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Results for “reversible computing”

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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

High–Energy Earth–Abundant Cathodes with Enhanced Cationic/Anionic Redox for Sustainable and Long–Lasting Na–Ion Batteries

Layered iron/manganese-based oxides are a class of promising cathode materials for sustainable batteries due to their high energy densities and earth abundance. However, the stabilization of cationic and anionic redox reactions in these cathodes during cycling at high voltage remain elusive. Here, an electrochemically/thermally stable P2-Na 0.67 Fe 0.3 Mn 0.5 Mg 0.1 Ti 0.1 O 2 cathode material with zero critical elements is designed for sodium-ion batteries (NIBs) to realize a highly reversible capacity of ≈210 mAh g –1 at 20 mA g –1 and good cycling stability with a capacity retention of 74% after 300 cycles at 200 mA g –1 , even when operated with a high charge cut-off voltage of 4.5 V versus sodium metal. Combining a suite of cutting-edge characterizations and computational modeling, it is shown that Mg/Ti co-doping leads to stabilized surface/bulk structure at high voltage and high temperature, and more importantly, enhances cationic/anionic redox reaction reversibility over extended cycles with the suppression of other undesired oxygen activities. This work fundamentally deepens the failure mechanism of Fe/Mn-based layered cathodes and highlights the importance of dopant engineering to achieve high-energy and earth-abundant cathode material for sustainable and long-lasting NIBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Qualitative and quantitative enhancement of parameter estimation for model-based diagnostics using automatic differentiation with an application to inertial fusion

Parameter estimation using observables is a fundamental concept in the experimental sciences. Mathematical models that represent the physical processes can enable reconstructions of the experimental observables and greatly assist in parameter estimation by turning it into an optimization problem which can be solved by gradient-free or gradient-based methods. In this work, the recent rise in flexible frameworks for developing differentiable scientific computing programs is leveraged in order to dramatically accelerate data analysis of a common experimental diagnostic relevant to laser–plasma and inertial fusion experiments, Thomson scattering. A differentiable Thomson-scattering data analysis tool is developed that uses reverse-mode automatic differentiation (AD) to calculate gradients. By switching from finite differencing to reverse-mode AD, three distinct outcomes are achieved. First, gradient descent is accelerated dramatically to the extent that it enables near real-time usage in laser–plasma experiments. Second, qualitatively novel quantities which require $\mathcal{O}(10^3)$ parameters can now be included in the analysis of data which enables unprecedented measurements of small-scale laser–plasma phenomena. Third, uncertainty estimation approaches that leverage the value of the Hessian become accurate and efficient because reverse-mode AD can be used for calculating the Hessian.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Dual-ion ECRAM as a stable and accurate analog synapse

Electrochemical random-access memory (ECRAM) works by tuning the bulk electronic conductance of functional materials via reversible, electrochemical insertion of ions, resulting in stable analog resistive switching, attractive for analog in-memory and neuromorphic computing. However, achieving fast programming for training and long retention for inference has been elusive. Protonic ECRAM demonstrates fast programming but insufficient retention, while oxygen-based ECRAM with excellent retention requires elevated programming temperatures. Cu-based ECRAM offers a compromise, with an activation energy (E A ) of ≈0.76 eV between protons (E A ≈ 0.4 eV) and oxygen (E A > 1 eV), enabling extensive retention and room temperature programming. Combining Cu 2+ ions with protons to form a dual-ion ECRAM, we demonstrate two distinct switching behaviors: fast switching at ≤5 V, (E A ≈ 0.45 eV) via protons, and nonvolatile, room temperature switching at ≥8 V, with E A ≈ 0.76 eV via Cu 2+ ions. In conclusion, the Cu-based state exhibits a wide conductance range, with excellent retention, low noise, and linear current-voltage behavior, achieving digital-equivalent ImageNet inference accuracy.

analog in-memory computing↗
NASA NTRS1990

Two-equation turbulence modeling of oscillatory boundary layers

Three time-dependent turbulent boundary layer problems are treated using a k-epsilon turbulence model. The flows are characterized by large pressure gradients and either reversing or rotating wall shear stress vectors. Two existing and one new near-wall formulations are tested. The computed results are compared with data from Direct Numerical Simulations of the same flows. In one case previously unpublished DNS-data are given. It is found that the k-epsilon model can provide good predictions for the wall shear as well as profiles of velocities, turbulent kinetic energy, and dissipation. The crucial part is the choice of near-wall terms.

