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Results for “reversible computation”

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 OSTI2017

On the use of reverse Brownian motion to accelerate hybrid simulations

Multiscale and multiphysics simulations are two rapidly developing fields of scientific computing. Efficient coupling of continuum (deterministic or stochastic) constitutive solvers with their discrete (stochastic, particle-based) counterparts is a common challenge in both kinds of simulations. We focus on interfacial, tightly coupled simulations of diffusion that combine continuum and particle-based solvers. The latter employs the reverse Brownian motion (rBm), a Monte Carlo approach that allows one to enforce inhomogeneous Dirichlet, Neumann, or Robin boundary conditions and is trivially parallelizable. We discuss numerical approaches for improving the accuracy of rBm in the presence of inhomogeneous Neumann boundary conditions and alternative strategies for coupling the rBm solver with its continuum counterpart. Numerical experiments are used to investigate the convergence, stability, and computational efficiency of the proposed hybrid algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2013

Simulation of Detecting Damage in Composite Stiffened Panel Using Lamb Waves

Lamb wave damage detection in a composite stiffened panel is simulated by performing explicit transient dynamic finite element analyses and using signal imaging techniques. This virtual test process does not need to use real structures, actuators/sensors, or laboratory equipment. Quasi-isotropic laminates are used for the stiffened panels. Two types of damage are studied. One type is a damage in the skin bay and the other type is a debond between the stiffener flange and the skin. Innovative approaches for identifying the damage location and imaging the damage were developed. The damage location is identified by finding the intersection of the damage locus and the path of the time reversal wave packet re-emitted from the sensor nodes. The damage locus is a circle that envelops the potential damage locations. Its center is at the actuator location and its radius is computed by multiplying the group velocity by the time of flight to damage. To create a damage image for estimating the size of damage, a group of nodes in the neighborhood of the damage location is identified for applying an image condition. The image condition, computed at a finite element node, is the zero-lag cross-correlation (ZLCC) of the time-reversed incident wave signal and the time reversal wave signal from the sensor nodes. This damage imaging process is computationally efficient since only the ZLCC values of a small amount of nodes in the neighborhood of the identified damage location are computed instead of those of the full model.

Wang, John T.↗
NASA NTRS1975

Hamilton Standard Q-fan demonstrator dynamic pitch change test program, volume 1

Tests of a full scale variable pitch fan engine to obtain data on the structural characteristics, response times, and fan/core engine compatibility during transient changes in blade angle, fan rpm, and engine power is reported. Steady state reverse thrust tests with a take off nozzle configuration were also conducted. The 1.4 meter diameter, 13 bladed controllable pitch fan was driven by a T55 L 11A engine with power and blade angle coordinated by a digital computer. The tests demonstrated an ability to change from full forward thrust to reverse thrust in less than one (1) second. Reverse thrust was effected through feather and through flat pitch; structural characteristics and engine/fan compatibility were within satisfactory limits.

Demers, W. J.↗
DOE OSTI2016

Experimental validation benchmark data for CFD of transient convection from forced to natural with flow reversal on a vertical flat plate

Transient convection has been investigated experimentally for the purpose of providing Computational Fluid Dynamics (CFD) validation benchmark data. A specialized facility for validation benchmark experiments called the Rotatable Buoyancy Tunnel was used to acquire thermal and velocity measurements of flow over a smooth, vertical heated plate. The initial condition was forced convection downward with subsequent transition to mixed convection, ending with natural convection upward after a flow reversal. Data acquisition through the transient was repeated for ensemble-averaged results. With simple flow geometry, validation data were acquired at the benchmark level. All boundary conditions (BCs) were measured and their uncertainties quantified. Temperature profiles on all four walls and the inlet were measured, as well as as-built test section geometry. Inlet velocity profiles and turbulence levels were quantified using Particle Image Velocimetry. System Response Quantities (SRQs) were measured for comparison with CFD outputs and include velocity profiles, wall heat flux, and wall shear stress. Extra effort was invested in documenting and preserving the validation data. Details about the experimental facility, instrumentation, experimental procedure, materials, BCs, and SRQs are made available through this paper. As a result, the latter two are available for download and the other details are included in this work.

