Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “energy use behavior”

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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Space Charge Forces analytical model for emittance compensation

Space charge forces represent main induced effects in an RF-injector that degrade the beam quality. In this scenario the laser distribution sent on the photocathode acquires an important role in the emittance compensation process, as the slice analysis shows. Starting from the preliminary studies performed on [1], a novel semi-analytical model of space charge forces is proposed in detail for bunch with arbitrary charge distribution to derive expressions of self-induced forces. The performance of the fields at low energy regime (as the field has not expired RF forces) is under present analysis, we can investigate use of this model in low charge regime. Further, the model has been bench-marked with the behavior of the distributions present in the literature and studied for new ones. It has also been applied for the study of the optimization of a C-band hybrid photoinjector now being commissioned, thus explaining the factor two reduction of the emittance observed at the exit of the gun by changing the initial distribution at the cathode.

Carillo, M.↗
DOE OSTI2022

Artificial intelligence in computational materials science

In this themed collection we aim to broadly review some of the critical, recent progress in the application of AI/ML to various aspects of computational materials science and materials science more broadly. In this collection spread across two issues, we have assembled a collection of articles from leaders in the broad domain of applying AI/ML, which we collectively refer to as ML, in computational materials science. Together these articles curate the critical, recent progress in the application of ML to various aspects of materials science. Furthermore, these include ML approaches for understanding and driving electron microscopy, designing energy materials and the discovery of principles and materials relevant to the design of materials for the future, studying crystal nucleation and growth, the use of ML to describe force fields governing material and molecular behavior, and other topics.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Liquid Engine Jet Atomization Workshop report

The workshop was oriented to disclose information and unsettled problems to understand the fundamental physical mechanism of the droplet formation process. Based on presentation and discussion of results, recommendations were made which should lead to associated future activities. To accomplish this task, existing observations and experiments, contributing to the basic knowledge, providing data for analytical concept verification, and forming a basis for empirical correlations were solicited. Advanced analytical modeling methods or results from specific studies were requested as well as the experience and advice from injector designers. All effort is directed to advance current analytical techniques, simulating the flow behavior downstream of the injection elements in a liquid rocket combustion chamber. Such a tool can be used to optimize injector designs with respect to short length weight savings, wall material protection, or large heat energy transport to a regenerative cooling fluid, while simultaneously achieving the maximum specific impulse in performance. The liquid atomization process also forms a sound basis for combustion instability analysis.

Gross, Klaus W.↗
NASA NTRS1992

Magnetic field maxima in the low latitude boundary layer

The magnetic field often exhibits a maximum in the earth's low-latitude boundary layer. Examples of this behavior are shown using data from the AMPTE/IRM spacecraft, and it is argued that two fundamentally distinct causes exist for the excess field: (1) a depression, within the layer, of the population of medium-energy ions of magnetospheric origin and (2) field curvature effects associated with undulations of the magnetopause itself.

Sonnerup, B.↗
NASA NTRS1995

Feasibility of Coupling Between a Single-Mode Elliptical-Core Fiber and a Single Mode Rib Waveguide Over Temperature

To determine the feasibility of coupling the output of an optical fiber to a rib waveguide in a temperature environment ranging from 20 C to 300 C, a theoretical calculation of the coupling efficiency between the two was investigated. This is a significant problem which needs to be addressed to determine whether an integrated optic device can function in a harsh temperature environment. Because the behavior of the integrated-optic device is polarization sensitive, a polarization-preserving optic fiber, via its elliptical core, was used to couple light with a known polarization into the device. To couple light energy efficiently from an optical fiber into a channel waveguide, the design of both components should provide for well-matched electric field profiles. The rib waveguide analyzed was the light input channel of an integrated-optic pressure sensor. Due to the complex geometry of the rib waveguide, there is no analytical solution to the wave equation for the guided modes. Approximation or numerical techniques must be utilized to determine the propagation constants and field patterns of the guide. In this study, three solution methods were used to determine the field profiles of both the fiber and guide: the effective-index method (EIM), Marcatili's approximation, and a Fourier method. These methods were utilized independently to calculate the electric field profile of a rib channel waveguide and elliptical fiber at two temperatures, 20 C and 300 C. These temperatures were chosen to represent a nominal and a high temperature that the device would experience. Using the electric field profile calculated from each method, the theoretical coupling efficiency between the single-mode optical fiber and rib waveguide was calculated using the overlap integral and results of the techniques compared. Initially, perfect alignment was assumed and the coupling efficiency calculated. Then, the coupling efficiency calculation was repeated for a range of transverse offsets at both temperatures. Results of the calculation indicate a high coupling efficiency can be achieved when the two components were properly aligned. The coupling efficiency was more sensitive to alignment offsets in the y direction than the x, due to the elliptical modal profile of both components. Changes in the coupling efficiency over temperature were found to be minimal.

