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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
DOE OSTI2026

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗
DOE OSTI2024

Regioisomeric Spirobifluorene CANAL Ladder Polymers and Their Gas Separation Performance

For this work, we synthesized and characterized two isomeric microporous hydrocarbon ladder polymers from catalytic arene norbornene annulation (CANAL) of regioisomeric bis-norbornene fused spirobifluorenes, where the ladder chains are connected either through the same fluorene unit or across two different fluorene units in spirobifluorene. This pair of isomeric polymers was used to investigate the effect of ladder macromolecular structures on the microporosity and transport properties. Both polymers form mechanically intact films with thermal stability up to 480 °C and relatively high BET surface areas. The polymer formed from 2,7-dibromospirobifluorene showed higher BET surface area and higher gas permeability than the polymer from 2,2'-dibromospirobifluorene despite similar intersegmental spacing as indicated by X-ray scattering. The aging behavior for both polymers followed the same trend as the previously reported CANAL-fluorene polymers, with dramatically increased permselectivities over time, resulting in gas separation performance above the 2008 upper bounds for H 2 /CH 4 and O 2 /N 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Destructive Error Interference in Product-Formula Lattice Simulation

Quantum computers can efficiently simulate the dynamics of quantum systems. Here, we study the cost of digitally simulating the dynamics of several physically relevant systems using the first-order product-formula algorithm. We show that the errors from different Trotterization steps in the algorithm can interfere destructively, yielding a much smaller error than previously estimated. In particular, we prove that the total error in simulating a nearest-neighbor interacting system of n sites for time t using the first-order product formula with r time slices is O ( n t / r + n t 3 / r 2 ) when n t 2 / r is less than a small constant. Given an error tolerance ϵ , the error bound yields an estimate of max { O ( n 2 t / ϵ ) , O ( n 2 t 3 / 2 / ϵ 1 / 2 ) } for the total gate count of the simulation. The estimate is tighter than previous bounds and matches the empirical performance observed in Childs et al. [ Proc. Natl. Acad. Sci. U.S.A. 115 , 9456 (2018) ]. We also provide numerical evidence for potential improvements and conjecture an even tighter estimate for the gate count.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Revisiting Theoretical Limits for One Degree-of-Freedom Wave Energy Converters

This work revisits the theoretical limits of one degree-of-freedom wave energy converters (WECs). This work considers the floating sphere used in the OES Task 10 WEC modeling and verification effort for analysis. Analytical equations are derived to determine bounds on displacement amplitude, time-averaged power (TAP), and power-take-off (PTO) force. A unique result found shows that the TAP absorbed by a WEC can be defined solely by the inertial properties and radiation hydrodynamic coefficients. In addition, a unique expression for the PTO force was derived that provides lower and upper bounds when resistive control is used to maximize power generation. For complex conjugate control, this same expression only provides a lower bound, as there is theoretically no upper bound. These bounds assist in comparing the performance of the floating sphere if it were to extract energy using surge or heave motion. The analysis shows because of differences in hydrodynamic coefficients for each oscillating mode, there are different frequency ranges that provide better power capture efficiency. The influence of a motion constraint on TAP while utilizing a nonideal power take-off is examined and found to reduce the losses associated with bidirectional energy flow. The expression to calculate TAP with a nonideal PTO is modified by the electrical conversion efficiency and the ratio of the PTO spring and damping coefficients. Furthermore, the PTO spring and damping coefficients were separated in the expression, allowing for limits to be set on the PTO coefficients to ensure net power generation.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Parametric Study of 239 Pu and 235 U Mass Equivalency in Spherical Geometries

In this technical document, parametric studies were performed to determine if a bounding mass equivalency can be used to simplify multi-material models in MCNP6 for criticality evaluations. The studies explored the simplification of MCNP6 models by substituting materials, particularly 239 Pu for 235 U. The initial hypothesis for the material simplification is based on the subcritical mass limits from the ANSI/ANS- 8.1 standard which states that for water reflected metal spheres the limits are 20.1 kg 235 U and 5.0 kg 239 Pu. Using those masses, it was hypothesized that a 20.1 kg sphere of 235 U and a 5.0 kg sphere of 239 Pu could be considered to have the same multiplication. Given that equivalency, 4kg 235 U could be modeled by 1kg 239 Pu (i.e., a mass ratio of 4:1). The parametric studies compare the materials 239 Pu and 235 U independently and in multi-material spherical models. Critical mass, critical thickness, critical mass ratio and critical thickness ratio values are presented as functions of inner radius. keff values are presented as a function of inner radius at different mass ratios and total masses. Results indicate that the conservative bounding mass equivalency is one. That is, if substituting 239 Pu for 235 U it should be done on a gram for gram basis.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1977

