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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Description and Use of SCALE Sampler Parametric Capability for Engineering Analysis and Optimization

The Sampler sequence was introduced into the SCALE nuclear modeling and simulation suite in SCALE 6.2 to perform uncertainty quantification via random sampling of nuclear data, material number densities, and dimensions. Sampler was expanded with the introduction of a parametric capability in SCALE 6.2.2. This paper discusses input for the Sampler parametric sequence and presents two case studies of analyses performed using the sequence. These case studies include preconceptual design of a package for transporting high assay low-enriched uranium (HALEU) oxide and scoping calculations to support subcritical limit development for a future update of the ANSI/ANS-8.1 (ANS-8.1) standard. The parametric capability within Sampler provides many benefits to analysts. For instance, parametric sweeps are frequently used to identify optimum parameter values as part of safety analysis or system design, but such sweeps can require substantial engineering time or may rely on custom-written scripts or scripts such as Write One, Run Many (or WORM) developed outside of any software quality assurance program. With the parametric capabilities in Sampler, however, a large number of inputs can be generated automatically without recourse to scripting by individual analysts. The parametric capability can also be used in lieu of the CSAS5S search sequence to identify optimum parameters more simply with straightforward inputs and outputs. Sampler can also be used to calculate input parameters from engineering specifications. For example, diameters can be converted to radii, or masses can be used to calculate number densities. Overall, the Sampler parametric capability provides a robust feature within SCALE, eliminating the need for user-developed scripting.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1981

The Lewis Chemical Equilibrium Program with parametric study capability

The program was developed to determine chemical equilibrium in complex systems. Using a free energy minimization technique, the program permits calculations such as: chemical equilibrium for assigned thermodynamic states; theoretical rocket performance for both equilibrium and frozen compositions during expansion; incident and reflected shock properties; and Chapman-Jouget detonation properties. It is shown that the same program can handle solid coal in an entrained flow coal gasification problem.

Sevigny, R.↗
DOE OSTI2020

Crossing the Streams – Sampler and the TemplateEngine [Slides]

This presentation discusses Sampler, which is a versatile UQ and parametric study tool that can be applied to any SCALE Sequence. Sampler can perturb any quantity in any SCALE input. Recent work at ORNL has developed new types of covariance data that allow Sampler UQ to be applied to nearly all SCALE applications, including reactor depletion, UNF fuel characterization, source term analysis, and decay heat calculation. In SCALE 6.2 releases, CE data in transport cannot be perturbed. Sampler was originally designed for stochastic sampling with any sequence within SCALE and Parametric capability added in SCALE 6.2.2. Sampler can be used for uncertainty quantification, including sample data in static or depletion calculations and sample inputs for uncertainties in compositions and dimensions. The SCALE TemplateEngine allows for expanding templates to full inputs and the combination provides a powerful UQ tool.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Improved Treatment of 1–4 Interactions in Force Fields for Molecular Dynamics Simulations

Traditional force fields commonly use a combination of bonded torsional terms and empirically scaled nonbonded interactions to capture 1-4 energies and forces of atoms separated by three bonds in a molecule. While this approach can yield accurate torsional energy barriers, it often leads to inaccurate forces and erroneous geometries and creates an interdependence between dihedral terms and nonbonded interactions, complicating parametrization and reducing transferability. Here, in this paper, we demonstrate that 1-4 interactions can be accurately modeled using only bonded coupling terms, eliminating the need for arbitrarily scaled nonbonded interactions altogether. Furthermore, by leveraging the automated parametrization capabilities of the Q-Force toolkit, we efficiently determine the necessary coupling terms without the need for manual adjustment. Our approach is first validated on a range of small molecule systems, encompassing both flexible and rigid structures, and shows a significant improvement in force field accuracy, obtaining subkcal/mol mean absolute error for every molecule tested. We further extend the bonded-only model for 1-4 interactions to Amber ff14sb, CHARMM36, and OPLS-AA force fields to reproduce ab initio gas and implicit solvent ϕ,ψ surfaces of alanine dipeptide.

Abdullah, Aalim S. [University of California, Berk↗
NASA NTRS1985

The effect of engine design characteristics on orbital transfer vehicle performance

The objective in maximizing performance for a space-based Orbital Transfer Vehicle (OTV) is to minimize the propellant required to successfully complete a given reference mission and thereby reduce launch and storage costs. Engine sizing studies were conducted which examined the effect of engine design characteristics on the total propellant required to accomplish the manned and unmanned OTV missions anticipated for the 1995 to 2010 time period. Two propellant combinations, O2/H2 and N2O4/MMH, were selected as baselines. Exotic combinations such as F2/H2 and O2/CH4 were also studied to identify potential benefits and growth capabilities. Parametric results showing the effects of engine thrust, number of engines, nozzle area ratio and payload requirements are presented for various reference missions. The results indicate that the optimum engine size and thrust are not significantly affected by detailed engine design characteristics.