Tuma, Margaret L.↗
NASA NTRS2001

Geomagnetic Cutoff Rigidity Computer Program: Theory, Software Description and Example

The access of charged particles to the earth from space through the geomagnetic field has been of interest since the discovery of the cosmic radiation. The early cosmic ray measurements found that cosmic ray intensity was ordered by the magnetic latitude and the concept of cutoff rigidity was developed. The pioneering work of Stoermer resulted in the theory of particle motion in the geomagnetic field, but the fundamental mathematical equations developed have 'no solution in closed form'. This difficulty has forced researchers to use the 'brute force' technique of numerical integration of individual trajectories to ascertain the behavior of trajectory families or groups. This requires that many of the trajectories must be traced in order to determine what energy (or rigidity) a charged particle must have to penetrate the magnetic field and arrive at a specified position. It turned out the cutoff rigidity was not a simple quantity but had many unanticipated complexities that required many hundreds if not thousands of individual trajectory calculations to solve. The accurate calculation of particle trajectories in the earth's magnetic field is a fundamental problem that limited the efficient utilization of cosmic ray measurements during the early years of cosmic ray research. As the power of computers has improved over the decades, the numerical integration procedure has grown more tractable, and magnetic field models of increasing accuracy and complexity have been utilized. This report is documentation of a general FORTRAN computer program to trace the trajectory of a charged particle of a specified rigidity from a specified position and direction through a model of the geomagnetic field.

Smart, D. F.↗
NASA NTRS2021

Ionization Efficiency in the Dayside Ionosphere of Mars: Structure and Variability

Ionization efficiency, the ratio between photoelectron impact ionization and primary photoionization, is an important quantity from the perspective of ionospheric energy balance and as a quantity to be parameterized for use in global simulations. We investigate ionization efficiency using MAVEN in situ measurements of solar extreme ultraviolet (EUV) flux, suprathermal electron flux, and neutral density. Its behavior with respect to pressure and solar zenith angle (SZA) is explained by ionization cross-sections and photoabsorption, plus photoelectron transport near the terminator. We find similar ionization efficiencies between the species CO 2 , O, N 2 , and CO, with Argon ∼40% higher, explained largely by its higher ionization potential. Efficiency depends positively on solar activity, increasing by ∼50–100% (depending on season) from low to moderate solar EUV levels, before flattening at higher EUV levels. EUV spectral hardening appears to be responsible for only ∼15% of this increase, the remainder best explained by variability in neutral composition. We find a negligible dependence of ionization efficiency on the strength and direction of crustal magnetic fields. Efficiencies agree poorly with the theoretical model of Nicholson et al. (2009), https://doi.org/10.1111/j.1365-2966.2009.15463.x, possibly reflecting differences in model versus measured solar EUV spectrum and neutral densities. We fit the data to the empirical parameterization of Mendillo et al. (2011), https://doi.org/10.1029/2011ja016865 but find that a single fit cannot capture ionization efficiency behavior across all dayside SZA values. We believe that an empirical model of Mars ionization efficiency will require MAVEN data and validated transport modeling to reach to sufficiently high pressures to capture Mars' photochemical peaks M1 and M2

Robert Lillis↗
NASA NTRS1992

The solution of coupled Schroedinger equations using an extrapolation method

In this paper, extrapolation to the limit in a finite-difference method is applied to solve a system of coupled Schroedinger equations. This combination results in a method that only requires knowledge of the potential energy functions for the system. This numerical procedure has several distinct advantages over the more conventional methods. Namely, initial guesses for the term values are not needed; assumptions need be made about the behavior of the wavefunctions, such as the slope or magnitude in the nonclassical region; and the algorithm is easy to implement, has a firm mathematical foundation, and provides error estimates. Moreover, the method is less sensitive to round-off error than other methods since a small number of mesh points is used and it can be implemented on small computers. A comparison of the method with another numerical method shows results agreeing within 1 part in 10 exp 4.