42 ENGINEERING↗
DOE OSTI2020

Elucidation of Active Oxygen Sites upon Delithiation of Li 3 IrO 4

Transformational increases in the storage capacity of battery cathodes could be achieved by tapping into the redox activity at oxide ligands in addition to conventional transition metal couples. However, the key signatures that govern such lattice oxygen redox (LOR) have not been ascertained. Li 3 IrO 4 has the largest reversible LOR, rendering it a unique model system. Here, X-ray spectroscopy and computational simulations reveal that LOR in Li 3 IrO 4 is selectively compensated via O sites with three lone pairs, which are activated by Li/Ir disorder. The two-electron LOR can be reversed to regenerate the initial state without unlocking competing bulk reactions observed in many other compounds. We uncover an intricate interplay between stoichiometry, O coordination, and nonbonding states in LOR and pinpoint spectroscopic signatures. This interplay is indispensable for designing materials with 3d metals that fulfill the promise of LOR to overcome the bottlenecks of current cathodes for future implementation in practical batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

An efficient level set method for tracking many materials

Here, we present an efficient level set method to track an arbitrary number of materials. The algorithm is optimal in the sense that it only needs to store a single unsigned distance-like function and a single integer indicator function, independent of the number of materials or distinct regions being tracked. Furthermore, for smooth velocity fields and smooth interface shape, arbitrarily high order solutions can be demonstrated. For interfaces that are or become kinked, the solution is limited to second-order convergence rates in the L 1 norm and first-order in the L ∞ norm.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Derivations of the Total Radiation Belt Electron Content

Abstract We present multiple derivations of the Total Radiation Belt Electron Content (TRBEC), an indicator of the global number of electrons that instantaneously occupy the radiation belts. Derived from electron flux measurements, the TRBEC reduces the spatial information into a scalar quantity that concisely describes global aspects of the system. This index provides a simple, global, and long‐term assessment of the radiation belts that enables systematic analysis. In this work, we examine the TRBEC using the adiabatic invariants of which has been used in previous articles as this coordinate system removes reversible adiabatic effects. We then introduce a new expression to compute the TRBEC using the non‐adiabatic coordinates of , relevant in the contexts of energetic electron precipitation, chorus, and hiss scattering where adiabatic invariant quantities are no longer conserved. From both expressions of the TRBEC we demonstrate that an erroneous factor of that appeared in previous works using the adiabatic derivation led to an overestimate of the reported electron populations. In addition, we quantify electron loss in the outer radiation belt via a case study using the Van Allen Probes data over a 20‐day period from March 2013 specifying particle populations both in terms of the aforementioned adiabatic and non‐adiabatic variables. The total number of electrons in the outer radiation belt reached upwards of electrons at the peak of the storm, a rest mass of roughly 10 g.

Astronomy & Astrophysics↗
DOE OSTI2015

Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling

In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

The effect of polymer stiffness on magnetization reversal of magnetorheological elastomers

Ultrasoft magnetorheological elastomers (MREs) offer convenient real-time magnetic field control of mechanical properties that provides a means to mimic mechanical cues and regulators of cells in vitro. Here, we systematically investigate the effect of polymer stiffness on magnetization reversal of MREs using a combination of magnetometry measurements and computational modeling. Poly-dimethylsiloxane-based MREs with Young’s moduli that range over two orders of magnitude were synthesized using commercial polymers Sylgard™ 527, Sylgard 184, and carbonyl iron powder. The magnetic hysteresis loops of the softer MREs exhibit a characteristic pinched loop shape with almost zero remanence and loop widening at intermediate fields that monotonically decreases with increasing polymer stiffness. A simple two-dipole model that incorporates magneto-mechanical coupling not only confirms that micrometer-scale particle motion along the applied magnetic field direction plays a defining role in the magnetic hysteresis of ultrasoft MREs but also reproduces the observed loop shapes and widening trends for MREs with varying polymer stiffnesses.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Statistical relationship between metabolic decomposition and chemical uptake predicts bioconcentration factor data for diverse chemical exposures