Justesen, Peter↗
NASA NTRS1963

Planetary Aeronomy: NO2 In the Martian Atmosphere - 2

The transmission curve of the Martian atmosphere derived by Opik is compared with transmission curves of an atmosphere containing various amounts of nitrogen dioxide. It is found that the amount of 6 x l0(exp 18) sq cm column NO2 (or even less) given by Sinton as an upper limit for the Martian NO2 content could adequately explain the phenomenon of the blue haze. This finding made it worthwhile to investigate the effect of the temperature and pressure sensitive equilibrium 2 NO2 reversibly yields N204 upon the total NO2 content and the altitude-number density distributions of NO2 and N204. Computations were carried out for surface temperatures of 273 K, 243 K, 213 K, and 183 K and for three different temperature distributions. The discussion of the results leads to the suggestion of several important new experiments.

Warneck, P.↗
NASA NTRS2013

Using CFD Surface Solutions to Shape Sonic Boom Signatures Propagated from Off-Body Pressure

The conceptual design of a low-boom and low-drag supersonic aircraft remains a challenge despite significant progress in recent years. Inverse design using reversed equivalent area and adjoint methods have been demonstrated to be effective in shaping the ground signature propagated from computational fluid dynamics (CFD) off-body pressure distributions. However, there is still a need to reduce the computational cost in the early stages of design to obtain a baseline that is feasible for low-boom shaping, and in the search for a robust low-boom design over the entire sonic boom footprint. The proposed design method addresses the need to reduce the computational cost for robust low-boom design by using surface pressure distributions from CFD solutions to shape sonic boom ground signatures propagated from CFD off-body pressure.

Ordaz, Irian↗
NASA NTRS2016

A Multi-Center Space Data System Prototype Based on CCSDS Standards

Deep space missions beyond earth orbit will require new methods of data communications in order to compensate for increasing Radio Frequency (RF) propagation delay. The Consultative Committee for Space Data Systems (CCSDS) standard protocols Spacecraft Monitor & Control (SM&C), Asynchronous Message Service (AMS), and Delay/Disruption Tolerant Networking (DTN) provide such a method. However, the maturity level of this protocol stack is insufficient for mission inclusion at this time. This Space Data System prototype is intended to provide experience which will raise the Technical Readiness Level (TRL) of this protocol set. In order to reduce costs, future missions can take advantage of these standard protocols, which will result in increased interoperability between control centers. This prototype demonstrates these capabilities by implementing a realistic space data system in which telemetry is published to control center applications at the Jet Propulsion Lab (JPL), the Marshall Space Flight Center (MSFC), and the Johnson Space Center (JSC). Reverse publishing paths for commanding from each control center are also implemented. The target vehicle consists of realistic flight computer hardware running Core Flight Software (CFS) in the integrated Power, Avionics, and Power (iPAS) Pathfinder Lab at JSC. This prototype demonstrates a potential upgrade path for future Deep Space Network (DSN) modification, in which the automatic error recovery and communication gap compensation capabilities of DTN would be exploited. In addition, SM&C provides architectural flexibility by allowing new service providers and consumers to be added efficiently anywhere in the network using the common interface provided by SM&C's Message Abstraction Layer (MAL). In FY 2015, this space data system was enhanced by adding telerobotic operations capability provided by the Robot API Delegate (RAPID) family of protocols developed at NASA. RAPID is one of several candidates for consideration and inclusion in a new international standard being developed by the CCSDS Telerobotic Operations Working Group. Software gateways for the purpose of interfacing RAPID messages with the existing SM&C based infrastructure were developed. Telerobotic monitor, control, and bridge applications were written in the RAPID framework, which were then tailored to the NAO telerobotic test article hardware, a product of Aldebaran Robotics.

