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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Exospheric temperature and composition from satellite beacon measurements

Routine measurements of the slab thickness of the ionosphere, from 1965 to 1971, are used to infer the changes in neutral temperature and ion composition at a mean latitude of 40 S. Values of neutral temperature at solar maximum are 5 to 10% above Northern Hemisphere backscatter results. The diurnal and seasonal changes agree closely with satellite drag and backscatter measurements, except that the maximum temperature occurs after sunset in winter. Winter night-time values of the O(+)/H(+) transition height were 500 km in 1965-1966, 800 km in 1968-1969, and 700 km in 1971. Changes in the transition height lag about six months behind the changes in solar flux. Diurnal variations have a minimum just before sunrise and a maximum 1 to 3 hr after noon. On winter nights the transition height descends to the level set by chemical equilibrium. On summer nights the transition height is always above this level, giving a continual production of H(+) which serves as an additional source for maintaining the night-time ionosphere in the winter hemisphere.

Titheridge, J. E.↗
NASA NTRS1994

Oscillator strengths of selected resonance transitions in neutral sulfur

Mean lives and branching ratios for the 4s (3)S(sup 0 sub 1) and 4s(double prime) (3)P(sup 0 sub 1, 2) levels of neutral sulfur were determined at the Toledo Heavy Ion Accelerator using beam-foil spectroscopic techniques. The mean lives obtained for the 4s (3)S(sup 0 sub 1) 4s(double prime) (3)P(sup 0 sub 1), and (3)P(sup 0 sub 2) levels, 1.875 +/- 0.094 ns, 2.034 +/- 0.102 ns, and 2.146 +/- 0.129 ns, respectively, represent the most accurate results available to date. Oscillator strengths for the transitions 3p(sup 4)(3)P(sub 2, 1, 0)-4s (3)S(sup 0 sub 1) and 3p(sup 4)(3)P(sub 2, 1, 0)-4s(double prime) (3)P(sup 0 sub 1, 2) were derived from these mean lives together with the measured branching ratios. For comparison with published results which present only multiplet f-values, such f-values were computed from the measured individual line oscillator strengths. The value obtained for the 3p(sup 4)(3)P-4s(sup 3)S(sup 0) multiplet at 1814 A is 0.088 +/- 0.005, in good agreement with the mean of previous experimental measurements and theoretical calculations. With the mean life for the 4s(double prime) 3P(sup 0 sub 0) level set equal to the mean of our determination for the other two 4s(double prime) (3)P(sup 0) levels (a valid assumption for LS coupling conditions, and consistent with the observed equality of the mean lives within the accuracy of our measurement), an oscillator strength for the 1299 A multiplet of 0.121 +/- 0.004 was found. Both results are in good agreement with recent large-scale theoretical calculations that incorporate the effects of configuration interaction.

Beideck, D. J.↗
DOE OSTI2024

Convergent ab initio analysis of the multi-channel HOBr + H reaction

High-level potential energy surfaces for three reactions of hypobromous acid with atomic hydrogen were computed at the CCSDTQ/CBS//CCSDT(Q)/complete basis set level of theory. Focal point analysis was utilized to extrapolate energies and gradients for energetics and optimizations, respectively. The H attack at Br and subsequent Br–O cleavage were found to proceed barrierlessly. The slightly submerged transition state lies −0.2 kcal mol−1 lower in energy than the reactants and produces OH and HBr. The two other studied reaction paths are the radical substitution to produce H2O and Br with a 4.0 kcal mol−1 barrier and the abstraction at hydrogen to produce BrO and H2 with an 11.2 kcal mol−1 barrier. The final product energies lie −37.2, −67.9, and −7.3 kcal mol−1 lower in energy than reactants, HOBr + H, for the sets of products OH + HBr, H2O + Br, and H2 + BrO, respectively. Additive corrections computed for the final energetics, particularly the zero-point vibrational energies and spin–orbit corrections, significantly impacted the final stationary point energies, with corrections up to 6.2 kcal mol−1.

