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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 1,135 records · Page 63

All sources NASA NTRS DOE OSTI

NASA NTRS1988

Overview of heat transfer and fluid flow problem areas encountered in Stirling engine modeling

NASA Lewis Research Center has been managing Stirling engine development programs for over a decade. In addition to contractual programs, this work has included in-house engine testing and development of engine computer models. Attempts to validate Stirling engine computer models with test data have demonstrated that engine thermodynamic losses need better characterization. Various Stirling engine thermodynamic losses and efforts that are underway to characterize these losses are discussed.

Tew, Roy C., Jr.↗

DOE OSTI2020

A Preorganized Electric Field Leads to Minimal Geometrical Reorientation in the Catalytic Reaction of Ketosteroid Isomerase

Electrostatic interactions play a pivotal role in enzymatic catalysis and are increasingly modeled explicitly in computational enzyme design; nevertheless, they are challenging to measure experimentally. Using vibrational Stark effect (VSE) spectroscopy, we have measured electric fields inside the active site of the enzyme ketosteroid isomerase (KSI). These studies have shown that these fields can be unusually large, but it has been unclear to what extent they specifically stabilize the transition state (TS) relative to a ground state (GS). In the following, we use crystallography and computational modeling to show that KSI’s intrinsic electric field is nearly perfectly oriented to stabilize the geometry of its reaction’s TS. Moreover, we find that this electric field adjusts the orientation of its substrate in the ground state so that the substrate needs to only undergo minimal structural changes upon activation to its TS. This work provides evidence that the active site electric field in KSI is preorganized to facilitate catalysis and provides a template for how electrostatic preorganization can be measured in enzymatic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Grid-based minimization at scale: Feldman-Cousins corrections for light sterile neutrino search

High Energy Physics (HEP) experiments generally employ sophisticated statistical methods to present results in searches of new physics. In the problem of searching for sterile neutrinos, likelihood ratio tests are applied to short-baseline neutrino oscillation experiments to construct confidence intervals for the parameters of interest. The test statistics of the form Δχ2 is often used to form the confidence intervals, however, this approach can lead to statistical inaccuracies due to the small signal rate in the region-of-interest. In this paper, we present a computational model for the computationally expensive Feldman-Cousins corrections to construct a statistically accurate confidence interval for neutrino oscillation analysis. The program performs a grid-based minimization over oscillation parameters and is written in C++. Our algorithms make use of vectorization through Eigen3, yielding a single-core speed-up of 350 compared to the original implementation, and achieve MPI data parallelism by employing DIY. We demonstrate the strong scaling of the application at High-Performance Computing (HPC) sites. We utilize HDF5 along with HighFive to write the results of the calculation to file.

Wospakrik, Marianette↗

DOE OSTI2016

Enhanced limonene production in cyanobacteria reveals photosynthesis limitations

Terpenes are the major secondary metabolites produced by plants, and have diverse industrial applications as pharmaceuticals, fragrance, solvents, and biofuels. Cyanobacteria are equipped with efficient carbon fixation mechanism, and are ideal cell factories to produce various fuel and chemical products. Past efforts to produce terpenes in photosynthetic organisms have gained only limited success. Here we engineered the cyanobacterium Synechococcus elongatus PCC 7942 to efficiently produce limonene through modeling guided study. Computational modeling of limonene flux in response to photosynthetic output has revealed the downstream terpene synthase as a key metabolic flux-controlling node in the MEP (2- C -methyl-d-erythritol 4-phosphate) pathway-derived terpene biosynthesis. By enhancing the downstream limonene carbon sink, we achieved over 100-fold increase in limonene productivity, in contrast to the marginal increase achieved through stepwise metabolic engineering. The establishment of a strong limonene flux revealed potential synergy between photosynthate output and terpene biosynthesis, leading to enhanced carbon flux into the MEP pathway. Moreover, we show that enhanced limonene flux would lead to NADPH accumulation, and slow down photosynthesis electron flow. In conclusion, fine-tuning ATP/NADPH toward terpene biosynthesis could be a key parameter to adapt photosynthesis to support biofuel/bioproduct production in cyanobacteria.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

