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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 379 records · Page 21

Towards Z-Next: The Integration of Theory, Experiments, and Computational Simulation in a Bayesian Data Assimilation Framework

Making reliable predictions in the presence of uncertainty is critical to high-consequence modeling and simulation activities, such as those encountered at Sandia National Laboratories. Surrogate or reduced-order models are often used to mitigate the expense of performing quality uncertainty analyses with high-fidelity, physics-based codes. However, phenomenological surrogate models do not always adhere to important physics and system properties. This project develops surrogate models that integrate physical theory with experimental data through a maximally-informative framework that accounts for the many uncertainties present in computational modeling problems. Correlations between relevant outputs are preserved through the use of multi-output or co-predictive surrogate models; known physical properties (specifically monotoncity) are also preserved; and unknown physics and phenomena are detected using a causal analysis. By endowing surrogate models with key properties of the physical system being studied, their predictive power is arguably enhanced, allowing for reliable simulations and analyses at a reduced computational cost.

97 MATHEMATICS AND COMPUTING↗

Evaluation of SHABERTH: A bearing simulation computer program

To investigate lubrication effects on bearing thermal performance, an investigation was performed to determine the feasibility of using the SKF program SHABERTH for simulating the performance of cryogenically lubricated ball bearings. As a part of this study, the particular application chosen for SHABERTH was to simulate the performance of the Space Shuttle main engine turbo-pump and pre-burner bearing system.

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Space Station Simulation Computer System (SCS) study for NASA/MSFC. Concept document

NASA's Space Station Freedom Program (SSFP) planning efforts have identified a need for a payload training simulator system to serve as both a training facility and as a demonstrator to validate operational concepts. The envisioned MSFC Payload Training Complex (PTC) required to meet this need will train the Space Station Payload of experiments that will be onboard the Space Station Freedom. The simulation will support the Payload Training Complex at MSFC. The purpose of this SCS Study is to investigate issues related to the SCS, alternative requirements, simulator approaches, and state-of-the-art technologies to develop candidate concepts and designs.

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Utility of Emulation and Simulation Computer Modeling of Space Station Environmental Control and Life Support Systems

Over the years, computer modeling has been used extensively in many disciplines to solve engineering problems. A set of computer program tools is proposed to assist the engineer in the various phases of the Space Station program from technology selection through flight operations. The development and application of emulation and simulation transient performance modeling tools for life support systems are examined. The results of the development and the demonstration of the utility of three computer models are presented. The first model is a detailed computer model (emulation) of a solid amine water desorbed (SAWD) CO2 removal subsystem combined with much less detailed models (simulations) of a cabin, crew, and heat exchangers. This model was used in parallel with the hardware design and test of this CO2 removal subsystem. The second model is a simulation of an air revitalization system combined with a wastewater processing system to demonstrate the capabilities to study subsystem integration. The third model is that of a Space Station total air revitalization system. The station configuration consists of a habitat module, a lab module, two crews, and four connecting nodes.

Yanosy, James L.↗

High-Fidelity and High-Performance Computational Simulations for Rapid Design Optimization of Sulfur Thermal Energy Storage (CRADA Report)

NREL and Element 16 collaborated on sulfur thermal energy storage modeling using NREL’s high performance computing (HPC) resources to assist its application in industrial processes. Industrial process heat (IPH) accounts for ~70% of US manufacturing energy use and is primarily produced by fossil fuel combustion. Approximately, 1500 TWht (~60% Terawatt hour thermal) of IPH demand is in the temperature range of 100-300°C. Industrial applications in this temperature range include drying, hydrothermal processing, thermal enhanced oil recovery, food and beverage, bioethanol production, etc. Cost-effective thermal energy storage (TES) that increases the utilization of waste and renewable heat (solar, geothermal, etc.) could provide significant energy savings and reliable heat sources, decrease emissions, and increase US manufacturing competitiveness through reductions in fuel consumption. This HPC4EI project facilitated Element 16’s development of low-cost and high-impact molten sulfur TES for dispatchable IPH. The development of a high-fidelity model validated by experimental data and HPC simulations enabled the successful resolution of the complex interplay between fluid dynamics and heat transfer processes during transient operation of sulfur TES, overcoming the numerical challenges posed by the non-linear temperature-dependent physical properties of sulfur. The project helped accelerate Element 16’s molten sulfur TES product design and support its broad applications.