Chemistry↗
DOE OSTI2021

Automatic Differentiation in MetaPhysicL and Its Applications in MOOSE

Efficient solution via Newton’s method of nonlinear systems of equations requires an accurate representation of the Jacobian, corresponding to the derivatives of the component residual equations with respect to the degrees of freedom. In practice these systems of equations often arise from spatial discretization of partial differential equations used to model physical phenomena. These equations may involve domain motion or material equations that are complex functions of the systems’ degrees of freedom. Computing the Jacobian by hand in these situations is arduous and prone to error. Finite difference approximations of the Jacobian or its action are prone to truncation error, especially in multiphysics settings. Symbolic differentiation packages may be used, but often result in an excessive number of terms in realistic model scenarios. An alternative to symbolic and numerical differentiation is automatic differentiation (AD), which propagates derivatives with every elementary operation of a computer program, corresponding to continual application of the chain rule. Automatic differentiation offers the guarantee of an exact Jacobian at a relatively small overhead cost. In this work, we outline the adoption of AD in the Multiphysics Object Oriented Simulation Environment (MOOSE) via the MetaPhysicL package. We describe the application of MOOSE’s AD capability to several sets of physics that were previously infeasible to model via hand-coded or Jacobian-free simulation techniques, including arbitrary Lagrangian-Eulerian and level-set simulations of laser melt pools, phase-field simulations with free energies provided through neural networks, and metallic nuclear fuel simulations that require inner Newton loop calculation of nonlinear material properties.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Omega-Limit Sets and Input-To-State Stability in Power Grids with Switching Equilibria

This paper studies a power transmission system with both conventional generators (CGs) and distributed energy assets (DEAs) providing frequency control. We consider an operating condition with demand aggregating two dynamic components: one that switches between different values on a finite set, and one that varies smoothly over time. Such dynamic operating conditions may result from protection scheme activations, external cyber-attacks, or due to the integration of dynamic loads, such as data centers. Mathematically, the dynamics of the resulting system are captured by a system that switches between a finite number of vector fields - or modes -, with each mode having a distinct equilibrium point induced by the demand aggregation. To analyze the stability properties of the resulting switching system, we leverage tools from hybrid dynamic inclusions and the concept of ..omega.. -limit sets from sets. Specifically, we characterize a compact set that is semi-globally practically asymptotically stable under the assumption that the switching frequency and load variation rate are sufficiently slow. For arbitrarily fast variations of the load, we use a level-set argument with multiple Lyapunov functions to establish input-to-state stability of a larger set and with respect to the rate of change of the loads. The theoretical results are illustrated via numerical simulations on the IEEE 39-bus test system.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2006

Space and Ground Trades for Human Exploration and Wearable Computing

Human exploration of the Moon and Mars will present unique trade study challenges as ground system elements shift to planetary bodies and perhaps eventually to the bodies of human explorers in the form of wearable computing technologies. This presentation will highlight some of the key space and ground trade issues that will face the Exploration Initiative as NASA begins designing systems for the sustained human exploration of the Moon and Mars, with an emphasis on wearable computing. We will present some preliminary test results and scenarios that demonstrate how wearable computing might affect the trade space noted below. We will first present some background on wearable computing and its utility to NASA's Exploration Initiative. Next, we will discuss three broad architectural themes, some key ground and space trade issues within those themes and how they relate to wearable computing. Lastly, we will present some preliminary test results and suggest guidance for proceeding in the assessment and creation of a value-added role for wearable computing in the Exploration Initiative. The three broad ground-space architectural trade themes we will discuss are: 1. Functional Shift and Distribution: To what extent, if any, should traditional ground system functionality be shifted to, and distributed among, the Earth, Moon/Mars, and the human. explorer? 2. Situational Awareness and Autonomy: How much situational awareness (e.g. environmental conditions, biometrics, etc.) and autonomy is required and desired, and where should these capabilities reside? 3. Functional Redundancy: What functions (e.g. command, control, analysis) should exist simultaneously on Earth, the Moon/Mars, and the human explorer? These three themes can serve as the axes of a three-dimensional trade space, within which architectural solutions reside. We will show how wearable computers can fit into this trade space and what the possible implications could be for the rest of the ground and space architecture(s). We intend this to be an example of explorer-centric thinking in a fully integrated explorer paradigm, where integrated explorer refers to a human explorer having instant access to all relevant data, knowledge of the environment, science models, health and safety-related events, and other tools and information via wearable computing technologies. The trade study approach will include involvement from the relevant stakeholders (Constellation Systems, CCCI, EVA Project Office, Astronaut office, Mission Operations, Space Life Sciences, etc.) to develop operations concepts (and/or operations scenarios) from which a basic high-level set of requirements could be extracted. This set of requirements could serve as a foundation (along with stakeholder buy-in) that would help define the trade space and assist in identifying candidate technologies for further study and evolution to higher-level technology readiness levels.

