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At least 343 records · Page 19

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DOE OSTI2025

Proton Dynamics Scenarios in the Integrable Optics Test Accelerator (IOTA) at Fermilab

The Integrable Optics Test Accelerator (IOTA) at Fermilab provides a versatile platform for studying the interplay of space-charge, impedance, and non-linear optics in high-intensity hadron beams within synchrotrons and storage rings. This report examines the parameters and dynamics of 2.5~MeV proton beam operations in two configurations of the bare IOTA lattice: one for demonstrating Non-linear Integrable Optics with the Danilov-Nagaitsev magnet, and the other for use with electron cooling. We offer order-of-magnitude estimates of the transverse emittance growth rate as a function of beam intensity, highlighting contributions from residual gas scattering, intra-beam scattering, and space-charge effects. Under nominal conditions, the beam lifetime is projected to be less than 7~minutes at low intensity with the current vacuum quality, and fewer than 100,000~turns at high intensity due to strong space-charge effects. The calculations presented here will guide strategies to mitigate emittance growth and inform future IOTA experiments.

43 PARTICLE ACCELERATORS↗

NASA NTRS1976

Control of thermal balance by a liquid circulating garment based on a mathematical representation of the human thermoregulatory system

Test data and a mathematical model of the human thermoregulatory system were used to investigate control of thermal balance by means of a liquid circulating garment (LCG). The test data were derived from five series of experiments in which environmental and metabolic conditions were varied parametrically as a function of several independent variables, including LCG flowrate, LCG inlet temperature, net environmental heat exchange, surrounding gas ventilation rate, ambient pressure, metabolic rate, and subjective/obligatory cooling control. The resultant data were used to relate skin temperature to LCG water temperature and flowrate, to assess a thermal comfort band, to demonstrate the relationship between metabolic rate and LCG heat dissipation, and so forth. The usefulness of the mathematical model as a tool for data interpretation and for generation of trends and relationships among the various physiological parameters was also investigated and verified.

Kuznetz, L. H.↗

NASA NTRS1978

Approach guidance logic for a tilt-rotor aircraft

The distinctive feature of a tilt-rotor aircraft is that the pilot can change the rotor mast angles to go from a helicopter configuration for take-off and landing to an airplane configuration for high cruise speeds and vice-versa. An approach path for such an aircraft is proposed and the logic required to fly along this path in the presence of wind is determined. The main contribution of this work is an efficient and, to my knowledge, new method for generating the nominal state and control histories taking into account an estimate of the mean wind velocity and direction. The method requires the solution of algebraic (mostly linear) equations to generate a 'universal nominal', and feedforward and feedback gains. Then, in flight the additional state and control corrections due to deviation in descent rate, deceleration, and flight in a steady wind are obtained by multiplying simple precalculated functions of time by descent rate, deceleration or sine and cosine components of the mean wind vector. Simulations of approach flights for different wind conditions, assuming perfect state information in the feedback signal, indicated satisfactory performance.

Beser, J.↗

NASA NTRS1979

Optimal control of the Shuttle-Tethered-Subsatellite system

Alternate control laws based on an application of the linear regulator problem are developed for possible use in the operation of the Shuttle-Tethered-Subsatellite system. Control is assumed to be provided only by modulating the tension level in the tether as a function of the difference between actual and commanded tether line length, length rate, in (orbital) plane swing angle and swing angle rate. Necessary and sufficient conditions for stability of the (linear) system motion in the vicinity of its nominal local vertical orientation are developed. By proper selection of the state and control penalty matrices it is possible to obtain faster responses with no increase in maximum power levels for use in station keeping when compared with alternate control strategies. The weighting matrices are adjusted in a piecewise adaptive manner to provide control law gains in order to achieve a smooth deployment history. Successful retrieval is dependent mainly on the initial conditions and the rate at which the commanded length is reduced.