Rich, Thomas M.↗
DOE OSTI2020

Recovery of Damaged Information and the Out-of-Time-Ordered Correlators

The evolution with a complex Hamiltonian generally leads to information scrambling. A time-reversed dynamics unwinds this scrambling and thus leads to the original information recovery. In this work, we show that if the scrambled information is, in addition, partially damaged by a local measurement, then such a damage can still be treated by application of the time-reversed protocol. This information recovery is described by the long-time saturation value of a certain out-of-time-ordered correlator of local variables. We also propose a simple test that distinguishes between quantum and reversible classical chaotic information scrambling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Thermodynamically consistent incorporation of the Langmuir adsorption model into compressible fluctuating hydrodynamics

For a gas–solid interfacial system where chemical species undergo reversible adsorption, we develop a mesoscopic stochastic modeling method that simulates both gas-phase hydrodynamics and surface coverage dynamics by coupling the Langmuir adsorption model with compressible fluctuating hydrodynamics. To this end, we derive a thermodynamically consistent mass–energy update scheme that accounts for how the mass and energy variables in the gas and surface subsystems should be updated according to the changes in the number of molecules of each species in each subsystem due to adsorption and desorption events. By performing a stochastic analysis for the ideal Langmuir model and the full hydrodynamic system, we analytically confirm that our mass–energy update scheme captures thermodynamic equilibrium predicted by equilibrium statistical mechanics. We find that an internal energy correction term is needed, which is attributed to the difference in the mean kinetic energy of gas molecules colliding with the surface from that computed from the Maxwell–Boltzmann distribution. By performing an equilibrium simulation study for an ideal gas mixture of CO and Ar, with CO undergoing reversible adsorption, we validate our overall simulation method and implementation.

Adsorption↗
NASA NTRS1978

Computer experiments on the effect of retrograde stars in disk galaxies

Using large-scale N-body calculations for flat disk galaxies, we examine the effect of reversing the angular momentum for various fractions of the stars upon the global bar-forming mode. The initial conditions for these simulations are based on stationary states of two classes of models: the isochrones studied recently by Kalnajs by means of linear theory, and a model resembling the Schmidt model of our own Galaxy. In both cases, as the fraction of retrograde stars is increased, the growth of the bar-forming mode is inhibited (although not eliminated). These N-body results for the isochrones agree with the predictions of linear theory, quantitatively as well as qualitatively.

Zang, T. A.↗
DOE OSTI2026

Kinetic and modeling studies of the mechanism of the dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2

Since its discovery over 15 years ago, the reversible dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 has remained one of the more intriguing hydrogen-cycling systems. While the mechanism of this reaction has been the subject of a good deal of speculation and computational studies, prior to this work it had not been probed through kinetic studies. Previous reports of the dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 have not included kinetic studies. The present studies have shown that the dehydrogenation of Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 is suppressed by hydrogen pressure indicating that the rate-limiting step in this process involves hydrogen elimination. Computational modeling of kinetic data obtained from monitoring the hydrogen elimination from Mg(BH 4 ) 2 to Mg(B 3 H 8 ) 2 under static vacuum over a range of temperatures supports that the dehydrogenation occurs through a reversible three-step process in which the elimination of hydrogen from the [B 3 H 10 ] − intermediate is rate limiting. A mechanism involving the low energy transfer of neighboring BH3 groups is proposed to account for the formation of [B 3 H 8 ] − at relatively low temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Machine‐Learning‐Driven Exploration of Surface Reconstructions of Reduced Rutile TiO 2

Abstract Titanium dioxide (TiO 2 ) is widely used as a catalyst support due to its stability, tunable electronic properties, and surface oxygen vacancies, which are crucial for catalytic processes such as the reverse water‐gas shift (RWGS) reaction. Reduced TiO 2 surfaces undergo complex surface reconstructions that endow unique properties but are computationally challenging to describe. In this study, we utilize machine‐learning interatomic potentials (MLIPs) integrated with an active‐learning workflow to efficiently explore reduced rutile TiO 2 surfaces. This approach enabled the prediction of a phase diagram as a function of oxygen chemical potential, revealing a variety of reconstructed phases, including a previously unreported subsurface shear plane structure. We further investigate the electronic properties of these surfaces and validate our results by comparing experimental and theoretical high‐resolution transmission electron microscopy (HRTEM). Our findings provide new insights into how extreme surface reductions influence the structural and electronic properties of TiO 2 , with potential implications for catalyst design.