25 ENERGY STORAGE↗

A computer simulation of Skylab dynamics and attitude control for performance verification and operational support

A simulation of the Skylab attitude and pointing control system (APCS) is outlined and discussed. Implementation is via a large hybrid computer and includes those factors affecting system momentum management, propellant consumption, and overall vehicle performance. The important features of the flight system are discussed; the mathematical models necessary for this treatment are outlined; and the decisions involved in implementation are discussed. A brief summary of the goals and capabilities of this tool is also included.

Buchanan, H.↗

Computer Simulation For Multilevel Optimization Of Design

New simulator for multilevel optimization of complex hierarchical systems reduces cost of analysis in experimentation with multilevel design-optimization algorithms. Computer program mimics qualitative behavior and data couplings that occur among subsystems of complex engineering system, such as car, aircraft, or building. Eliminates engineering analyses in subsystems by replacing them with judiciously-chosen analytical functions. Serves as tool for development of strategy for multilevel optimization of design.

Padula, Sharon L.↗

Computational Simulation of Continuous Fiber-Reinforced Ceramic Matrix Composites Behavior

This report describes a methodology which predicts the behavior of ceramic matrix composites and has been incorporated in the computational tool CEMCAN (CEramic Matrix Composite ANalyzer). The approach combines micromechanics with a unique fiber substructuring concept. In this new concept, the conventional unit cell (the smallest representative volume element of the composite) of the micromechanics approach is modified by substructuring it into several slices and developing the micromechanics-based equations at the slice level. The methodology also takes into account nonlinear ceramic matrix composite (CMC) behavior due to temperature and the fracture initiation and progression. Important features of the approach and its effectiveness are described by using selected examples. Comparisons of predictions and limited experimental data are also provided.

Murthy, Pappu L. N.↗

Computer Simulation of Energy Parameters and Magnetic Effects in Fe-Si-C Ternary Alloys

The paper presents ab initio simulation with the WIEN2k software package of the equilibrium structure and properties of silicon and carbon atoms dissolved in iron with the body-centered cubic crystal system of the lattice. Silicon and carbon atoms manifest a repulsive interaction in the first two nearest neighbors, in the second neighbor the repulsion being stronger than in the first. In the third and next-nearest neighbors a very weak repulsive interaction occurs and tends to zero with increasing distance between atoms. Silicon and carbon dissolution reduces the magnetic moment of iron atoms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Challenges & Roadmap for Beyond CMOS Computing Simulation.

Simulating HPC systems is a difficult task and the emergence of “Beyond CMOS” architectures and execution models will increase that difficulty. This document presents a “tutorial” on some of the simulation challenges faced by conventional and non-conventional architectures (Section 1) and goals and requirements for simulating Beyond CMOS systems (Section 2). These provide background for proposed short- and long-term roadmaps for simulation efforts at Sandia (Sections 3 and 4). Additionally, a brief explanation of a proof-of-concept integration of a Beyond CMOS architectural simulator is presented (Section 2.3).