Bainum, P. M.↗

NASA NTRS1988

Axisymmetric confined turbulent jet directed towards the liquid surface from below

A numerical simulation is presented of an axisymmetric turbulent jet discharging axially from below into a cylindrical tank and directed towards the liquid vapor interface. The liquid vapor interface is assumed to be flat and shear free. The k-epsilon turbulence model is used to calculate the eddy viscosity. The turbulence intensity distribution and the length scale associated with the k-epsilon model are calculated as functions of jet flow rates and systems parameters. Numerical results are compared with appropriate experimental data. The problems associated with the free surface boundary conditions for the turbulent quantities are discussed.

Hasan, Mohammad M.↗

NASA NTRS1989

Axisymmetric confined turbulent jet directed towards the liquid surface from below

Hasan, Mohammad M.↗

DOE OSTI2025

A general kinetic framework for dislocation mobility derived from probabilistic cellular automaton simulations of the kink-pair mechanism

Dislocation mobility laws are essential components of dislocation-density-based crystal plasticity models. For dislocations governed by the kink-pair mechanism, however, existing formulations are typically limited to specific regimes due to the com plex interplay between stochastic kink-pair nucleation and lateral kink migration. In this work, we develop a general kinetic framework that expresses the average dislocation velocity as a function of mechanism-level variables: positive/negative kink pair nucleation rates, kink migration velocity, dislocation segment length, critical kink-pair width, and kink height. Probabilis tic cellular automaton simulations are used to capture the behavior of conceptual dislocation segments between the limiting conditions of migration outpacing nucleation on the one end and nucleation outpacing migration on the other. An elemen tary functional form that captures the system dynamics is suggested and fitted against the simulation results. This framework remains valid for arbitrary combinations of the six variables and is, therefore, compatible with any admissible constitutive re lations that describe their stress and temperature dependence. Comparisons with established approaches and experimental results confirm the robustness and physical consistency of the formulation, making it broadly applicable to material systems in which dislocation motion is governed by the kink-pair mechanism.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Numerical identification of boundary conditions on nonlinearly radiating inverse heat conduction problems

An explicit and unconditionally stable finite difference method for the solution of the transient inverse heat conduction problem in a semi-infinite or finite slab mediums subject to nonlinear radiation boundary conditions is presented. After measuring two interior temperature histories, the mollification method is used to determine the surface transient heat source if the energy radiation law is known. Alternatively, if the active surface is heated by a source at a rate proportional to a given function, the nonlinear surface radiation law is then recovered as a function of the interface temperature when the problem is feasible. Two typical examples corresponding to Newton cooling law and Stefan-Boltzmann radiation law respectively are illustrated. In all cases, the method predicts the surface conditions with an accuracy suitable for many practical purposes.

Murio, Diego A.↗

DOE OSTI2024

Computationally efficient and error aware surrogate construction for numerical solutions of subsurface flow through porous media

Limiting the injection rate to restrict the pressure below a threshold at a critical location can be an important goal of simulations that model the subsurface pressure between injection and extraction wells. The pressure is approximated by the solution of Darcy’s partial differential equation for a given permeability field. The subsurface permeability is modeled as a random field since it is known only up to statistical properties. This induces uncertainty in the computed pressure. Solving the partial differential equation for an ensemble of random permeability simulations enables estimating a probability distribution for the pressure at the critical location. These simulations are computationally expensive, and practitioners often need rapid online guidance for real-time pressure management. An ensemble of numerical partial differential equation solutions is used to construct a Gaussian process regression model that can quickly predict the pressure at the critical location as a function of the extraction rate and permeability realization. The Gaussian process surrogate analyzes the ensemble of numerical pressure solutions at the critical location as noisy observations of the true pressure solution, enabling robust inference using the conditional Gaussian process distribution. Our first novel contribution is to identify a sampling methodology for the random environment and matching kernel technology for which fitting the Gaussian process regression model scales as O ( n log n ) instead of the typical O ( n 3 ) rate in the number of samples n used to fit the surrogate. The surrogate model allows almost instantaneous predictions for the pressure at the critical location as a function of the extraction rate and permeability realization. Our second contribution is a novel algorithm to calibrate the uncertainty in the surrogate model to the discrepancy between the true pressure solution of Darcy’s equation and the numerical solution. Finally, although our method is derived for building a surrogate for the solution of Darcy’s equation with a random permeability field, the framework broadly applies to solutions of other partial differential equations with random coefficients.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1982