Lupisella, Mark↗
NASA NTRS1992

Consumables and wastes estimations for the First Lunar Outpost

The First Lunar Outpost mission is a design reference mission for the first human return to the moon. This paper describes a set of consumables and waste material estimations made on the basis of the First Lunar Outpost mission scenario developed by the NASA Exploration Programs Office. The study includes the definition of a functional interface framework and a top-level set of consumables and waste materials to be evaluated, the compilation of mass flow information from mission developers supplemented with information from the literature, and the analysis of the resulting mass flow information to gain insight about the possibility of material flow integration between the moon outpost elements. The results of the study of the details of the piloted mission and the habitat are used to identify areas where integration of consumables and wastes across different mission elements could provide possible launch mass savings.

Theis, Ronald L. A.↗
DOE OSTI2022

On the parameter combinations that matter and on those that do not: data-driven studies of parameter (non)identifiability

Abstract We present a data-driven approach to characterizing nonidentifiability of a model’s parameters and illustrate it through dynamic as well as steady kinetic models. By employing Diffusion Maps and their extensions, we discover the minimal combinations of parameters required to characterize the output behavior of a chemical system: a set of effective parameters for the model. Furthermore, we introduce and use a Conformal Autoencoder Neural Network technique, as well as a kernel-based Jointly Smooth Function technique, to disentangle the redundant parameter combinations that do not affect the output behavior from the ones that do. We discuss the interpretability of our data-driven effective parameters, and demonstrate the utility of the approach both for behavior prediction and parameter estimation. In the latter task, it becomes important to describe level sets in parameter space that are consistent with a particular output behavior. We validate our approach on a model of multisite phosphorylation, where a reduced set of effective parameters (nonlinear combinations of the physical ones) has previously been established analytically.

Evangelou, Nikolaos↗
DOE OSTI2021

A coupled discontinuous Galerkin-Finite Volume framework for solving gas dynamics over embedded geometries

Herein, we present a computational framework for solving the equations of inviscid gas dynamics using structured grids with embedded geometries. The novelty of the proposed approach is the use of high-order discontinuous Galerkin (dG) schemes and a shock-capturing Finite Volume (FV) scheme coupled via an hp adaptive mesh refinement (hp-AMR) strategy that offers high-order accurate resolution of the embedded geometries. The hp-AMR strategy is based on a multi-level block-structured domain partition in which each level is represented by block-structured Cartesian grids and the embedded geometry is represented implicitly by a level set function. The intersection of the embedded geometry with the grids produces the implicitly-defined mesh that consists of a collection of regular rectangular cells plus a relatively small number of irregular curved elements in the vicinity of the embedded boundaries. High-order quadrature rules for implicitly-defined domains enable high-order accuracy resolution of the curved elements with a cell-merging strategy to address the small-cell problem. The hp-AMR algorithm treats the system with a second-order finite volume scheme at the finest level to dynamically track the evolution of solution discontinuities while using dG schemes at coarser levels to provide high-order accuracy in smooth regions of the flow. On the dG levels, the methodology supports different orders of basis functions on different levels. The space-discretized governing equations are then advanced explicitly in time using high-order Runge-Kutta algorithms. Numerical tests are presented for two-dimensional and three-dimensional problems involving an ideal gas. The results are compared with both analytical solutions and experimental observations and demonstrate that the framework provides high-order accuracy for smooth flows and accurately captures solution discontinuities.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

