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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

On-lattice kinetic Monte Carlo approaches for modeling molecular anisotropy in resveratrol crystallization

Stilbenes are a class of organic compounds with broad-ranging pharmaceutical and agricultural applications, which are typically isolated and purified through recrystallization. We are motivated by reducing experimental waste and optimizing yield via developing predictive simulations for processing-dependent crystal morphologies. Using resveratrol as a model stilbene system, we have developed an approach for simulating crystallization with molecular resolution using on-lattice kinetic Monte Carlo. In this work, we highlight modifications to the Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) software package, which were essential to this application. Key enhancements include the incorporation of non-orthogonal cell shapes and monomer anisotropy approximations using bound hard spheres. This new SPPARKS application has been applied to resveratrol with attachment energy libraries obtained from density functional theory, resulting in excellent agreement with experimental morphology prediction.

crystallization↗
DOE OSTI2020

JETSCAPE framework: p+p results

The JETSCAPE framework is a modular and versatile Monte Carlo software package for the simulation of high energy nuclear collisions. In this work we present a new tune of JETSCAPE, called PP19, and validate it by comparison to jet-based measurements in p + p collisions, including inclusive single jet cross sections, jet shape observables, fragmentation functions, charged hadron cross sections, and dijet mass cross sections. These observables in p+p collisions provide the baseline for their counterparts in nuclear collisions. Quantifying the level of agreement of JETSCAPE results with p+p data is thus necessary for meaningful applications of JETSCAPE to A+A collisions. The calculations use the JETSCAPE PP19 tune, defined in this paper, based on version 1.0 of the JETSCAPE framework. For the observables discussed in this work calculations using JETSCAPE PP19 agree with data over a wide range of collision energies at a level comparable to standard Monte Carlo codes. These results demonstrate the physics capabilities of the JETSCAPE framework and provide benchmarks for JETSCAPE users.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Advancing set-conditional set generation: Diffusion models for fast simulation of reconstructed particles

The computational intensity of detector simulation and event reconstruction poses a significant difficulty for data analysis in collider experiments. This challenge inspires the continued development of machine learning techniques to serve as efficient surrogate models. We propose a fast emulation approach that combines simulation and reconstruction. In other words, a neural network generates a set of reconstructed objects conditioned on input particle sets. To make this possible, we advance set-conditional set generation with diffusion models. Using a realistic, generic, and public detector simulation and reconstruction package (COCOA), we show how diffusion models can accurately model the complex spectrum of reconstructed particles inside jets.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Water Network Tool for Resilience (WNTR)

The Water Network Tool for Resilience (WNTR) is an open source Python package designed to simulate and analyze resilience of water distribution networks. The United States Environmental Protection Agency, in partnership with Sandia National Laboratories, developed WNTR to integrate critical aspects of resilience modeling for water distribution networks into a single software framework. The software includes capability to: • Generate water network models • Modify network structure and operations • Assign fragility and survival curves to network components • Model disruptive events such as power outages, earthquakes, fires, pipe breaks, and contamination incidents • Model response and repair strategies • Simulate hydraulics and water quality • Evaluate resilience using a wide range of metrics • Integrate dependency with other critical infrastructure and supply chains • Analyze results and generate graphics SAND2019-450 M

Villa, Daniel↗
DOE OSTI2021

The Power and Energy Storage Systems Toolbox -- PSTess v.1.0

The Power and Energy Storage Systems Toolbox (PSTess) is a MATLAB-based computing package for dynamic simulation and analysis of utility-scale battery storage systems. This codebase is a fork of the Power Systems Toolbox Version 3.0, developed at Rensselaer Polytechnic Institute (RPI) and Cherry Tree Scientific Software. While PSTess shares a common lineage with PST, it is a substantially different application. As the name implies, the main distinguishing characteristic of PSTess is its ability to model inverter-based energy storage systems (ESS). The model that enables this is called ess.m, and it serves the dual role of representing ESS operational constraints and the generator/converter interface. With PSTess, the generator/converter interface is modeled as a controllable current source with the ability to modulate both active and reactive current. The model ess.m permits four-quadrant modulation, which allows it to represent a wide variety of inverter-based resources beyond energy storage when paired with an appropriate supplemental control model. Examples include utility-scale photovoltaic (PV) power plants, type 4 wind plants, and static synchronous compensators (STATCOM). This capability is especially useful for modeling hybrid plants that combine energy storage with renewable resources. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-8322 O

Elliott, RyanT.↗
DOE OSTI2024

Control Algorithms for Multi-Wavefront Sensor Adaptive Optics for Astronomical Exoplanet Imaging

This package consists of simulations of control algorithms being proposed for upcoming adaptive optics projects for exoplanet direct imaging, in which one wavefront affector (deformable mirror) is controlled by two wavefront sensors. Simulations include time-domain behavior under various assumed conditions, parameter optimization routines for the controllers, and stability analysis.