Growth rate calculations of auroral kilometric radiation using the relativistic resonance condition

The relativistic cyclotron resonance condition for right-handed extraordinary mode waves defines an ellipse in velocity space. The position of the center and size of the semiminor axis of this ellipse are functions of the plasma frequency, gyrofrequency, wave frequency, and wave normal angle. The effect of varying these parameters on the position and size of the resonance contour is analyzed. The results show that as the wave normal angle decreases, the semiminor axis increases in size and as the plasma frequency to gyrofrequency ratio decreases, the minimum energy for resonating electrons decreases and the maximum wave normal angle allowed by the resonance condition increases. Also, as the wave frequency to gyrofrequency ratio increases, the center of the resonance ellipse moves away from the origin. The relativistic resonance condition and the electron distribution in velocity space obtained by the S3-3 satellite are used to calculate numerically growth rates for the terrestrial auroral kilometric radiation. It is shown that the loss cone region of the electron distribution can give rise to growth rates for the extraordinary mode that are sufficiently large to account for the observed radio emission intensities.

Omidi, N.↗

NASA NTRS1980

Aerothermal analysis of a wing-elevon cove with variable leakage

A mathematical model of the heating associated with leakage within the space shuttle orbiter wing elevon cove was used to analyze the aerothermal response of the structure. The analysis was applied to wind tunnel results and to shuttle entry conditions. A parametric study described the mechanism by which the energy of the ingested mass is distributed as a function of the Reynolds number, wall conductivity, surface emissivity, and cove height and length. The rate at which energy was transferred into the cove interior was primarily determined by the combined effects of the convection, wall capacitance, and internal radiation terms. Correlation with wind tunnel results indicated that the cold wall convective heating rates, wall temperature, and gas temperature of the cove were predicted by the analytical model for short exposure times. Predicted transient thermal response of the elevon cove subjected to shuttle entry conditions indicated that the allowable leak area at the cove seal was 20 percent less than that previously indicated by experiment.

Hunt, R. L.↗

DOE OSTI2017

Retention of Cr in Meta-kaolin-based geo-polymeric Materials under Oxidation and Carbonation - 17453

Alkali activated alumino-silicates, often referred to as geo-polymers, are considered promising immobilization matrices for contaminants due to their high sorption capacity, durability and low leachability. For some contaminants they may prove superior to cement pastes that are conventional immobilization materials in waste management applications. However, estimating the retention capacity of some contaminants under environmental conditions that include oxidation and carbonation and may induce a valance change, is complicated. These contaminants tend to be soluble under oxidizing condition and form precipitates under reducing conditions. Thus, contaminant retention is highly dependent on the initial oxidation state at which the metal was introduced, as well as the matrix sorption ability, ability to resist oxidation and carbonation, and the contaminant leachability. Moreover, carbonation in considered one of the most important degradation mechanisms in cementitious material, causing porosity reduction and significant changes in contaminant leachability, however, geo-polymers have considerably lower Ca content relative to cements, or none, and the effect of carbonation on these pastes is less clear. Thus, contaminant release mechanisms and rates must be estimated based upon exposure to various atmospheres appropriate to waste management applications. In this study we aim to estimate the sorption capacity, and leachability of Cr from a meta-kaolin based geo-polymer, doped with Cr, as a function of its oxidation state and carbonation. Cr has a high valance range from +6 to 0 similar to Tc, and is used as its simulant in the current study. Sodium dichromate was used as an oxidized source metal material. To induce reducing conditions, ascorbic acid was added except for experimental control cases. The samples were aged under N{sub 2}, 98% N{sub 2} + 2% CO{sub 2}, CO{sub 2} deficient air and air environments under constant relative humidity. Following aging, samples were subject to equilibrium leaching as a function of pH (EPA Method 1313) and monolith mass transport rate testing (EPA Method 1315). Mass balance calculations, based on the results of a pH dependent leaching test, have shown that oxidized Cr samples lost 85-95% of their Cr content, whereas, the reduced Cr samples lost only 20% of their Cr content. On the other hand, the leachability of Si and Al is much higher in the reduced-Cr samples then in the samples with oxidized Cr, and their natural pH is up to 2.5 pH units lower than that of the oxidizing cases. Thus, we conclude that the combination of the reducing agent and the spike chemistry influence the matrix formation. Sample aging have not resulted in any significant change in the Cr-leaching behavior of the oxidizing matrices in the pH dependent leaching test, although a significant decrease in the natural pH, of 1.5 pH unit, was observed upon exposure to elevated CO{sub 2} levels (2%), probably due to the formation of Na-carbonate species. The pH and leaching behavior of the reduced Cr samples under the various aging conditions have not yielded significant variation either in their natural pH or in their leaching behavior. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Convergence behavior of the random phase approximation renormalized correlation energy