Analysis of the passive stabilization of the long duration exposure facility

The nominal Long Duration Exposure Facility (LDEF) configurations and the anticipated orbit parameters are presented. A linear steady state analysis was performed using these parameters. The effects of orbit eccentricity, solar pressure, aerodynamic pressure, magnetic dipole, and the magnetically anchored rate damper were evaluated to determine the configuration sensitivity to variations in these parameters. The worst case conditions for steady state errors were identified, and the performance capability calculated. Garber instability bounds were evaluated for the range of configuration and damping coefficients under consideration. The transient damping capabilities of the damper were examined, and the time constant as a function of damping coefficient and spacecraft moment of inertia determined. The capture capabilities of the damper were calculated, and the results combined with steady state, transient, and Garber instability analyses to select damper design parameters.

Siegel, S. H.↗
NASA NTRS1991

Balancing antagonistic time and resource utilization constraints in over-subscribed scheduling problems

In this paper, we report work aimed at applying concepts of constraint-based problem structuring and multi-perspective scheduling to an over-subscribed scheduling problem. Previous research has demonstrated the utility of these concepts as a means for effectively balancing conflicting objectives in constraint-relaxable scheduling problems, and our goal here is to provide evidence of their similar potential in the context of HST observation scheduling. To this end, we define and experimentally assess the performance of two time-bounded heuristic scheduling strategies in balancing the tradeoff between resource setup time minimization and satisfaction of absolute time constraints. The first strategy considered is motivated by dispatch-based manufacturing scheduling research, and employs a problem decomposition that concentrates local search on minimizing resource idle time due to setup activities. The second is motivated by research in opportunistic scheduling and advocates a problem decomposition that focuses attention on the goal activities that have the tightest temporal constraints. Analysis of experimental results gives evidence of differential superiority on the part of each strategy in different problem solving circumstances. A composite strategy based on recognition of characteristics of the current problem solving state is then defined and tested to illustrate the potential benefits of constraint-based problem structuring and multi-perspective scheduling in over-subscribe scheduling problems.

Smith, Stephen F.↗
NASA NTRS1992

Small experiments for the maturation of orbital cryogenic transfer technologies

The no-vent method is a promising approach to handling the problems of low-g venting during propellant transfer. A receiver tank is first cooled to remove thermal energy from the tank wall and the resultant vapor vented overboard. The nozzles mix the incoming liquid and residual vapor in the tank maintaining a thermodynamic state which allows the tank to fill with liquid without venting. Ground based testing at NASA Lewis Research Center (LeRC) has demonstrated the no-vent fill process and attempted to bound its low-gravity performance. But, low-gravity testing is required to validate the method. As an alternative to using a dedicated spacecraft for validation, several small scale experiments to study no-vent fill in low-g were formulated. Cost goals quickly limited the search to two possibilities: a secondary payload on the space shuttle, or a small scale sounding rocket experiment. The key issues of small scale experimentation are discussed, and a conceptual design of a sounding rocket experiment with liquid hydrogen for studying the fill process is presented.

Chato, David J.↗
NASA NTRS1992

Small experiments for the maturation of orbital cryogenic transfer technologies

The no-vent fill method is a promising approach to handle the problems of low-g venting during propellant transfer. A receiver tank is first cooled to remove thermal energy from the tank wall and the resultant vapor vented overboard. Then nozzles mix the incoming liquid and residual vapor in the tank maintaining a thermodynamic state which allows the tank to fill with liquid without venting. Ground based testing at NASA Lewis Research Center (LeRC) has demonstrated the no-vent fill process and attempted to bound its low-gravity performance. But, low-gravity testing is required to validate the method. As an alternative to using a dedicated spacecraft for validation the authors have formulated several small scale experiments to study no-vent fill in low-g. Cost goals quickly limited the search to two possibilities: a secondary payload on the Space Shuttle, or a small scale sounding rocket experiment. This paper will discuss the key issues of small scale experimentation and present a conceptual design of a sounding rocket experiment with liquid hydrogen for studying the fill process.

Chato, David J.↗
NASA NTRS1990

Finite element analysis and optimization of composite structures

Linearly elastic fiber reinforced composite discs and laminates in plane stress with variable local orientation and concentration of one or two fiber fields embedded in the matrix material, are considered. The thicknesses and the domain of the discs or laminates are assumed to be given, together with prescribed boundary conditions and in-plane loading along the edge. The problem under study consists in determining throughout the structural domain the optimum orientations and concentrations of the fiber fields in such a way as to maximize the integral stiffness of the composite disc or laminate under the seven loading. Minimization of the integral stiffness can also be performed. The optimization is performed subject to a prescribed bound on the total cost or weight of the composite that for given unit cost factors or specific weights determines the amounts of fiber and matrix materials in the structure. Examples are presented.