Sengupta, Aditya↗
DOE OSTI2022

PyPVRPM: Photovoltaic Reliability and Performance Model in Python

The ability to perform accurate techno-economic analysis of solar photovoltaic (PV) systems is essential for bankability and investment purposes. Most energy yield models assume an almost flawless operation (i.e., no failures); however, realistically, components fail and get repaired stochastically. This package, PyPVRPM, is a Python translation and improvement of the Language Kit (LK) based PhotoVoltaic Reliability Performance Model (PVRPM), which was first developed at Sandia National Laboratories in Goldsim software (Granata et al., 2011) (Miller et al., 2012). PyPVRPM allows the user to define a PV system at a specific location and incorporate failure, repair, and detection rates and distributions to calculate energy yield and other financial metrics such as the levelized cost of energy and net present value (Klise, Lavrova, et al., 2017). Our package is a simulation tool that uses NREL’s Python interface for System Advisor Model (SAM) (National Renewable Energy Laboratory, 2020b) (National Renewable Energy Laboratory, 2020a) to evaluate the performance of a PV plant throughout its lifetime by considering component reliability metrics. Besides the numerous benefits from migrating to Python (e.g., speed, libraries, batch analyses), it also expands on the failure and repair processes from the LK version by including the ability to vary monitoring strategies. These failures, repairs, and monitoring processes are based on user-defined distributions and values, enabling a more accurate and realistic representation of cost and availability throughout a PV system’s lifetime.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Demonstrate Capability of NEAMS Tools to Generate Reactor Kinetics Parameters for Pebble-Bed HTGRs Transient Modeling

The system analysis of anticipated operating occurrences and design basis accident for pebblebed reactor systems requires knowledge of the neutron kinetic parameters. These parameters take into account various types of feedback from the pebble-bed core and are typically integrated into system analysis tools such as the System Analysis Module (SAM) in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tool package. These parameters are typically generated by a higher fidelity full-core coupled neutronics/thermal fluids analysis, such as using Griffin and Pronghorn, in 2D or 3D. The delayed neutron fractions (beta) and the neutron lifetimes (lambda) are typically generated by applying the adjoint solution of the neutron flux. Temperature reactivity coefficients are the most important feedback for all anticipated operating occurrences and design basis accident, then depending on the transient other effects might be important as rector control system worth, s-curves, and Xenon generation. This work package will establish a methodology and process for calculating the reactor kinetics parameters for high-temperature gas-cooled reactor and provide them in a suitable form for system level analyses of typical anticipated operating occurrences and design basis accident.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1985

Estimation of finite mixtures using the empirical characteristic function

A problem which occurs in analyzing LANDSAT scenes is the problem of separating the components of a finite mixture of several distinct probability distributions. A review of the literature indicates this is a problem which occurs in many disciplines, such as engineering, biology, physiology and economics. Many approaches to this problem have appeared in the literature; however, most are very restrictive in their assumptions or have met with only a limited degree of success when applied to realistic situations. A proceudre is investigated with combines the k-L procedure of (Feurverger and McDunnough, 1981) with the MAICE procedure of (Akaike, 1974). The feasibility of this approach is being investigated numerically via the development of a computer software package enabling a simulation study and comparison with other procedures.

Anderson, C.↗
NASA NTRS1986

Evaluation of total energy-rate feedback for glidescope tracking in wind shear

Low-altitude wind shear is recognized as an infrequent but significant hazard to all aircraft during take-off and landing. A total energy-rate sensor, which is potentially applicable to this problem, has been developed for measuring specific total energy-rate of an airplane with respect to the air mass. This paper presents control system designs, with and without energy-rate feedback, for the approach to landing of a transport airplane through severe wind shear and gusts to evaluate application of this sensor. A system model is developed which incorporates wind shear dynamics equations with the airplance equations of motion, thus allowing the control systems to be analyzed under various wind shears. The control systems are designed using optimal output feedback and are analyzed using frequency domain control theory techniques. Control system performance is evaluated using a complete nonlinear simulation of the airplane and a severe wind shear and gust data package. The analysis and simulation results indicate very similar stability and performance characteristics for the two designs. An implementation technique for distributing the velocity gains between airspeed and ground speed in the simulation is also presented, and this technique is shown to improve the performance characteristics of both designs.