Schmidt, G. R.↗
NASA NTRS2005

Trailing Edge Blowing on a Two-Dimensional Six-Percent Thick Elliptical Circulation Control Airfoil Up to Transonic Conditions

A wind tunnel test was conducted in the NASA Langley Transonic Dynamics Tunnel (TDT) on a six percent thick slightly cambered elliptical circulation control airfoil with both upper and lower surface blowing capability. Parametric evaluations of jet slot heights and Coanda surface shapes were conducted at momentum coefficients (Cm) from 0.0 to 0.12. Test data were acquired at Mach numbers of 0.3, 0.5, 0.7, 0.8, and 0.84 at Reynolds numbers per foot of 2.43 x 105 to 1.05 x 106. For a transonic condition, (Mach = 0.8 at alpha = 3 degrees), it was generally found the smaller slot and larger Coanda surface combination was overall more effective than other slot/Coanda surface combinations. Lower surface blowing was not as effective as the upper surface blowing over the same range of momentum coefficients. No appreciable Coanda surface, slot height, or slot blowing position preference was indicated transonically with the dual slot blowing.

Alexander, Michael G.↗
NASA NTRS2018

Using an Automated Air Traffic Simulation Capability for a Parametric Study in Traffic Flow Management

Flight delays occur when demand for capacity-constrained airspace or airports exceeds predicted capacity. Demand for capacity-constrained airspace or airports can be controlled by a series of Traffic Management Initiatives (TMIs), which use departure and airborne delays, as well as pre-departure and airborne reroutes, to manage access to the constrained resources. Two systems exist in current and planned future operations to address imbalances between demand and capacity. The Collaborative Trajectory Options Program (CTOP) reduces demand to constrained resources by assigning strategic departure delay and pre-departure reroutes. Reroutes are selected from Trajectory Options Sets (TOSs) submitted by airlines. As flights approach the constrained resource, the Time-Based Flow Management System (TBFM) is used to assign tactical delay to satisfy constraints. This paper describes experiments performed to study the impact of varying levels of airline participation in CTOP via submission of TOSs on ground delay and flight time, and the impact of departure uncertainty on TBFM delays. Results suggest that as CTOP participation increases, average ground delays decrease for all airlines, but to the greatest extent for airlines participating in CTOP. A threshold in CTOP participation, which varies with the constraint capacity, is identified beyond which there is relatively little further reduction in average ground delays. Similarly, given the likely level of CTOP participation, the capacity reduction for which CTOP would be an appropriate TMI is also identified. Results also suggest that high average departure errors and high variability in departure error can make the prioritization of TBFM internal departures in TBFM metering and scheduling infeasible. Departure errors at current levels are, however, acceptable.

CTOP↗
NASA NTRS2018

Using an Automated Air Traffic Simulation Capability for a Parametric Study in Traffic Flow Management

Flight delays occur when demand for capacity-constrained airspace or airports exceeds predicted capacity. Demand for capacity-constrained airspace or airports can be controlled by a series of Traffic Management Initiatives (TMIs), which use departure and airborne delays, as well as pre-departure and airborne reroutes, to manage access to the constrained resources. Two systems exist in current and planned future operations to address imbalances between demand and capacity. The Collaborative Trajectory Options Program (CTOP) reduces demand to constrained resources by assigning strategic departure delay and pre-departure reroutes. Reroutes are selected from Trajectory Options Sets (TOSs) submitted by airlines. As flights approach the constrained resource, the Time-Based Flow Management System (TBFM) is used to assign tactical delay to satisfy constraints. This paper describes experiments performed to study the impact of varying levels of airline participation in CTOP via submission of TOSs on ground delay and flight time, and the impact of departure uncertainty on TBFM delays. Results suggest that as CTOP participation increases, average ground delays decrease for all airlines, but to the greatest extent for airlines participating in CTOP. A threshold in CTOP participation, which varies with the constraint capacity, is identified beyond which there is relatively little further reduction in average ground delays. Similarly, given the likely level of CTOP participation, the capacity reduction for which CTOP would be an appropriate TMI is also identified. Results also suggest that high average departure errors and high variability in departure error can make the prioritization of TBFM internal departures in TBFM metering and scheduling infeasible. Departure errors at current levels are, however, acceptable.

integrated demand management↗
NASA NTRS2008

Constellation Program Life-cycle Cost Analysis Model (LCAM)