Background: A challenge of in vitro to in vivo extrapolation (IVIVE) is to predict the physical state of organisms exposed to chemicals in the environment from in vitro exposure assay data. Although toxicokinetic modeling approaches promise to bridge in vitro screening data with i Danio rerio ) based upon particle swarm optimizations (PSO) of the chemical uptake and degradation rates that predict bioconcentration factors (BCF) for a broad range of chemicals. PSO reveals a relationship between chemical uptake and decomposition parameter values that predicts chemical-specific BCF values with moderate statistical agreement to a limited yet diverse chemical dataset, and all without a need to retrain the model to new data. Conclusions: The presented model requires only the octanol-water partitioning ratio to predict BCFs to a fidelity consistent with existing QSAR models. This success begs re-evaluation of the modeling assumptions; specifically, it suggests that chemical uptake into arterial blood may be limited by transport across gill membranes (diffusion) rather than by counter-current flow between gill lamellae (convection). Therefore, more detailed molecular modeling of aquatic respiration may further improve predictive accuracy of the rTK approach.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Jan-Dec 2021 IC Project: w20_earthquake (Yearly Report) [Slides]

Large-scale simulations were conducted using the computational tool HOSS to investigate scientific aspects of the time reversal process. The main focus was the identification of damage/defects in wellbores for relevant subsurface applications.

58 GEOSCIENCES↗
DOE OSTI2020

Research Introduction [Slides]

In the topic of Reverse Time Imaging, we proposed a new IC to reduce computation cost but reserve image resolution for distributed sensor networks. For Induced Seismicity in Oklahoma, we analyzed fault stress state analysis at state scale, and we applied machine learning techniques to polarity picking and seismicity rate forecasting. The results provide better understanding of fault properties, stress field, and the relationships among fault, stress state, injections, and potential seismic hazards. Lastly, for Microseismic Monitoring, we detected and located 770 low-frequency events (5-50 Hz): (1) Shallow events are highly clustered, consistent with the pathway from injection well 13-10A to monitoring well; moment tensor inversion shows dominant tensile cracking; (2) Deep events are scattered and show migration pattern to the basement; moment tensors show that most events are shear cracks.

58 GEOSCIENCES↗
NASA NTRS1972

Shock pair observation

On day 84, 1969, the HEOS 1 satellite observed a shock pair connected with a plasma bulk velocity increase from 400 to approximately 750 km/sec. Both shocks were fast shocks. The forward shock had a Mach number of 1.7, the reverse shock had M(fast) = 1.4. The time interval between the two shocks was 7 hrs, 10 min. The time delay between HEOS 1 and Explorer 35 reverse shock observation (20 + or - 6 min) agrees with the computed time delay (11 + or - 4 min).

Chao, J. K.↗
NASA NTRS1980

Three-layer interactive method for computing supersonic laminar separated flows

An interactive model for numerical computation of complicated two-dimensional flowfields including regions of reversed flow is proposed. The present approach is one of dividing the flowfield into three regions, in each of which a simplified mathematical model is applied: (1) outer, supersonic flow for which the full potential equation (hyperbolic) is used; (2) viscous, laminar layer in which the compressible boundary-layer model (parabolic) is used; and (3) recirculating flow modeled by the incompressible Navier-Stokes equations (elliptic). For matching of the numerical solutions in the three layers, two interaction models are developed: one for pressure interaction, the other for interaction between the shear layer and the recirculating flow. The uniform solution for the whole flowfield is then obtained by iteration of the local solutions under the constraints imposed by matching. The three-layer interactive model is used for solution of the flowfield past an asymmetric cavity. The method is shown to be capable of dealing with backflow without encountering problems at separation, characteristic to the boundary-layer approach.