Belcastro, C. M.↗
NASA NTRS1991

Numerical methods for the analysis of sampled-data systems and for the computation of system zeros

MARSYAS is a computer aided control system design package for the simulation and analysis of open loop and closed loop dynamic systems. Outlined here is the numerical and theoretical basis of the MARSYAS functions developed during the summer of 1991. In particular, the numerical computation of the matrix exponential e(exp A) = I + A + A(exp 2)/2! + A(exp 3)/3! + ... and the numerical computation of the finite system zeros of a dynamic system (continuous time or discrete time) are presented.

Hodel, A. Scottedward↗
NASA NTRS1992

Numerical methods for the analysis of sampled-data systems and for the computation of system zeros

MARSYAS is a computer-aided control system design package for the simulation and analysis of dynamic systems. In the summer of 1991 MARSYAS was updated to allow for the analysis of sampled-data systems in terms of frequency response, stability, etc. This update was continued during the summer of 1992 in order to extend further MARSYAS commands to the study of sampled-data systems. Further work was done to examine the computation of OPENAT transfer functions, root-locii and w-plane frequency response plots.

Hodel, A. Scottedward↗
NASA NTRS1991

Microgravity flight testing of a laboratory robot

A review is given of the conditions and preparations for studying the performance of a robotic laboratory manipulator under microgravity conditions and by means of dynamic simulations. The robotic arm is fitted with accelerometers, incorporated into a materials-transfer workcell, and flown on a microgravity simulator. A software package based on the Lagrangian form of the equations of motion is used for dynamic analysis and control-systems development of the arm.

Hinman, Elaine M.↗
NASA NTRS1998

Non-Gimbaled Antenna Pointing: Summary of Results and Analysis

There is considerable interest at this time in developing small satellites for quick-turnaround missions to investigate near-earth phenomena from space. One problem to be solved in mission planning is the means of communication between the control infrastructure in the ground segment and the satellite in the space segment. A nominal small-satellite mission design often includes an omni-directional or similar wide-pattern antenna on the satellite and a dedicated ground station for telemetry, tracking, and command support. These terminals typically provide up to 15 minutes of coverage during an orbit that is within the visibility of the ground station; however, not all orbits will pass over the ground station so that coverage gaps will exist in the data flow. To overcome this general limitation on data transmission for low-earth orbiting satellites, the Space Network (SN), operated by the National Aeronautics and Space Administration, (NASA) has been designed to transmit data to and from user satellites through the Tracking and Data Relay Satellites (TDRS) in geostationary orbit and interfacing to the White Sands Complex (WSC) in New Mexico for the data's ground entry point. The advantage of the SN over a fixed ground station is that all low-earth-satellite orbits will be within the visibility area of at least one TDRS within the SN for a large part of the orbit and the potential exists to establish a communications link if the user satellite can point an antenna in the direction of any one of the relay satellites. Within NASA, there is considerable interest in seeing that small satellite developers are aware of the advantages to the SN and that designs to include the SN are part of the satellite design. Small satellite users have not often considered using the SN because of: (1) The 26-dB link penalty differential between direct broadcast to a ground station and transmission through a TDRS to the ground; (2) The class of satellite is too small to support high-gain antennas and associated attitude control and drive electronics; (3) The class of satellites is severely weight and power limited; (4) There are perceived problems in scheduling communications for this class of user on the SN. This report addresses the potential for SN access using non-gimbaled, i.e. fixed-pointed, antennas in the design of the small satellite using modest transmission power to achieve the necessary space-to-ground transmissions. The advantage of using the SN is in the reduction of mission costs arising from using the SN infrastructure instead of a dedicated, proprietary ground station using a similar type of communications package. From the simulations and analysis presented, we will show that a modest satellite configuration can be used with the space network to achieve the data transmission goals of a number of users and thereby rival the performance achieved with proprietary ground stations. In this study, we will concentrate on the return data link (from the user satellite through a TDRS to the ground data entry point). The forward command link (from the ground data entry point through a TDRS to the user satellite) will usually be a lower data rate service and the data volume will also be considerably lower than the return link's requirement. Therefore, we assume that if the return link requirements are satisfied, then the forward link requirements can also be satisfied.