Thomsen, Jan↗
NASA NTRS1993

The value and potential of animal research in enabling astronaut health - Transition from Spacelab to Space Station Freedom

Maintaining astronaut health is a critical aspect of human space exploration. Three decades of space research have demonstrated that microgravity produces significant physiological changes in astronauts. For long-duration missions, the possibility exists that these changes may prevent the achievement of full health and safety and may therefore require countermeasures. Meeting this goal depends on a strong biomedical foundation. Although much research is conducted with humans, some of the most critical work involves a necessary in-depth look into complex problem areas requiring invasive procedures using animals. Much of this research cannot be performed in humans within the bounds of accepted medical practice. A large portion of knowledge and experience in flying animals and applying the data to astronaut health has been obtained through the Spacelab experience and can be applied to a space station situation (expanded to accommodate necessary standardization and flexibility). The objectives of this paper are to (a) discuss the value and potential of animal research in answering critical questions to enable astronaut health for advanced missions, (b) discuss how previous Spacelab operational experience in animal studies can be applied to facilitate transition into a space station era, and (c) review capabilities of biological facilities projected for Space Station Freedom.

Garshnek, V.↗
NASA NTRS2013

Planetary Protection Bioburden Analysis Program

This program is a Microsoft Access program that performed statistical analysis of the colony counts from assays performed on the Mars Science Laboratory (MSL) spacecraft to determine the bioburden density, 3-sigma biodensity, and the total bioburdens required for the MSL prelaunch reports. It also contains numerous tools that report the data in various ways to simplify the reports required. The program performs all the calculations directly in the MS Access program. Prior to this development, the data was exported to large Excel files that had to be cut and pasted to provide the desired results. The program contains a main menu and a number of submenus. Analyses can be performed by using either all the assays, or only the accountable assays that will be used in the final analysis. There are three options on the first menu: either calculate using (1) the old MER (Mars Exploration Rover) statistics, (2) the MSL statistics for all the assays, or This software implements penetration limit equations for common micrometeoroid and orbital debris (MMOD) shield configurations, windows, and thermal protection systems. Allowable MMOD risk is formulated in terms of the probability of penetration (PNP) of the spacecraft pressure hull. For calculating the risk, spacecraft geometry models, mission profiles, debris environment models, and penetration limit equations for installed shielding configurations are required. Risk assessment software such as NASA's BUMPERII is used to calculate mission PNP; however, they are unsuitable for use in shield design and preliminary analysis studies. The software defines a single equation for the design and performance evaluation of common MMOD shielding configurations, windows, and thermal protection systems, along with a description of their validity range and guidelines for their application. Recommendations are based on preliminary reviews of fundamental assumptions, and accuracy in predicting experimental impact test results. The software is programmed in Visual Basic for Applications for installation as a simple add-in for Microsoft Excel. The user is directed to a graphical user interface (GUI) that requires user inputs and provides solutions directly in Microsoft Excel workbooks. This work was done by Shannon Ryan of the USRA Lunar and Planetary Institute for Johnson Space Center. Further information is contained in a TSP (see page 1). MSC- 24582-1 Micrometeoroid and Orbital Debris (MMOD) Shield Ballistic Limit Analysis Program Lyndon B. Johnson Space Center, Houston, Texas Commercially, because it is so generic, Enigma can be used for almost any project that requires engineering visualization, model building, or animation. Models in Enigma can be exported to many other formats for use in other applications as well. Educationally, Enigma is being used to allow university students to visualize robotic algorithms in a simulation mode before using them with actual hardware. This work was done by David Shores and Sharon P. Goza of Johnson Space Center; Cheyenne McKeegan, Rick Easley, Janet Way, and Shonn Everett of MEI Technologies; Mark Manning of PTI; and Mark Guerra, Ray Kraesig, and William Leu of Tietronix Software, Inc. For further information, contact the JSC Innovation Partnerships Office at (281) 483-3809. MSC-24211-1 Spitzer Telemetry Processing System NASA's Jet Propulsion Laboratory, Pasadena, California The Spitzer Telemetry Processing System (SirtfTlmProc) was designed to address objectives of JPL's Multi-mission Image Processing Lab (MIPL) in processing spacecraft telemetry and distributing the resulting data to the science community. To minimize costs and maximize operability, the software design focused on automated error recovery, performance, and information management. The system processes telemetry from the Spitzer spacecraft and delivers Level 0 products to the Spitzer Science Center. SirtfTlmProc is a unique system with automated error notification and recovery, with a real-time continuous service that can go quiescent after periods of inactivity. The software can process 2 GB of telemetry and