Brandeis, J.↗
NASA NTRS1993

An Experimental and Theoretical Study of Radiative Extinction of Diffusion Flames

In a recent paper on 'Observations of candle flames under various atmospheres in microgravity' by Ross et al., it was found that for the same atmosphere, the burning rate per unit wick surface area and the flame temperature were considerably reduced in microgravity as compared with normal gravity. Also, the flame (spherical in microgravity) was much thicker and further removed from the wick. It thus appears that the flame becomes 'weaker' in microgravity due to the absence of buoyancy generated flow which serves to transport the oxidizer to the combustion zone and remove the hot combustion products from it. The buoyant flow, which may be characterized by the strain rate, assists the diffusion process to execute these essential functions for the survival of the flame. Thus, the diffusion flame is 'weak' at very low strain rates and as the strain rate increases the flame is initially 'strengthened' and eventually it may be 'blown out'. The computed flammability boundaries of T'ien show that such a reversal in material flammability occurs at strain rates around 5 sec. At very low or zero strain rates, flame radiation is expected to considerably affect this 'weak' diffusion flame because: (1) the concentration of combustion products which participate in gas radiation is high in the flame zone; and (2) low strain rates provide sufficient residence time for substantial amounts of soot to form which is usually responsible for a major portion of the radiative heat loss. We anticipate that flame radiation will eventually extinguish this flame. Thus, the objective of this project is to perform an experimental and theoretical investigation of radiation-induced extinction of diffusion flames under microgravity conditions. This is important for spacecraft fire safety.

Atreya, Arvind↗
NASA NTRS1999

Reinforcement Learning in a Nonstationary Environment: The El Farol Problem

This paper examines the performance of simple learning rules in a complex adaptive system based on a coordination problem modeled on the El Farol problem. The key features of the El Farol problem are that it typically involves a medium number of agents and that agents' pay-off functions have a discontinuous response to increased congestion. First we consider a single adaptive agent facing a stationary environment. We demonstrate that the simple learning rules proposed by Roth and Er'ev can be extremely sensitive to small changes in the initial conditions and that events early in a simulation can affect the performance of the rule over a relatively long time horizon. In contrast, a reinforcement learning rule based on standard practice in the computer science literature converges rapidly and robustly. The situation is reversed when multiple adaptive agents interact: the RE algorithms often converge rapidly to a stable average aggregate attendance despite the slow and erratic behavior of individual learners, while the CS based learners frequently over-attend in the early and intermediate terms. The symmetric mixed strategy equilibria is unstable: all three learning rules ultimately tend towards pure strategies or stabilize in the medium term at non-equilibrium probabilities of attendance. The brittleness of the algorithms in different contexts emphasize the importance of thorough and thoughtful examination of simulation-based results.

Bell, Ann Maria↗
NASA NTRS2003

Some Advanced Concepts in Discrete Aerodynamic Sensitivity Analysis

An efficient incremental iterative approach for differentiating advanced flow codes is successfully demonstrated on a two-dimensional inviscid model problem. The method employs the reverse-mode capability of the automatic differentiation software tool ADIFOR 3.0 and is proven to yield accurate first-order aerodynamic sensitivity derivatives. A substantial reduction in CPU time and computer memory is demonstrated in comparison with results from a straightforward, black-box reverse-mode applicaiton of ADIFOR 3.0 to the same flow code. An ADIFOR-assisted procedure for accurate second-rder aerodynamic sensitivity derivatives is successfully verified on an inviscid transonic lifting airfoil example problem. The method requires that first-order derivatives are calculated first using both the forward (direct) and reverse (adjoinct) procedures; then, a very efficient noniterative calculation of all second-order derivatives can be accomplished. Accurate second derivatives (i.e., the complete Hesian matrices) of lift, wave drag, and pitching-moment coefficients are calculated with respect to geometric shape, angle of attack, and freestream Mach number.

Taylor, Arthur C., III↗