NeuroCoreX: Brain-Inspired Computing from Code to Circuit

NeuroCoreX is an open-source codebase that enables the implementation of brain-inspired, energy-efficient neuromorphic computing models on FPGA hardware. Designed to support real-time learning, all-to-all neural connectivity, and flexible network architectures, NeuroCoreX offers a hands-on, accessible platform for exploring biologically inspired models of neural computation. It empowers researchers, students, and developers to implement and experiment with adaptive systems—bringing the power of neuromorphic computing to a broader community through a low-cost, scalable, and reconfigurable framework.

Gautam, Ashish [Oak Ridge National Laboratory (ORN↗

DOE OSTI2024

A study of the Rayleigh-Taylor Instability during deceleration in inertial confinement fusion relevant conditions [Slides]

Large Planar targets with significant room for RTI evolution could have the potential to reach regimes where magnetic field damping of RTI is observable. Hot-electron generation at 1 PW/cm 2 and greater can introduced substantial preheat to experimental targets. Manufacturing defects can create further 3D complexity in targets designed and modeled in 2D. Computational models used in experimental designing do not always account for all the physics present and must be reevaluated based on experimental data. 3D modeling and provide high fidelity estimates on what the experimental data will look like, and can be utilized for high fidelity bench-marking or complex 3D experimental design work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Computational Thermodynamic Modeling of Hot Corrosion of Alloys Haynes 242 and Hastelloy TM N for Molten Salt Service in Advanced High Temperature Reactors

An evaluation of thermodynamic aspects of hot corrosion of the superalloys Haynes 242 and HastelloyTM N in the eutectic mixtures of KF and ZrF4 is carried out for development of Advanced High Temperature Reactor (AHTR). This work models the behavior of several superalloys, potential candidates for the AHTR, using computational thermodynamics tool (ThermoCalc), leading to the development of thermodynamic description of the molten salt eutectic mixtures, and on that basis, mechanistic prediction of hot corrosion. The results from these studies indicated that the principal mechanism of hot corrosion was associated with chromium leaching for all of the superalloys described above. However, HastelloyTM N displayed the best hot corrosion performance. This was not surprising given it was developed originally to withstand the harsh conditions of molten salt environment. However, the results obtained in this study provided confidence in the employed methods of computational thermodynamics and could be further used for future alloy design efforts. Finally, several potential solutions to mitigate hot corrosion were proposed for further exploration, including coating development and controlled scaling of intermediate compounds in the KF-ZrF4 system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1973

Use of 4-D atmospheric models in the simulation of radiometric measurements

Atmospheric moisture data contained in the Global 4-D Atmospheric Models developed in previous studies were analyzed to establish regional differences. The regional values of precipitable water along latitudinal belts were compared with values derived from the corresponding atmospheric models defined in the U.S Standard Atmosphere Supplement. The effects of the differences between the 4-D Models and the Standard Atmosphere Models on radiometric computations in the infrared window and water vapor absorption band regions were evaluated using a standard computation model of radiation transfer through a cloudless atmosphere. The significance of these differences in simulation is discussed.

Chang, D. T.↗

NASA NTRS1974

Observations and calculations of atmospheric helium 10830 emission

Observations and computer model calculations of helium excitation and transport were carried out. The following conclusions can be drawn: (1) the dawn helium density in the thermosphere is greater than the dusk helium density by 50 per cent or more, in contrast to the static diffusion models but in agreement with the dynamic models; (2) the computed He 10830 intensities are inconsistent with the observations when use of the new Penning ionization cross section for loss of atomic oxygen is used; (3) conjugate photoelectron precipitation is responsible for excitation of atmospheric helium at middle latitudes, but it is not evident in the observations at the equator or Brazil (L equals 1.1); (4) the computations predict greater conjugate effects than observed, leading to the possibility of strong interhemispheric absorption.

