critical ϕ 4 theory on simplicial lattices approaching R × S 2 . Computing the four-point function of identical scalars, we demonstrate the power of radial quantization by the accurate determination of the scaling dimensions Δ ε and Δ T as well as ratios of the operator product expansion coefficients f σ σ ε and f σ σ T of the first spin-0 and spin-2 primary operators ε and T of the 3D Ising CFT. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1984

Spokes in Saturn's rings - Dynamical and reflectance properties

The results and implications of dynamical and reflectance studies of spokes in the Voyager 2 low-resolution ring movie are presented. The spoke of greater interest (Spoke 1) can be traced from its first appearance on the morning and to its terminal dispersion on the evening side. Orbital velocities, reflectances, and reflectance profiles are reported. The behavior of Spoke 1 conforms to the plasma cloud model of spoke formation and evolution proposed by Goertz and Morfill (1983). A second spoke observed in the ring movie provides corroborating support for the observed behavior of Spoke 1.

Eplee, R. E., Jr.↗
NASA NTRS1987

Structure and kinematics of the molecular spiral arms in M51

Mapping of the CO(1-0) emission from the spiral galaxy was made with the Onsala 20 m antenna. The observations show that the emission is considerably enhanced in spiral arms which appear to originate as intense ridges of emission about 1 kpc from the nucleus. One of the main objectives for the 1986 observations was to study the variations of the tangential velocity component of molecular gas across a spiral arm. The radial velocity was found to have a velocity shift similar to that predicted by the density wave theory. The present (1986) observations of the inner southern spiral arm of M51 show that the tangential velocity component also behaves in a way which conforms with the density wave model. The molecular arms were compared with the H alpha ionized gas arms of Tully (1974) and it was found that the ionized gas appears to have its maximum intensity slightly outside the molecular arm.

Rydbeck, G.↗
NASA NTRS1994

On the design of flight-deck procedures

In complex human-machine systems, operations, training, and standardization depend on a elaborate set of procedures which are specified and mandated by the operational management of the organization. The intent is to provide guidance to the pilots, to ensure a logical, efficient, safe, and predictable means of carrying out the mission objectives. In this report the authors examine the issue of procedure use and design from a broad viewpoint. The authors recommend a process which we call 'The Four P's:' philosophy, policies, procedures, and practices. We believe that if an organization commits to this process, it can create a set of procedures that are more internally consistent, less confusing, better respected by the flight crews, and that will lead to greater conformity. The 'Four-P' model, and the guidelines for procedural development in appendix 1, resulted from cockpit observations, extensive interviews with airline management and pilots, interviews and discussion at one major airframe manufacturer, and an examination of accident and incident reports. Although this report is based on airline operations, we believe that the principles may be applicable to other complex, high-risk systems, such as nuclear power production, manufacturing process control, space flight, and military operations.

Degani, Asaf↗
NASA NTRS1996

Managing Approach Plate Information Study (MAPLIST): An Information Requirements Analysis of Approach Chart Use

Adequately presenting all necessary information on an approach chart represents a challenge for cartographers. Since many tasks associated with using approach charts are cognitive (e.g., planning the approach and monitoring its progress), and since the characteristic of a successful interface is one that conforms to the users' mental models, understanding pilots' underlying models of approach chart information would greatly assist cartographers. To provide such information, a new methodology was developed for this study that enhances traditional information requirements analyses by combining psychometric scaling techniques with a simulation task to provide quantifiable links between pilots' cognitive representations of approach information and their use of approach information. Results of this study should augment previous information requirements analyses by identifying what information is acquired, when it is acquired, and what presentation concepts might facilitate its efficient use by better matching the pilots' cognitive model of the information. The primary finding in this study indicated that pilots mentally organize approach chart information into ten primary categories: communications, geography, validation, obstructions, navigation, missed approach, final items, other runways, visibility requirement, and navigation aids. These similarity categories were found to underlie the pilots' information acquisitions, other mental models, and higher level cognitive processes that are used to accomplish their approach and landing tasks.

Ricks, Wendell R.↗
DOE OSTI2020

Quantum Critical Higgs: from AdS 5 to colliders

We examine distinctive signatures of Quantum Critical Higgs models at the LHC and future higher energy colliders. In these models the Higgs boson is part of a conformal sector that is softly broken at a threshold scale, and generically the scaling dimension of the Higgs is larger than in the Standard Model. In particular we examine the gg → H → ZZ, gg → H → γγ, and gg → Z → H Z channels to see how the cross sections deviate from the Standard Model in the high invariant mass region. In order to perform the calculations we use 5D duals of Quantum Critical Higgs models using the AdS/CFT correspondence, with a soft wall to break the conformal symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

From sequence to protein structure and conformational dynamics with artificial intelligence/machine learning