Goorvitch, D.↗
DOE OSTI2023

Quantifying resonance behavior in the fusion of O 17 with C 12 at above-barrier energies

Recent measurement of the fusion excitation function for 17 O + 12 C reported the significant suppression of the fusion cross section at E c.m. ≈ 14 MeV. This suppression was hypothesized to signal the existence of a 16 O + n + 12 C molecular configuration. Using the active-target detector MuSIC@Indiana provided an effective means of reexamining the fusion excitation function for 17 O + 12 C.The accuracy of this thick-target measurement is strengthened through comparison with the thin-target measurement of the excitation function for 17 F + 12 C. Furthermore, the result provides important information about the dependence of the average fusion cross section for the oxygen isotopic chain on neutron excess.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Minimal cyclic behavior in sheared amorphous solids

Although jammed packings of soft spheres exist in potential energy landscapes with a vast number of minima, when subjected to cyclic shear they may revisit the same configurations repeatedly. Simple hysteretic spin models, in which particle rearrangements are represented by interacting spin flips called hysterons, capture many features of this periodic behavior. Yet it has been unclear to what extent individual rearrangements can be described by such binary objects and how such objects interact with one another. Using a particularly sensitive algorithm, we identify rearrangements in simulated jammed packings and select pairs of rearrangements that undo one another to create periodic cyclic behavior. We find that the rearrangement pairs surprisingly persist down to the smallest increments in strain, even in the smallest systems we can study. We explore the statistics of these rearrangement pairs and find that there is a relation between the amount of hysteresis and the energy drop and mean-square displacement of the particles; these results are inconsistent with the scaling found in models that treat rearrangements as localized buckling events. Finally, our analysis shows that there is no clean distinction between the particle motions that represent the identity of a single, individual rearrangement and the particle motions that lead to interactions between separated rearrangements or hysterons. These results offer insight into how complex systems such as amorphous solids can reach a limit cycle.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Understanding the effect of crystal anisotropy on grain growth, texturing and transport via the orthorhombic ?-U system [Slides]

The alpha phase of uranium exhibits the orthorhombic crystal structure, resulting in significant physical property anisotropy. These complex properties make the material challenging to work with in engineering settings but provide a rich arena to investigate the fundamental, multi-scale effects of anisotropy on physical behaviors such as grain growth and microstructure evolution under irradiation. We apply molecular dynamics and phase field modeling to study mass transport and grain growth in alpha-uranium. We characterize the mobilities of crystalline defects and the interfacial energy, and We find that the grain boundary energy is highly variable depending on the interface structure and that the relative rates of defect transport change with temperature. We also find that anisotropic thermal expansion has a significant impact on grain growth kinetics and texture development. Our results are used to explain experimental observations and to provide a basis for further hypotheses into the complex physical behavior of alpha-uranium.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Advanced Characterization of Particulate Flows for Concentrating Solar Power Applications

The overarching goal of this project was to gain a greater fundamental understanding of heat and mass transfer in particulate-media in concentrated solar power (CSP) applications for thermal energy storage (TES) and to disseminate results to support parallel Gen3 research initiatives. Project objectives were achieved through three planned project phases to systematically characterize the heat transfer and flow properties for particulate (granular) flows at elevated temperatures up to 800 °C. These objectives were accomplished using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures. This work addressed a serious gap within the field related to the understanding and modeling of granular flow behavior and the related heat transfer at different temperatures, which directly correspond to the operating points of CSP applications which use particles for heat storage.

14 SOLAR ENERGY↗
NASA NTRS2024

Finite Element Simulation of the Direct Energy Deposition using Comsol Multiphysics

Direct Energy Deposition (DED) is an emerging technology extensively employed in metal Additive Manufacturing (AM). Despite its widespread industrial application, mathematical modeling in this domain remains challenging. This complexity arises from the intricate nature of the modeling approach and the nonlinear behavior of material parameters across a broad temperature range. Consequently, experimentalists often resort to a trial-and-error method to achieve structures with desired properties. However, this approach can be time-consuming and may not always yield parts with the requisite characteristics, highlighting the necessity for mathematical modeling to enhance manufacturing success. This study focuses on thin-walled manufacturing with a single bead thickness, adjusting laser parameters to produce such structures. The laser cladding speed, typical for DED manufacturing, is considered to be on the order of centimeters per second. The various wall thicknesses and heights are explored to discern the general characteristics of walls manufactured via this DED approach. Our modeling approach diverges from the conventional DED modeling based on activation-deactivation of predefined mesh domains, commonly implemented in many finite element codes. Instead, a method is proposed that effectively models layer cladding and melt pool dynamics, enabling predictions of the microstructure in the resulting structures. The formation mechanisms of cellular, dendritic columnar, and stray (equiaxed) grains, which arise from the interplay between nucleation and growth from the surface is analyzed. The study also examines the feasibility of microstructure formation to demonstrate the various thermal characteristics inherent in wall manufacturing. Our results illustrate how different process parameters influence the temperature gradient and cooling rate of the molten pool, subsequently affecting the primary dendrite arm spacing (PDAS). This modeling technique allows for the investigation of diverse thermal conditions, facilitating the prediction of microstructure and residual stresses in the manufactured parts.