CDC Bioreactor Configuration Method for Volume Level Control with Controlled Inlet and Outlet Flow

Environmental Control Life Support Systems and other microbiological biofilm studies often utilize small scale bioreactors. Among these options are the popular BioSurface CDC bioreactors, currently being utilized by Marshall Space Flight Center groups researching the impact of biofilms on life support systems. After a recent experimental regime, it was determined additional equipment could be added to augment the capabilities of the bioreactors. Previous research configurations such as ASTM E3161 – 18 relied on an outlet stream gravity draining from a side drain port located above sampling coupons. This limited applications to experimental conditions with a controlled inlet and uncontrolled outlet flow. With the introduction of a small single pole single throw (SPST) reed float switch, a peristaltic pump connected to the outlet drain and a chassis controller, the bioreactor is able to maintain a set level. The modification allows additional variables to be tested, including highly adjustable fill and flush cycles, bioreactor volume, draining and filling control. Once the configuration modifications were implemented through the installation of the new equipment, data was collected to ensure the stability of the level measurements. As the level control switch is a float switch, consideration was taken into account for effects of internal stirring speed, along with effects of inlet and outlet flow rate. Data presented in this study will illustrate the stability and effectiveness of the configuration changes in equipment made to the bioreactor. These configuration changes are proving an effective control method to conduct biofilm mitigation techniques for ECLSS hardware research. The controlled level capabilities allow for a constant drip feed flow rate into the bioreactors, a key aspect of the biofilm mitigation testing.

CDC Bioreactor↗
NASA NTRSDate not supplied

CDC Bioreactor Configuration Method for Volume Level Control with Controlled Inlet and Outlet Flow

Environmental Control Life Support Systems and other microbiological biofilm studies often utilize small scale bioreactors. Among these options are the popular BioSurface CDC bioreactors, currently being utilized by Marshall Space Flight Center groups researching the impact of biofilms on life support systems. After a recent experimental regime, it was determined additional equipment could be added to augment the capabilities of the bioreactors. Previous research configurations such as ASTM E3161-21 relied on an outlet stream gravity draining from a side drain port located above sampling coupons. This limited applications to experimental conditions with a controlled inlet and uncontrolled outlet flow. With the introduction of a small single pole single throw (SPST) reed float switch and a peristaltic pump connected to the outlet drain and a chassis controller, the bioreactor is able to maintain a set level. The modification allows additional variables to be tested, including highly adjustable fill and flush cycles, bioreactor volume, draining and filling control. Once the configuration modifications were implemented through the installation of the new equipment, data was collected to ensure the stability of the level measurements. As the level control switch is a float switch, consideration was taken into account for effects of internal stirring speed, along with effects of inlet and outlet flow rate. Data presented in this study will illustrate the stability and effectiveness of the configuration changes in equipment made to the bioreactor. These configuration changes have demonstrated control method to conduct biofilm mitigation techniques for ECLSS hardware research. The controlled level capabilities allow for a constant drip feed flow rate into the bioreactors, a key aspect of the biofilm mitigation testing.