deliver Level 0 science products to the end user in four hours. It provides analysis tools so the operator can manage the system and troubleshoot problems. It automates telemetry processing in order to reduce staffing costs. This work was done by Alice Stanboli, Elmain M. Martinez, and James M. McAuley of Caltech for NASA's Jet Propulsion Laboratory. For more information, contact iaoffice @jpl.nasa.gov. This software is available for commercial licensing. Please contact Dan Broderick at Daniel.F. Broderick@jpl.nasa.gov. Refer to NPO-47803. NASA Tech Briefs, September 2013 29 This rapid response computer program predicts Orbiter Wing Leading Edge (WLE) damage caused by ice or foam impact during a Space Shuttle launch (Program "IMPACT2"). The program was developed after the Columbia accident in order to assess quickly WLE damage due to ice, foam, or metal impact (if any) during a Shuttle launch. IMPACT2 simulates an impact event in a few minutes for foam impactors, and in seconds for ice and metal impactors. The damage criterion is derived from results obtained from one sophisticated commercial program, which requires hours to carry out simulations of the same impact events. The program was designed to run much faster than the commercial program with prediction of projectile threshold velocities within 10 to 15% of commercial-program values. The mathematical model involves coupling of Orbiter wing normal modes of vibration to nonlinear or linear springmass models. IMPACT2 solves nonlinear or linear impact problems using classical normal modes of vibration of a target, and nonlinear/ linear time-domain equations for the projectile. Impact loads and stresses developed in the target are computed as functions of time. This model is novel because of its speed of execution. A typical model of foam, or other projectile characterized by material nonlinearities, impacting an RCC panel is executed in minutes instead of hours needed by the commercial programs. Target damage due to impact can be assessed quickly, provided that target vibration modes and allowable stress are known. This work was done by Robert Clark, Jr., Paul Cotter, and Constantine Michalopoulos of The Boeing Company for Johnson Space Center. For further information, contact the JSC Innovation Partnerships Office at (281) 483-3809. MSC-24988-1 Wing Leading Edge RCC Rapid Response Damage Prediction Tool (IMPACT2) Lyndon B. Johnson Space Center, Houston, Texas (3) the MSL statistics for only the accountable assays. Other options on the main menu include a data editing form and utility programs that produce various reports requested by the microbiologists and the project, and tools to generate the groupings for the final analyses. The analyses can be carried out in three ways: Each assay can be treated separately, the assays can be collectively treated for the whole zone as a group, or the assays can be collected in groups designated by the JPL Planetary Protection Manager. The latter approach was used to generate the final report because assays on the same equipment or similar equipment can be assumed to have been exposed to the same environment and cleaning. Thus, the statistics are improved by having a larger population, thereby reducing the standard deviation by the square root of N. For each method mentioned above, three reports are available. The first is a detailed report including all the data. This version was very useful in verifying the calculations. The second is a brief report that is similar to the full detailed report, but does not print out the data. The third is a grand total and summary report in which each assay requires only one line. For the first and second reports, most of the calculations are performed in the report section itself. For the third, all the calculations are performed directly in the query bound to the report. All the numerical results were verified by comparing them with Excel templates, then exporting the data from the Planetary Protection Analysis program to Excel.

Beaudet, Robert A.↗
NASA NTRS2014

Recent Ground Hold and Rapid Depressurization Testing of Multilayer Systems

In the development of flight insulation systems for large cryogenic orbital storage (spray on foam and multilayer insulation), testing need include all environments that are experienced during flight. While large efforts have been expended on studying, bounding, and modeling the orbital performance of the insulation systems, little effort has been expended on the ground hold and ascent phases of a mission. Historical cryogenic in-space systems that have flown have been able to ignore these phases of flight due to the insulation system being within a vacuum jacket. In the development phase of the Nuclear Mars Vehicle and the Shuttle Nuclear Vehicle, several insulation systems were evaluated for the full mission cycle. Since that time there had been minimal work on these phases of flight until the Constellation program began investigating cryogenic service modules and long duration upper stages. With the inception of the Cryogenic Propellant Storage and Transfer Technology Demonstration Mission, a specific need was seen for the data and as such, several tests were added to the Cryogenic Boil-off Reduction System liquid hydrogen test matrix to provide more data on a insulation system. Testing was attempted with both gaseous nitrogen (GN2) and gaseous helium (GHe) backfills. The initial tests with nitrogen backfill were not successfully completed due to nitrogen liquefaction and solidification preventing the rapid pumpdown of the vacuum chamber. Subsequent helium backfill tests were successful and showed minimal degradation. The results are compared to the historical data.