97 MATHEMATICS AND COMPUTING↗

A Landing Gear Noise Reduction Study Based on Computational Simulations

Landing gear is one of the more prominent airframe noise sources. Techniques that diminish gear noise and suppress its radiation to the ground are highly desirable. Using a hybrid computational approach, this paper investigates the noise reduction potential of devices added to a simplified main landing gear model without small scale geometric details. The Ffowcs Williams and Hawkings equation is used to predict the noise at far-field observer locations from surface pressure data provided by unsteady CFD calculations. Because of the simplified nature of the model, most of the flow unsteadiness is restricted to low frequencies. The wheels, gear boxes, and oleo appear to be the primary sources of unsteadiness at these frequencies. The addition of fairings around the gear boxes and wheels, and the attachment of a splitter plate on the downstream side of the oleo significantly reduces the noise over a wide range of frequencies, but a dramatic increase in noise is observed at one frequency. The increased flow velocities, a consequence of the more streamlined bodies, appear to generate extra unsteadiness around other parts giving rise to the additional noise. Nonetheless, the calculations demonstrate the capability of the devices to improve overall landing gear noise.

Khorrami, Mehdi R.↗

Computer simulation of temperatures on the Centaur standard shroud during heated jettison tests

A heating fixture for simulating the heating and environment encountered by the Centaur standard shroud (CSS) during its ascent through the earth's atmosphere is discussed. A computer program was developed to provide a means of determining the overall temperature profile of a free-skin model of the CSS during the heating portion of the heated jettison tests. The program treats the energy contribution of each lamp on the heater to various points on the CSS surface. The analytic model was verified by adapting the computer program to the configuration of the hardware used in a series of Intermediate Scale Tests performed on a 2.4 meters by 2.4 meters section of the CSS corrugated structure. A comparison of some predicted versus experimental results from these tests is presented.

Hemminger, J. A.↗

Computational Simulations of a Mach 0.745 Transonic Truss-Braced Wing Design

A joint effort between the NASA Ames and Langley Research Centers was undertaken to analyze the Mach 0.745 variant of the Boeing Transonic Truss-Braced Wing (TTBW) Design. Two different flow solvers, LAVA and USM3D, were used to predict the TTBW flight performance. Sensitivity studies related to mesh resolution and numerical schemes were conducted to define best practices for this type of geometry and flow regime. Validation efforts compared the numerical simulation results of various modeling methods against experimental data taken from the NASA Ames 11-foot Unitary Wind Tunnel experimental data. The fidelity of the computational representation of the wind tunnel experiment, such as utilizing a porous wall boundary condition to model the ventilated test section, was varied to examine how different tunnel effects influence CFD predictions. LAVA and USM3D results both show an approximate 0.5 angle of attack shift from experimental lift curve data. This drove an investigation that revealed that the trailing edge of the experimental model was rounded in comparison to the CAD model, due to manufacturing tolerances, which had not been accounted for in the initial simulations of the experiment. Simulating the TTBW with an approximation of this rounded trailing-edge reduces error by approximately 60%. An accurate representation of the tested TTBW geometry, ideally including any wing twists and deflections experienced during the test under various loading conditions, will be necessary for proper validation of the CFD.

Maldonado, Daniel↗

Computational Simulations of a Mach 0.745 Transonic Truss-Braced Wing Design

A joint effort between the NASA Ames and Langley Research Centers was undertaken to analyze the Mach 0.745 variant of the Boeing Transonic Truss-Braced Wing (TTBW) Design. Two different flow solvers, LAVA and USM3D, were used to predict the TTBW flight performance. Sensitivity studies related to mesh resolution and numerical schemes were conducted to define best practices for this type of geometry and flow regime. Validation efforts compared the numerical simulation results of various modeling methods against experimental data taken from the NASA Ames 11-foot Unitary Wind Tunnel experimental data. The fidelity of the computational representation of the wind tunnel experiment, such as utilizing a porous wall boundary condition to model the ventilated test section, was varied to examine how different tunnel effects influence CFD predictions. LAVA and USM3D results both show an approximate 0.5o angle of attack shift from experimental lift curve data. This drove an investigation that revealed that the trailing edge of the experimental model was rounded in comparison to the CAD model, due to manufacturing tolerances, which had not been accounted for in the initial simulations of the experiment. Simulating the TTBW with an approximation of this rounded trailing-edge reduces error by approximately 60%. An accurate representation of the tested TTBW geometry, ideally including any wing twists and deflections experienced during the test under various loading conditions, will be necessary for more thorough validation of the CFD.