The Constellation Program (CxP) is NASA's effort to replace the Space Shuttle, return humans to the moon, and prepare for a human mission to Mars. The major elements of the Constellation Lunar sortie design reference mission architecture are shown. Unlike the Apollo Program of the 1960's, affordability is a major concern of United States policy makers and NASA management. To measure Constellation affordability, a total ownership cost life-cycle parametric cost estimating capability is required. This capability is being developed by the Constellation Systems Engineering and Integration (SE&I) Directorate, and is called the Lifecycle Cost Analysis Model (LCAM). The requirements for LCAM are based on the need to have a parametric estimating capability in order to do top-level program analysis, evaluate design alternatives, and explore options for future systems. By estimating the total cost of ownership within the context of the planned Constellation budget, LCAM can provide Program and NASA management with the cost data necessary to identify the most affordable alternatives. LCAM is also a key component of the Integrated Program Model (IPM), an SE&I developed capability that combines parametric sizing tools with cost, schedule, and risk models to perform program analysis. LCAM is used in the generation of cost estimates for system level trades and analyses. It draws upon the legacy of previous architecture level cost models, such as the Exploration Systems Mission Directorate (ESMD) Architecture Cost Model (ARCOM) developed for Simulation Based Acquisition (SBA), and ATLAS. LCAM is used to support requirements and design trade studies by calculating changes in cost relative to a baseline option cost. Estimated costs are generally low fidelity to accommodate available input data and available cost estimating relationships (CERs). LCAM is capable of interfacing with the Integrated Program Model to provide the cost estimating capability for that suite of tools.

Prince, Andy↗
NASA NTRS1993

Shape optimization for aerodynamic efficiency and low observability

Field methods based on the finite-difference approximations of the time-domain Maxwell's equations and the potential-flow equation have been developed to solve the multidisciplinary problem of airfoil shaping for aerodynamic efficiency and low radar cross section (RCS). A parametric study and an optimization study employing the two analysis methods are presented to illustrate their combined capabilities. The parametric study shows that for frontal radar illumination, the RCS of an airfoil is independent of the chordwise location of maximum thickness but depends strongly on the maximum thickness, leading-edge radius, and leadingedge shape. In addition, this study shows that the RCS of an airfoil can be reduced without significant effects on its transonic aerodynamic efficiency by reducing the leading-edge radius and/or modifying the shape of the leading edge. The optimization study involves the minimization of wave drag for a non-lifting, symmetrical airfoil with constraints on the airfoil maximum thickness and monostatic RCS. This optimization study shows that the two analysis methods can be used effectively to design aerodynamically efficient airfoils with certain desired RCS characteristics.

Vinh, Hoang↗
NASA NTRS2004

Multidimensional Unstructured-Grid Liquid Rocket Engine Nozzle Performance and Heat Transfer Analysis

The objectives of this study are to conduct a unified computational analysis for computing the design parameters such as axial thrust, convective and radiative wall heat fluxes for liquid rocket engine nozzles, so as to develop a computational strategy for computing those design parameters through parametric investigations. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, radiating, unstructured-grid, and pressure-based formulation, with grid refinement capabilities. Systematic parametric studies on effects of wail boundary conditions, combustion chemistry, radiation coupling, computational cell shape, and grid refinement were performed and assessed. Comparisons of the computed axial thrust performance, flow features, and wail heat fluxes with those of available test data and design calculations are presented.

Wang, Ten-See↗
NASA NTRS2004

Multidimensional Unstructured-Grid Liquid Rocket Engine Nozzle Performance and Heat Transfer Analysis

The objective of this study is to conduct a unified computational analysis for computing design parameters such as axial thrust, convective and radiative wall heat fluxes for regeneratively cooled liquid rocket engine nozzles, so as to develop a computational strategy for computing those parameters through parametric investigations. The computational methodology is based on a multidimensional, finite-volume, turbulent, chemically reacting, radiating, unstructured-grid, and pressure-based formulation, with grid refinement capabilities. Systematic parametric studies on effects of wall boundary conditions, combustion chemistry, radiation coupling, computational cell shape, and grid refinement were performed and assessed. Under the computational framework of this study, it is found that the computed axial thrust performance, flow features, and wall heat fluxes compared well with those of available data and calculations, using a strategy of structured-grid dominated mesh, finite-rate chemistry, and cooled wall boundary condition.