The 2024 Nobel Prize in Chemistry was awarded in part for de novo protein structure prediction using AlphaFold2, an artificial intelligence/machine learning (AI/ML) model trained on vast amounts of sequence and three-dimensional structure data. AlphaFold2 and related models, including RoseTTAFold and ESMFold, employ specialized neural network architectures driven by attention mechanisms to infer relationships between sequence and structure. At a fundamental level, these AI/ML models operate on the long-standing hypothesis that the structure of a protein is determined by its amino acid sequence. More recently, AlphaFold2 has been adapted for the prediction of multiple protein conformations by subsampling multiple sequence alignments. Herein, we provide an overview of the deterministic relationship between sequence and structure, which was hypothesized over half a century ago with profound implications for the biological sciences ever since. We postulate that protein conformational dynamics are also determined, at least in part, by amino acid sequence and that this relationship may be leveraged for construction of AI/ML models dedicated to predicting protein conformational ensembles. Accordingly, we describe a conceptual model architecture, which may be trained on sequence data in combination with conformationally sensitive structural information, coming primarily from nuclear magnetic resonance (NMR) spectroscopy. Notwithstanding certain limitations in this context, NMR offers abundant structural heterogeneity conducive to conformational ensemble prediction. As NMR and other data continue to accumulate, sequence-informed prediction of protein structural dynamics with AI/ML has the potential to emerge as a transformative capability across the biological sciences.

Artificial intelligence↗
NASA NTRS1983

Turbulence modeling methods for the compressible Navier-Stokes equations

Turbulence modeling methods for the compressible Navier-Stokes equations, including several zero- and two-equation eddy-viscosity models, are described and applied. Advantages and disadvantages of the models are discussed with respect to mathematical simplicity, conformity with physical theory, and numerical compatibility with methods. A new two-equation model is introduced which shows advantages over other two-equation models with regard to numerical compatibility and the ability to predict low-Reynolds-number transitional phenomena. Calculations of various transonic airfoil flows are compared with experimental results. A new implicit upwind-differencing method is used which enhances numerical stability and accuracy, and leads to rapidly convergent steady-state solutions.

Coakley, T. J.↗
NASA NTRS1987

Transonic analysis of the F-16A with under-wing fuel tanks - An application of the TranAir full-potential code

Initial results obtained using the TranAir transonic full-potential code are presented for a fully configured F-16A geometry, including two 370-gal under-wing fuel tanks, at freestream Mach numbers of 0.6 and 0.9 and angle of attack of 4 deg. The geometry is modeled using surface panels, and the flow field is defined by a rectangular array of flow-field grid points. The paneled geometry is embedded within this rectangular flow field. By avoiding the use of surface-conforming flow-field grids, the modeling generality afforded by surface panels can be utilized to analyze very complex configurations in the transonic flow regime.

Madson, Michael D.↗
DOE OSTI2022

Calabi-Yau CFTs and random matrices

Using numerical methods for finding Ricci-flat metrics, we explore the spectrum of local operators in two-dimensional conformal field theories defined by sigma models on Calabi-Yau targets at large volume. Focusing on the examples of K3 and the quintic, we show that the spectrum, averaged over a region in complex structure moduli space, possesses the same statistical properties as the Gaussian orthogonal ensemble of random matrix theory.

superstring vacua↗
NASA NTRS1977

Aerodynamic characteristics of an F-8 aircraft configuration with a variable camber wing at Mach numbers from 1.5 to 2.0

A 0.1-scale model of an F-8 aircraft was tested over a range of Mach numbers from 1.5 to 2.0. Reynolds number of 4.12 million was based on wing mean-aerodynamic chord for angles of attack varying from -2 deg to +12 deg. The model was equipped with an advanced-technology-conformal-variable-camber wing (ATCVCW) having simple hinge flaps. Data were also obtained for the model equipped with the basic F-8 wing and conventional flaps. Model variables included aileron and wing trailing edge deflections and horizontal tail incidence. The ATCVCW configuration produced slight improvements in lift-curve slope, drag, and static longitudinal stability over that of the basic F-8 wing configuration. Flap effectiveness was essentially the same for both wings.

Boltz, F. W.↗
NASA NTRS2023

A Common Trajectory Language for New Airspace Domains

Revolutionary new aviation services are currently in development, including small package delivery and short-range urban passenger transportation. These new services need a language to represent and deconflict trajectories, and a common language will simplify coordination between the new airspace domains as well as traditional airspace. A Trajectory Specification Language (TSL) was previously proposed for traditional air traffic, and it can also serve as a common language for the new aviation domains and services. The TSL specifies a reference trajectory in 4D space along with spatial tolerances that determine a bounding volume at any given time in flight. The tolerances are defined in terms of the route-oriented cross-track, along-track, and vertical axes, and they are allowed to vary with distance along the route. This bounding model can guarantee safe separation between flights as long as they are in conformance with their assigned trajectories. The advantages of this model over the previously proposed Operational Intent Volumes (OIVs) in terms of airspace usage efficiency are explained.

air traffic control, aircraft trajectory, language↗