Christensen, A. B.↗

NASA NTRS1983

Finite element modeling and analysis of tires

Predicting the response of tires under various loading conditions using finite element technology is addressed. Some of the recent advances in finite element technology which have high potential for application to tire modeling problems are reviewed. The analysis and modeling needs for tires are identified. Reduction methods for large-scale nonlinear analysis, with particular emphasis on treatment of combined loads, displacement-dependent and nonconservative loadings; development of simple and efficient mixed finite element models for shell analysis, identification of equivalent mixed and purely displacement models, and determination of the advantages of using mixed models; and effective computational models for large-rotation nonlinear problems, based on a total Lagrangian description of the deformation are included.

Noor, A. K.↗

NASA NTRS1981

On the measurement of precipitation frequencies by passive microwave radiometery

Over most of the microwave spectrum, raindrops both absorb and scatter radiation producing large changes in brightness temperatures relative to clear or cloudy conditions. Since the structure of rain varies substantially for different rain rates and climatological backgrounds, the raindrop size distribution, the rain layer thickness and the ice clouds above the rain layer are all important inputs to the model computations. The subsequent modeling involves applying the Mie theory to derive the absorption and scattering effects and the radiative transfer calculation is based upon a variational iterative approach which takes account of the multiple scattering effect of the rain layer. Results over both ocean and land backgrounds are demonstrated. It is also demonstrated that by using discrimination tests of the radiometric data, the rain/no rain decision can be made and the rainfall rate can be retrieved from a statistical inversion technique.

Kidder, S. Q.↗

NASA NTRS1983

Galilean satellite geomorphology

Research on this task consisted of the development and initial application of photometric and photoclinometric models using interactive computer image processing and graphics. New programs were developed to compute viewing and illumination angles for every picture element in a Voyager image using C-matrices and final Voyager ephemerides. These values were then used to transform each pixel to an illumination-oriented coordinate system. An iterative integration routine permits slope displacements to be computed from brightness variations, and correlated in the cross-sun direction, resulting in two dimensional topographic data. Figure 1 shows a 'wire-mesh' view of an impact crater on Ganymede, shown with a 10-fold vertical exaggeration. The crater, about 20 km in diameter, has a central mound and raised interior floor suggestive of viscous relaxation and rebound of the crater's topography. In addition to photoclinometry, the computer models that have been developed permit an examination on non-topographically-derived variations in surface brightness.

Malin, M. C.↗

NASA NTRS1988

Ocean alkalinity and the Cretaceous/Tertiary boundary

A biogeochemical cycle model resolving ocean carbon and alkalinity content is applied to the Maestrichtian and Danian. The model computes oceanic concentrations and distributions of Ca(2+), Mg(2+), and Sigma-CO2. From these values an atmospheric pCO2 value is calculated, which is used to estimate rates of terrestrial weathering of calcite, dolomite, and calcium and magnesium silicates. Metamorphism of carbonate rocks and the subsequent outgassing of CO2 to the atmosphere are parameterized in terms of carbonate rock reservoir sizes, total land area, and a measure of overall tectonic activity, the sea-floor generation rate. The ocean carbon reservoir computed by the model is used with Deep Sea Drilling Project (DSDP) C-13 data to estimate organic detrital fluxes under a variety of ocean mixing rate assumptions. Using Redfield ratios, the biogenic detrital flux estimate is used to partition the ocean carbon and alkalinity reservoirs between the mixed layer and deep ocean. The calcite flux estimate and carbonate ion concentrations are used to determine the rate of biologically mediated CaCO3 titration. Oceanic productivity was severely limited for approximately 500 kyr following the K/T boundary resulting in significant increases in total ocean alkalinity. As productivity returned to the ocean, excess carbon and alkalinity was removed from the ocean as CaCO3. Model runs indicate that this resulted in a transient imbalance in the other direction. Ocean chemistry returned to near-equilibrium by about 64 mybp.