Horan, Stephen↗
NASA NTRS2003

Deployment Simulation Methods for Ultra-Lightweight Inflatable Structures

Two dynamic inflation simulation methods are employed for modeling the deployment of folded thin-membrane tubes. The simulations are necessary because ground tests include gravity effects and may poorly represent deployment in space. The two simulation methods are referred to as the Control Volume (CV) method and the Arbitrary Lagrangian Eulerian (ALE) method. They are available in the LS-DYNA nonlinear dynamic finite element code. Both methods are suitable for modeling the interactions between the inflation gas and the thin-membrane tube structures. The CV method only considers the pressure induced by the inflation gas in the simulation, while the ALE method models the actual flow of the inflation gas. Thus, the transient fluid properties at any location within the tube can be predicted by the ALE method. Deployment simulations of three packaged tube models; namely coiled, Z-folded, and telescopically-folded configurations, are performed. Results predicted by both methods for the telescopically-folded configuration are correlated and computational efficiency issues are discussed.

Wang, John T.↗
NASA NTRS2002

Towards Improved MODIS Aerosol Retrieval over the US East Coast Region: Re-examining the Aerosol Model and Surface Assumptions

The MODerate resolution Imaging Spectrometer (MODIS) aboard the Terra and recently the Aqua platform, produces a set of aerosol products over both ocean and land regions. Previous validation efforts have shown that from a global perspective, aerosol optical depth (AOD) is successfully retrieved from MODIS. Even over coastal regions, the over- land and over-ocean retrievals are consistent with each other, and well matched with ground-based sunphotometer measurements (such as AERONET). However, the East Coast of the United States is one region where there is consistently a discrepancy between land and ocean retrievals. Over the ocean, MODIS AODs are consistent with coastal sunphotometer measurements, but over land, AODs are consistently over- estimated. In this study we use field data from the Chesapeake Lighthouse and Aircraft Measurements for Satellites experiment (CLAMS), (held during summer 2001) to determine the aerosol properties at a number of sites. Using the 6-S radiative transfer package, we compute simulated satellite radiances and compare them with observed MODIS radiances. We believe that the AOD over-estimation is not likely due to an incorrect choice of the urban/industrial aerosol models. Using 6-S to do an atmospheric correction for a very low AOD case, we show rather, that the discrepancies are likely a result of incorrect assumptions about the surface reflectance properties. Understanding and improving MODIS retrievals over the East Coast will not only improve the global quality of MODIS, but also would enable the use of MODIS as a tool for monitoring regional aerosol events.

Levy, R. C.↗
NASA NTRS2004

Development of a Solid-Oxide Fuel Cell/Gas Turbine Hybrid System Model for Aerospace Applications

Recent interest in fuel cell-gas turbine hybrid applications for the aerospace industry has led to the need for accurate computer simulation models to aid in system design and performance evaluation. To meet this requirement, solid oxide fuel cell (SOFC) and fuel processor models have been developed and incorporated into the Numerical Propulsion Systems Simulation (NPSS) software package. The SOFC and reformer models solve systems of equations governing steady-state performance using common theoretical and semi-empirical terms. An example hybrid configuration is presented that demonstrates the new capability as well as the interaction with pre-existing gas turbine and heat exchanger models. Finally, a comparison of calculated SOFC performance with experimental data is presented to demonstrate model validity. Keywords: Solid Oxide Fuel Cell, Reformer, System Model, Aerospace, Hybrid System, NPSS

Freeh, Joshua E.↗
NASA NTRS1999

A Passive Earth-Entry Capsule for Mars Sample Return

A combination of aerodynamic analysis and testing, aerothermodynamic analysis, structural analysis and testing, impact analysis and testing, thermal analysis, ground characterization tests, configuration packaging, and trajectory simulation are employed to determine the feasibility of an entirely passive Earth entry capsule for the Mars Sample Return mission. The design circumvents the potential failure modes of a parachute terminal descent system by replacing that system with passive energy absorbing material to cushion the Mars samples during ground impact. The suggested design utilizes a spherically blunted 45-degree half-angle cone forebody with an ablative heat shield. The primary structure is a hemispherical, composite sandwich enclosing carbon foam energy absorbing material. Though no demonstration test of the entire system is included, results of the tests and analysis presented indicate that the design is a viable option for the Mars Sample Return Mission.

Mitcheltree, Robert A.↗