Based on the random phase approximation (RPA), RPA renormalization is a robust many-body perturbation theory that works for molecules and materials because it does not diverge as the Kohn-Sham gap approaches zero. Additionally, RPA renormalization enables the simultaneous calculation of RPA and beyond-RPA correlation energies since the total correlation energy is the sum of a series of independent contributions. The first-order approximation (RPAr1) yields the dominant beyond-RPA contribution to the correlation energy for a given exchange-correlation kernel, but systematically underestimates the total beyond-RPA correction. For both the homogeneous electron gas model and real systems, we demonstrate numerically that RPA renormalization beyond first order converges monotonically to the infinite-order beyond-RPA correlation energy for several model exchange-correlation kernels and that the rate of convergence is principally determined by the choice of the kernel and spin polarization of the ground state. The monotonic convergence is rationalized from an analysis of the RPA renormalized correlation energy corrections, assuming the exchange-correlation kernel and response functions satisfy some reasonable conditions. In this work, for spin-unpolarized atoms, molecules, and bulk solids, we find that RPA renormalization is typically converged to 1 meV error or less by fourth order regardless of the band gap or dimensionality. Most spin-polarized systems converge at a slightly slower rate, with errors on the order of 10 meV at fourth order and typically requiring up to sixth order to reach 1 meV error or less. Slowest to converge, however, open-shell atoms present the most challenging case and require many higher orders to converge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1978

Evaluation of a locally homogeneous model of spray evaporation

Measurements were conducted on an evaporating spray in a stagnant environment. The spray was formed using an air-atomizing injector to yield a Sauter mean diameter of the order of 30 microns. The region where evaporation occurred extended approximately 1 m from the injector for the test conditions. Profiles of mean velocity, temperature, composition, and drop size distribution, as well as velocity fluctuations and Reynolds stress, were measured. The results are compared with a locally homogeneous two-phase flow model which implies no velocity difference and thermodynamic equilibrium between the phases. The flow was represented by a k-epsilon-g turbulence model employing a clipped Gaussian probability density function for mixture fraction fluctuations. The model provides a good representation of earlier single-phase jet measurements, but generally overestimates the rate of development of the spray. Using the model predictions to represent conditions along the centerline of the spray, drop life-history calculations were conducted which indicate that these discrepancies are due to slip and loss of thermodynamic equilibrium between the phases.