Maldonado, Daniel↗

Utility of an emulation and simulation computer model for air revitalization system hardware design, development, and test

Efforts to make increasingly use of suitable computer programs in the design of hardware have the potential to reduce expenditures. In this context, NASA has evaluated the benefits provided by software tools through an application to the Environmental Control and Life Support (ECLS) system. The present paper is concerned with the benefits obtained by an employment of simulation tools in the case of the Air Revitalization System (ARS) of a Space Station life support system. Attention is given to the ARS functions and components, a computer program overview, a SAND (solid amine water desorbed) bed model description, a model validation, and details regarding the simulation benefits.

Yanosy, J. L.↗

Computer simulation of inner magnetospheric dynamics for the magnetic storm of July 29, 1977

The Rice University convection model is applied to the early main phase of the July 29, 1977 magnetic storm through a computer implementation that self-consistently calculates electric fields, currents, and plasma distributions and velocities in the inner magnetosphere/ionosphere system. On the basis of solar wind parameters and AL index as inputs, the model predicts the injection of plasma sheet plasma to form a substantial storm time ring current whose total predicted strength agrees with the observed Dst index. The possibility that the magnetic field may be sufficiently inflated to make 60 deg field lines extend to the outer magnetosphere is examined. In the model, distortion of the plasma sheet inner edge by magnetospheric compression associated with the sudden commencement temporarily disrupts the normal Birkeland current pattern. Normal Birkeland currents and shielding reassert themselves in about an hour.

Wolf, R. A.↗

New Computer Simulations of Macular Neural Functioning

We use high performance graphics workstations and supercomputers to study the functional significance of the three-dimensional (3-D) organization of gravity sensors. These sensors have a prototypic architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scaled-up, 3-D versions run on a Cray Y-MP supercomputer. A semi-automated method of reconstruction of neural tissue from serial sections studied in a transmission electron microscope has been developed to eliminate tedious conventional photography. The reconstructions use a mesh as a step in generating a neural surface for visualization. Two meshes are required to model calyx surfaces. The meshes are connected and the resulting prisms represent the cytoplasm and the bounding membranes. A finite volume analysis method is employed to simulate voltage changes along the calyx in response to synapse activation on the calyx or on calyceal processes. The finite volume method insures that charge is conserved at the calyx-process junction. These and other models indicate that efferent processes act as voltage followers, and that the morphology of some afferent processes affects their functioning. In a final application, morphological information is symbolically represented in three dimensions in a computer. The possible functioning of the connectivities is tested using mathematical interpretations of physiological parameters taken from the literature. Symbolic, 3-D simulations are in progress to probe the functional significance of the connectivities. This research is expected to advance computer-based studies of macular functioning and of synaptic plasticity.

Ross, Muriel D.↗

Reticular Materials and AI-Driven Computer Simulations for Seawater Mining of Valuable Metals (Final Technical Report)

This Final Technical Report describes our exploratory efforts that combine reticular materials synthesis (hydrolytically robust metal–organic frameworks, MOFs) with AI‑enabled molecular simulations to develop mechanistic, quantitative design rules for recovering lithium and other alkali-metal ions from highly dilute, competitive aqueous resources (e.g., seawater). The central outcome is a joint experimental–computational study of ion uptake in MOF‑808 (Chemical Science, 2025) that quantifies both thermodynamics and kinetics of Li + , Na + , and K + uptake and identifies how pore size, pore hydration state, dehydration penalties, and pore-window transport barriers govern selectivity. Guided by these insights, we synthesized and tested functionalized MOF‑808 and multivariate MOFs incorporating ion-recognition motifs (including carboxylates and crown-ether linkers) and evaluated uptake in synthetic seawater, highlighting framework topology and pore chemistry as levers for improved Li + /Na + discrimination. We also developed transferable simulation models, enhanced-sampling protocols, and automated workflows that enable systematic screening of porous sorbents.

42 ENGINEERING↗