CDC Bioreactor↗
NASA NTRSDate not supplied

CDC Bioreactor Configuration Method for Volume Level Control with Controlled Inlet and Outlet Flow

Environmental Control Life Support Systems and other microbiological biofilm studies often utilize small scale bioreactors. Among these options are the popular BioSurface CDC bioreactors, currently being utilized by Marshall Space Flight Center groups researching the impact of biofilms on life support systems. After a recent experimental regime, it was determined additional equipment could be added to augment the capabilities of the bioreactors. Previous research configurations such as ASTM E3161-21 relied on an outlet stream gravity draining from a side drain port located above sampling coupons. This limited applications to experimental conditions with a controlled inlet and uncontrolled outlet flow. With the introduction of a small single pole single throw (SPST) reed float switch and a peristaltic pump connected to the outlet drain and a chassis controller, the bioreactor is able to maintain a set level. The modification allows additional variables to be tested, including highly adjustable fill and flush cycles, bioreactor volume, draining and filling control. Once the configuration modifications were implemented through the installation of the new equipment, data was collected to ensure the stability of the level measurements. As the level control switch is a float switch, consideration was taken into account for effects of internal stirring speed, along with effects of inlet and outlet flow rate. Data presented in this study will illustrate the stability and effectiveness of the configuration changes in equipment made to the bioreactor. These configuration changes have demonstrated control method to conduct biofilm mitigation techniques for ECLSS hardware research. The controlled level capabilities allow for a constant drip feed flow rate into the bioreactors, a key aspect of the biofilm mitigation testing.

CDC Bioreactor↗
NASA NTRSDate not supplied

CDC Bioreactor Configuration Method for Volume Level Control with Controlled Inlet and Outlet Flow

Environmental Control Life Support Systems and other microbiological biofilm studies often utilize small scale bioreactors. Among these options are the popular BioSurface CDC bioreactors, currently being utilized by Marshall Space Flight Center groups researching the impact of biofilms on life support systems. After a recent experimental regime, it was determined additional equipment could be added to augment the capabilities of the bioreactors. Previous research configurations such as ASTM E3161-21 relied on an outlet stream gravity draining from a side drain port located above sampling coupons. This limited applications to experimental conditions with a controlled inlet and uncontrolled outlet flow. With the introduction of a small single pole single throw (SPST) reed float switch and a peristaltic pump connected to the outlet drain and a chassis controller, the bioreactor is able to maintain a set level. The modification allows additional variables to be tested, including highly adjustable fill and flush cycles, bioreactor volume, draining and filling control. Once the configuration modifications were implemented through the installation of the new equipment, data was collected to ensure the stability of the level measurements. As the level control switch is a float switch, consideration was taken into account for effects of internal stirring speed, along with effects of inlet and outlet flow rate. Data presented in this study will illustrate the stability and effectiveness of the configuration changes in equipment made to the bioreactor. These configuration changes have demonstrated control method to conduct biofilm mitigation techniques for ECLSS hardware research. The controlled level capabilities allow for a constant drip feed flow rate into the bioreactors, a key aspect of the biofilm mitigation testing.

CDC Bioreactor↗
DOE OSTI2020

Calculated Ionization Potentials of MO 3 and MO 2 for M = U, Mo, W, and Nd

Here, ionization potentials (IPs) for MO 3 and MO 2 for M = U, Mo, W, and Nd have been predicted using the Feller–Peterson–Dixon (FPD) approach at the coupled cluster CCSD(T)/complete basis set level including additional corrections. The additional corrections are mostly small, with spin-orbit effects contributing less than 0.05 eV, except for NdO 2 where the correction lowers the IP by 0.26 eV. The IPs for UO 3 and UO 2 are calculated to be 9.59 and 6.09 eV, respectively. The calculated IPs for MoO 3 and WO 3 are very similar, 11.13 and 11.11 eV, respectively, and MoO 2 and WO 2 are 8.51 and 8.79 eV, respectively. MoO 2 has a triplet ground state, whereas WO 2 has a singlet ground state. The calculated IP for NdO 2 is 7.90 eV. NdO 3 does not achieve a high +VI formal oxidation state on the lanthanide and has an IP of 7.80 eV. These calculated IPs are expected to have error bars of ±0.04 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A coupled fluid-mechanical workflow to simulate the directed energy deposition additive manufacturing process