Shearer, A. J.↗

DOE OSTI2020

Closed-form solutions towards real-time energy-optimal and collision-free speed planning with limited information

Under real-world driving conditions, available information is limited due to communication range, and connected and automated vehicles (CAVs) must plan and follow energy-optimal and collision-free speed trajectory with a high updating rate. To this end, this paper presents a holistic design of a speed planning algorithm using analytical closed-form optimal solutions. Using the simplest vehicle model, we derive closed-form solutions as a function of boundary conditions, and summarize them without and with state constraints imposed by speed limits and vehicle in front. Then, we introduce multiple modes (e.g., eco-approach to traffic signal) to properly respond dynamically changing situations, and present how to set boundary conditions for each mode, while guaranteeing nature of globally optimal solutions. Finally, we perform a large-scale simulation study to identify and quantify the energy impacts of CAVs for real-world driving routes. A simple but effective algorithm based on closed-form solutions shows a significant energy saving potential in comparison with human-driven vehicle and adaptive cruise controlled vehicle with connectivity.

Han, Jihun↗

NASA NTRS1981

Linear theory of tearing in a high-beta plasma

The linear dispersion relation for a collisionless plasma in a sheared one-dimensional current sheet is calculated with reference to conditions in the daytime magnetopause. Calculations are extended to include plasmas with beta approximately equal to 1. It is found that the tearing mode eigenstructure and temporal growth rate are a sensitive function of the ratios l sub s/l sub G, l sub s/l sub T, and l sub s/l sub n, where l sub s is the shearing length of the magnetic field, l sub G is the gradient scale length, and l sub T is the temperature gradient scale length. In particular, if beta is approximately equal to 1, and l sub s is less than l sub G, l sub n, and l sub T, then the thickness of the layer over which particles are resonantly accelerated by the induction magnetic field is approximately rho, a thermal gyroradius. If the above conditions are not satisfied, plasma gradients may electrostatically stabilize the mode.

Quest, K. B.↗

DOE OSTI2018

Ambient Electrosynthesis of Ammonia: Electrode Porosity and Composition Engineering

Ammonia, a key precursor for fertilizer production, convenient hydrogen carrier, and emerging clean fuel, plays a pivotal role in sustaining life on Earth. Currently, the main route for NH 3 synthesis is by the heterogeneous catalytic Haber–Bosch process (N 2 +3 H 2 →2 NH 3 ), which proceeds under extreme conditions of temperature and pressure with a very large carbon footprint. Herein we report that a pristine nitrogen–doped nanoporous graphitic carbon membrane (NCM) can electrochemically convert N 2 into NH 3 in an acidic aqueous solution under ambient conditions. The Faradaic efficiency and rate of production of NH 3 on the NCM electrode reach 5.2 % and 0.08 g m –2 h –1 , respectively. Functionalization of the NCM with Au nanoparticles dramatically enhances these performance metrics to 22 % and 0.36 gm –2 h –1 , respectively. In conclusion, as this system offers the potential to be scaled to industrial levels it is highly likely that it might displace the century-old Haber–Bosch process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2017

Atmospheric Pressure Ionization Using a High Voltage Target Compared to Electrospray Ionization

A new atmospheric pressure ionization (API) source, viz. UniSpray, was evaluated for mass spectrometry (MS) analysis of pharmaceutical compounds by head-to-head comparison with electrospray ionization (ESI) on the same high-resolution MS system. The atmospheric pressure ionization source is composed of a grounded nebulizer spraying onto a high voltage, cylindrical stainless steel target. Molecules are ionized in a similar fashion to electrospray ionization, predominantly producing protonated or deprotonated species. Adduct formation (e.g., proton and sodium adducts) and in-source fragmentation is shown to be almost identical between the two sources. The performance of the new API source was compared with electrospray by infusion of a mix of 22 pharmaceutical compounds with a wide variety of functional groups and physico-chemical properties (molecular weight, logP, and pKa) in more than 100 different conditions (mobile phase strength, solvents, pH, and flow rate). The new API source shows an intensity gain of a factor 2.2 compared with ESI considering all conditions on all compounds tested. Finally, some hypotheses on the ionization mechanism, similarities, and differences with ESI, are discussed. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