Caldeira, K. G.↗

NASA NTRS1990

Gamma Ray Observatory (GRO) dynamics simulator requirements and mathematical specifications, revision 1

The requirements and mathematical specifications for the Gamma Ray Observatory (GRO) Dynamics Simulator are presented. The complete simulator system, which consists of the profie subsystem, simulation control and input/output subsystem, truth model subsystem, onboard computer model subsystem, and postprocessor, is described. The simulator will be used to evaluate and test the attitude determination and control models to be used on board GRO under conditions that simulate the expected in-flight environment.

Harman, R.↗

NASA NTRS1991

Computers in aeronautics and space research at the Lewis Research Center

This brochure presents a general discussion of the role of computers in aerospace research at NASA's Lewis Research Center (LeRC). Four particular areas of computer applications are addressed: computer modeling and simulation, computer assisted engineering, data acquisition and analysis, and computer controlled testing.

Source record↗

NASA NTRS2006

Pre-engineering Spaceflight Validation of Environmental Models and the 2005 HZETRN Simulation Code

The HZETRN code has been identified by NASA for engineering design in the next phase of space exploration highlighting a return to the Moon in preparation for a Mars mission. In response, a new series of algorithms beginning with 2005 HZETRN, will be issued by correcting some prior limitations and improving control of propagated errors along with established code verification processes. Code validation processes will use new/improved low Earth orbit (LEO) environmental models with a recently improved International Space Station (ISS) shield model to validate computational models and procedures using measured data aboard ISS. These validated models will provide a basis for flight-testing the designs of future space vehicles and systems of the Constellation program in the LEO environment.

Nealy, John E.↗

NASA NTRS2009

Multi-Cone Model for Estimating GPS Ionospheric Delays

The multi-cone model is a computational model for estimating ionospheric delays of Global Positioning System (GPS) signals. It is a direct descendant of the conical-domain model. A primary motivation for the development of this model is the need to find alternatives for modeling slant delays at low latitudes, where ionospheric behavior poses an acute challenge for GPS signal-delay estimates based upon the thin-shell model of the ionosphere.

Sparks, Lawrence↗

NASA NTRS2019

Advances in Space Radiation Physics and Transport

The space radiation environment is a complex mixture of particle types and energies originating from sources inside and outside of the galaxy. These environments may be modified by the heliospheric and geomagnetic conditions as well as planetary bodies and vehicle or habitat mass shielding. In low Earth orbit (LEO), the geomagnetic field deflects a portion of the galactic cosmic rays (GCR) and all but the most intense solar particle events (SPE). There are also dynamic belts of trapped electrons and protons with low to medium energy and intense particle count rates. In deep space, the GCR exposure is more severe than in LEO and varies inversely with solar activity. Unpredictable solar storms also present an acute risk to astronauts if adequate shielding is not provided. Near planetary surfaces such as the Earth, moon or Mars, secondary particles are produced when the ambient deep space radiation environment interacts with these surfaces and/or atmospheres. These secondary particles further complicate the local radiation environment and modify the associated health risks. Characterizing the radiation fields in this vast array of scenarios and environments is a challenging task and is currently accomplished with a combination of computational models and dosimetry. The computational tools include models for the ambient space radiation environment, mass shielding geometry, and atomic and nuclear interaction parameters. These models are then coupled to a radiation transport code to describe the radiation field at the location of interest within a vehicle or habitat. Many new advances in these models have been made in the last decade, and the present review article focuses on the progress and contributions made by workers and collaborators at NASA in the same time frame. Although great progress has been made, and models continue to improve, significant gaps remain and are discussed in the context of planned future missions. Of particular interest is the juxtaposition of various review committee findings regarding the accuracy and gaps of combined space radiation environment, physics, and transport models with the progress achieved over the past decade. While current models are now fully capable of characterizing radiation environments in the broad range of forecasted mission scenarios, it should be remembered that uncertainties still remain and need to be addressed.

Space radiation↗