Simulation of additive manufacturing processes can provide essential insight into material behavior, residual stress, and ultimately, the performance of additively manufactured parts. In this work, we describe a new simulation based workflow utilizing both solid mechanics and fluid mechanics based formulations within the finite element software package SIERRA (Sierra Solid Mechanics Team in Sierra/Solid Mechanics 4.52 User’s Guide SAND2019-2715. Technical report, Sandia National Laboratories, 2011) to enable integrated simulations of directed energy deposition (DED) additive manufacturing processes. In this methodology, a high-fidelity fluid mechanics based model of additive manufacturing is employed as the first step in a simulation workflow. This fluid model uses a level set field to track the location of the boundary between the solid material and background gas and precisely predicts temperatures and material deposition shapes from additive manufacturing process parameters. Next, the resulting deposition shape and temperature field from the fluid model are then mapped into a solid mechanics formulation to provide a more accurate surface topology for radiation and convection boundary conditions and a prescribed temperature field. Solid mechanics simulations are then conducted to predict the evolution of material stresses and microstructure within a part. By combining thermal history and deposition shape from fluid mechanics with residual stress and material property evolutions from solid mechanics, additional fidelity and precision are incorporated into additive manufacturing process simulations providing new insight into complex DED builds.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fuel Property Effects on Knock Propensity and Thermal Efficiency in a Direct-Injection Spark-Ignition Engine

Engine knock remains one of the major barriers to further improvement in thermal efficiency of Direct-Injection Spark-Ignition (DISI) engines. While Research Octane Number and Motor Octane Number are often used as standard rating methods for knock resistance of fuels, the impacts of other fuel properties on knock propensity in modern engines such as heat of vaporization (HoV) and laminar flame speed (LFS) require better understanding in order to co-optimize fuels and engine designs to achieve higher thermal efficiency and lower CO2 emission. In the present study, computational fluid dynamics (CFD) is used to model a boosted DISI engine with a focus on knock prediction and fuel property effects. A level-set G-equation model is employed to capture turbulent premixed combustion, and is coupled with a transported Livengood-Wu (L-W) integral approach to predict autoignition in the unburnt region. A criterion associated with the L-W integral is developed to accurately predict knock onset and knock-limited spark-advance. This model is then applied to a sensitivity analysis of HoV and LFS on knock tendency and thermal efficiency. The pressure-temperature trajectory framework is applied and extended to study the fuel effects on auto-ignition process in the engine. An existing efficiency-based merit function, which is derived from experiments for boosted SI engines, is evaluated and improved based on the current CFD results.

DISI↗
DOE OSTI2021

Symmetry-breaking in double gyroid block copolymer films by non-affine distortion

Soft-matter bicontinuous networks find a double gyroid structure from block copolymer (BCP) self-assembly. A gyroid structure composed of dissimilar blocks has proven its potential as a soft crystal capable of tuning structural periodicity and symmetry, of which the lattice dimension is variable with molecular weight of the polymer. Using an asymmetric polystyrene- b -poly(methyl methacrylate) (PS- b -PMMA), in this study we show that the self-assembled gyroid films formed via a solvent vapor annealing (SVA) process undergo unique structural distortion due to directional deformation immediately upon deswelling. During the SVA process with PS- b -PMMA films, transient cylinders developed from the as-cast morphology transform into a cubic gyroid structure in a swollen state. Rapid and spontaneous deswelling processes -the manners in which the films contract along the z-direction while retaining an enlarged lateral dimension of the cubic form -lead to triclinic gyroid structures with z-directional contraction ratios ( C z ) of 2.5 and 2.0, respectively. Our X-ray analysis reveals that the deswelling process of the swollen gyroid films produces a notable symmetry-breaking in non-affine gyroid structure that elicits several forbidden reflections such as {110} and {200} reflections. For further characterization of the symmetry-breaking, we delineate the structural features of noncubic gyroid films by computing electron-density difference maps assisted with X-ray measurements. Level-set approach is accordingly developed to quantitate the structural characteristics of the maps in terms of inversion symmetry-breaking, suggesting its possible application to optical Weyl photonic crystals.

36 MATERIALS SCIENCE↗