Space Environment Simulation↗
NASA NTRS2010

Wavefront Controls for a Large Submillimeter-Wave Observatory

The 25-m aperture Cornell Caltech Atacama Telescope (CCAT) will have a primary mirror that is divided into 162 individual segments, each of which is equipped with 3 positioning actuators. This paper presents a mathematical description of the telescope, its actuators and sensors, and uses it to derive control laws for figure maintenance. A Kalman Filter-based Optical State Estimator is used to continuously estimate the aberrations of the telescope; these are used in a state-feedback controller to maintain image quality. This approach provides the means to correct for the optical effects of errors that occur in unactuated degrees of freedom, such as lateral translations of the segments. The control laws are exercised in Monte Carlo and covariance analysis, to bound the closed-loop performance of the telescope and to conduct control design trades.

edge sensors↗
NASA NTRS2011

Power and Propulsion System Design for Near-Earth Object Robotic Exploration

Near-Earth Objects (NEOs) are exciting targets for exploration; they are relatively easy to reach but relatively little is known about them. With solar electric propulsion, a vast number of interesting NEOs can be reached within a few years and with extensive flexibility in launch date. An additional advantage of electric propulsion for these missions is that a spacecraft can be small, enabling a fleet of explorers launched on a single vehicle or as secondary payloads. Commercial, flight-proven Hall thruster systems have great appeal based on their performance and low cost risk, but one issue with these systems is that the power processing units (PPUs) are designed for regulated spacecraft power architectures which are not attractive for small NEO missions. In this study we consider the integrated design of power and propulsion systems that utilize the capabilities of existing PPUs in an unregulated power architecture. Models for solar array and engine performance are combined with low-thrust trajectory analyses to bound spacecraft design parameters for a large class of NEO missions, then detailed array performance models are used to examine the array output voltage and current over a bounded mission set. Operational relationships between the power and electric propulsion systems are discussed, and it is shown that both the SPT-100 and BPT-4000 PPUs can perform missions over a solar range of 0.7 AU to 1.5 AU - encompassing NEOs, Venus, and Mars - within their operable input voltage ranges. A number of design trades to control the array voltage are available, including cell string layout, array offpointing during mission operations, and power draw by the Hall thruster system.

Near Earth Object (NEO)↗
DOE OSTI2025

Mojo: MLIR-based Performance-Portable HPC Science Kernels on GPUs for the Python Ecosystem

We explore the performance and portability of the novel Mojo language for scientific computing workloads on GPUs. As the first language based on the LLVM’s Multi-Level Intermediate Representation (MLIR) compiler infrastructure, Mojo aims to close performance and productivity gaps by combining Python’s interoperability and CUDA-like syntax for compile-time portable GPU programming. We target four scientific workloads: a seven-point stencil (memory-bound), BabelStream (memory-bound), miniBUDE (compute-bound), and Hartree–Fock (compute-bound with atomic operations); and compare their performance against vendor baselines on NVIDIA H100 and AMD MI300A GPUs. We show that Mojo’s performance is competitive with CUDA and HIP for memory-bound kernels, whereas gaps exist on AMD GPUs for atomic operations and for fast-math compute-bound kernels on both AMD and NVIDIA GPUs. Although the learning curve and programming requirements are still fairly low-level, Mojo can close significant gaps in the fragmented Python ecosystem in the convergence of scientific computing and AI.

Godoy, William [ORNL] (ORCID:0000000225905178)↗
NASA NTRS1987

Order reduction in linear state estimation under performance constraints

The design and analysis of minimal-order state estimators for possibly time-varying linear systems, under constraints on the maximal allowable mean-square error, are considered. A global lower bound on the optimal error is derived, along with a lower bound on the minimal estimator order, needed for meeting the performance constraint. The ideal reduced-order estimator which satisfies the lower bound is derived, along with conditions for its realizability. When the ideal estimator is not realizable, its structure forms a suboptimal estimator, which maintains, in some sense, a local optimality property and is called the pseudoideal estimator. The mean-square error of the pseudoideal estimator defines upper bounds on the optimal error and on the estimator order needed for meeting the performance constraint. The lower and the upper bounds on the order define a reduced search set for the design problem. When the distance between the ideal and the pseudoideal estimators is sufficiently small in a certain numerical sense, the pseudoideal estimator may be considered optimal for practical purposes.

Baram, Yoram↗