modeling↗
DOE OSTI2020

The effect of microstructure on the relationship between grain boundary sliding and slip transmission in high purity aluminum

The relationship between grain boundary sliding (GBS) and slip transmission is investigated experimentally at grain boundaries in 99.99% aluminum with a through-thickness, coarse grained microstructure deformed in tension at 190 °C. Using scanning electron microscope enabled digital image correlation (SEM-DIC) and electron backscatter diffraction (EBSD), high resolution strain fields and microstructural information were measured to examine the influence of microstructural neighborhoods on interactions between GBS and slip transmission and strain localization. Several distinct cases are presented that highlight important microstructural factors that govern deformation near grain boundaries. The findings include (1) direct transmission and GBS were anti-compatible and facilitated by opposing boundary types (low misorientation and high energy grain boundaries respectively); (2) increased GBS activity was correlated with decreased indirect transmission behavior; (3) GBS accommodation at triple junctions was enabled by intragranular plasticity; and (4) the local intragranular plastic strain discontinuity between grains determined the magnitude of GBS gradients. Finally, this work provides insight into the nature of these mechanisms and can be used to identify strain transfer criteria that can lead to improved GBS-sensitive crystal plasticity models.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Prediction of structure and cation ordering in an ordered normal-inverse double spinel

Abstract Spinels represent an important class of technologically relevant materials, used in diverse applications ranging from dielectrics, sensors and energy materials. While solid solutions combining two “single spinels” have been explored in a number of past studies, no ordered “double” spinels have been reported. Based on our first principles computations, here we predict the existence of such a double spinel compound MgAlGaO 4 , formed by an equimolar mixing of MgAl 2 O 4 normal and MgGa 2 O 4 inverse spinels. After studying the details of its atomic and electronic structure, we use a cluster expansion based effective Hamiltonian approach with Monte Carlo simulations to study the thermodynamic behavior and cation distribution as a function of temperature. Our simulations provide strong evidence for short-ranged cation order in the double spinel structure, even at significantly elevated temperatures. Finally, an attempt was made to synthesize the predicted double spinel compound. Energy Dispersive X-ray Spectrometry and X-ray diffraction Rietveld refinements were performed to characterize the single-phase chemical composition and local configurational environments, which showed a favorable agreement with the theoretical predictions. These findings suggest that a much larger number of compounds can potentially be realized within this chemical space, opening new avenues for the design of spinel-structured materials with tailored functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Synthesis of Alkoxy-TEMPO Aminoxyl Radicals and Electrochemical Characterization in Acetonitrile for Energy Storage Applications

In this paper, we describe the synthesis and characterization of alkoxylated TEMPO, (2,2,6,6-tetramethylpiperidin-1-yl)oxyl, radicals with potential application in organic non-aqueous redox flow batteries. The behavior of a series of TEMPO derivatives with varying lengths of alkoxy chain is analyzed in acetonitrile solutions using electrochemistry techniques, electron paramagnetic resonance (EPR) spectroscopy, and measurements of permeability through three different membranes. Electrochemical redox potentials are only weakly dependent on the substituent, but, in contrast, exchange current densities derived from the data do depend on the substitution. EPR lends further insight into these properties via the determination of hyperfine splitting constant and rotational correlation time. There is a negligible effect of the substituents on those parameters among the modified TEMPO radicals. Finally, permeation rates of modified TEMPO derivatives through membranes depend significantly on both the membrane and the substitution of TEMPO, providing insights into capacity fade measurements in the literature.

25 ENERGY STORAGE↗
NASA NTRS1988

Thermal analysis of heat storage canisters for a solar dynamic, space power system

A thermal analysis was performed of a thermal energy storage canister of a type suggested for use in a solar receiver for an orbiting Brayton cycle power system. Energy storage for the eclipse portion of the cycle is provided by the latent heat of a eutectic mixture of LiF and CaF2 contained in the canister. The chief motivation for the study is the prediction of vapor void effects on temperature profiles and the identification of possible differences between ground test data and projected behavior in microgravity. The first phase of this study is based on a two-dimensional, cylindrical coordinates model using an interim procedure for describing void behavor in 1-g and microgravity. The thermal analysis includes the effects of solidification front behavior, conduction in liquid/solid salt and canister materials, void growth and shrinkage, radiant heat transfer across the void, and convection in the melt due to Marangoni-induced flow and, in 1-g, flow due to density gradients. A number of significant differences between 1-g and o-g behavior were found. This resulted from differences in void location relative to the maximum heat flux and a significantly smaller effective conductance in 0-g due to the absence of gravity-induced convection.

Wichner, R. P.↗