Wang, Ten-See↗
NASA NTRSDate not supplied

Recent Updates to the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1

The Object Reentry Survival Analysis Tool (ORSAT) code is maintained and used by the NASA Orbital Debris Program Office (ODPO) and has been under continuous development and improvement since the mid-1990s. ORSAT is an object-oriented reentry simulation tool; it models a satellite as a collection of discrete components that follow independent trajectories upon the breakup of the parent object. Version 7.1 of the tool incorporates five years of new thermal and aerodynamic model development, multi-processor parametric study capability, codebase upgrades, and numerous bug-fixes. The thermal demise model was completely rewritten using a forward-time/central-space numerical stencil and incorporating a new pyrolysis model for fiber-reinforced plastic (FRP) materials. New aerodynamic and aeroheating models for hollow cylinders and hollow square prisms were developed using a combination of flow simulations in the direct simulation Monte Carlo (DSMC) Analysis Code (DAC) and Data Parallel Line Relaxation (DPLR) code and free-flight tests in the University of Texas at San Antonio’s Hypersonic Wind Tunnel. The latest version also incorporates a mechanical, strength-based demise model for FRP materials. Minor improvements include an update to the Fortran 2018 codebase; improved integration and speed with the Python-based, multi-core, parametric study tool, AutoORSAT; and fixes for many minor bugs. This new version of ORSAT will enable more accurate reentry risk assessments for modern satellites. This paper presents an overview of these changes and a summary of the verification and validation performed on the final code.

Benton R. Greene↗
NASA NTRSDate not supplied

Recent Updates to the Object Reentry Survival Analysis Tool (ORSAT) Version 7.1

The Object Reentry Survival Analysis Tool (ORSAT) code is maintained and used by the NASA Orbital Debris Program Office (ODPO) and has been under continuous development and improvement since the mid-1990s. ORSAT is an object-oriented reentry simulation tool; it models a satellite as a collection of discrete components that follow independent trajectories upon the breakup of the parent object. Version 7.1 of the tool incorporates five years of new thermal and aerodynamic model development, multi-processor parametric study capability, codebase upgrades, and numerous bug-fixes. The thermal demise model was completely rewritten using a forward-time/central-space numerical stencil and incorporating a new pyrolysis model for fiber-reinforced plastic (FRP) materials. New aerodynamic and aeroheating models for hollow cylinders and hollow square prisms were developed using a combination of flow simulations in the direct simulation Monte Carlo (DSMC) Analysis Code (DAC) and Data Parallel Line Relaxation (DPLR) code and free-flight tests in the University of Texas at San Antonio’s Hypersonic Wind Tunnel. The latest version also incorporates a mechanical, strength-based demise model for FRP materials. Minor improvements include an update to the Fortran 2018 codebase; improved integration and speed with the Python-based, multi-core, parametric study tool, AutoORSAT; and fixes for many minor bugs. This new version of ORSAT will enable more accurate reentry risk assessments for modern satellites. This paper presents an overview of these changes and a summary of the verification and validation performed on the final code.

Benton R. Greene↗
DOE OSTI2025

Optimal observables for the chiral magnetic effect from machine learning

The detection of the chiral magnetic effect (CME) in relativistic heavy-ion collisions remains challenging due to substantial background contributions that obscure the expected signal. In this Letter, we present a novel machine learning approach for constructing optimized observables that significantly enhance CME detection capabilities. By parametrizing generic observables constructed from flow harmonics and optimizing them to maximize the signal-to-background ratio, we systematically develop CME-sensitive measures that outperform conventional methods. Using simulated data from the anomalous viscous fluid dynamics framework, our machine learning observables demonstrate up to 90% higher sensitivity to CME signals compared to traditional 𝛾 and 𝛿 correlators, while maintaining minimal background contamination. The constructed observables provide physical insight into optimal CME detection strategies and offer a promising path forward for experimental searches of the CME at the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

CrossLink: General Overview [Slides]

Problem: Traditional mesh generation approaches are labor intensive and have limited robustness when applied to parametric design exploration and optimization of complex geometries. While automatic mesh generation approaches exist, they tend to generate tetrahedral or mixed-hybrid meshes which are generally unsuitable for physics applications with strong shock waves, thin boundary layers, and strong gradients. In addition, simulations sizes in the billions of cells are becoming more common with traditional mesh generation methods quickly reaching scalability limits. Solution: CrossLink offers a topology-based mesh generation approach with unstructured block-filling methods and a scalable mesh generation engine. In addition, CrossLink incorporates a python-based API for seamless workflow integration and robust repeatability of the geometry handling and mesh generation process. This makes it ideal for parametric design study and optimization of complex geometries. Finally, future versions of CrossLink will offer a parametric mesh capability that optimizes a high-order mesh and enables reconstruction of the final mesh in memory by the physics solver.

97 MATHEMATICS AND COMPUTING↗