Lee, Yonghyuk [Chemistry and Biochemistry Universi↗
DOE OSTI2021

Temperature-dependent collective magnetization reversal in a network of ferromagnetic nanowires

The collective behavior of geometrically frustrated magnetization in connected networks of ferromagnetic nanowires, known as artificial spin ice, leads to complex magnetotransport behavior in those structures. Here, we present temperature- and current-dependent magnetotransport studies on a connected square artificial spin-ice system and correlate our observations to micromagnetic simulations. We find that the field at which the lattice magnetization collectively switches increases as the temperature is lowered. Our experimental findings highlight the importance of the global and local temperatures for the onset of a collective magnetization reversal in the connected system. These studies may also provide useful insights into novel storage concepts and applications in neuromorphic computing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Topology invisible to eigenvalues in obstructed atomic insulators

Here we consider the extent to which symmetry eigenvalues reveal the topological character of bands. Specifically, we compare distinct atomic limit phases (band representations) that share the same irreducible representations (irreps) at all points in the Brillouin zone and, therefore, appear equivalent in a classification based on eigenvalues. We derive examples where such “irrep-equivalent” phases can be distinguished by a quantized Berry phase or generalization thereof. These examples constitute a generalization of the Su-Schrieffer-Heeger chain: neither phase is topological, in the sense that localized Wannier functions exist, yet there is a topological obstruction between them. We refer to two phases as “Berry obstructed atomic limits” if they have the same irreps, but differ by Berry phases. This is a distinct notion from eigenvalue obstructed atomic limits, which differ in their symmetry irreps at some point in the Brillouin zone. We compute exhaustive lists of elementary band representations that are irrep equivalent, in all space groups, with and without time-reversal symmetry and spin-orbit coupling, and use group theory to derive a set of necessary conditions for irrep equivalence. Finally, we conjecture, and in some cases prove, that irrep-equivalent elementary band representations that are not equivalent can be distinguished by a topological invariant.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Reflective optical system for a hemispherical field radiometer

The Radiation Measurement System (RAMS) is a project at NASA Ames Research Center to develop infrared radiometers for use in studying radiative transfer within the earth's atmosphere. These radiometers will use a liquid nitrogen cooled reference source and thermal stabilization of the optics. One of the radiometer designs calls for a hemispherical field of view, which has stimulated development of a new optical system. The system developed uses Winston cones, some of them in the reverse of the usual direction. This optical system has been optimized for the RAMS project needs and simulated on a computer for verification.

Davis, Paul K.↗
NASA NTRS2004

Experimental and Computational Evaluation of Flush-Mounted, S-Duct Inlets

A new high Reynolds number test capability for boundary layer ingesting inlets has been developed for the NASA Langley Research Center 0.3-Meter Transonic Cryogenic Tunnel. Using this new capability. an experimental investigation of four S-duct inlet configurations was conducted. A computational study of one of the inlets was also conducted using a Navier-Stokes solver. The objectives of this investigation were to: 1) develop a new high Reynolds number inlet test capability for flush-mounted inlets; 2) provide a database for CFD tool validation; 3) evaluate the performance of S-duct inlets with large amounts of boundary layer ingestion; and 4) provide a baseline inlet for future inlet flow-control studies. Tests were conducted at Mach numbers from 0.25 to 0.83. Reynolds numbers (based on duct exit diameter) from 5.1 million to a full-scale value of 13.9 million, and inlet mass-flow ratios from 0.39 to 1.58 depending on Mach number. Results of the experimental study indicate that inlet pressure recovery generally decreased and inlet distortion generally increased with increasing Mach number. Except at low Mach numbers, increasing inlet mass-flow increased pressure recovery and increased distortion. Increasing the amount of boundary layer ingestion or ingesting a boundary layer with a distorted profile decreased pressure recovery and increased distortion. Finally, increasing Reynolds number had almost no effect on inlet distortion but increased inlet recovery by about one-half percent at a Mach number near cruise. The computational results captured the inlet pressure recovery and distortion trends with Mach number and inlet mass-flow well: the reversal of the pressure recovery trend with increasing inlet mass-flow at low and high Mach numbers was predicted by CFD. However, CFD results were generally more pessimistic (larger losses) than measured experimentally.

Berrier, Bobby L.↗
NASA NTRS2013

Application of Adjoint Methodology to Supersonic Aircraft Design Using Reversed Equivalent Areas

This paper presents an approach to shape an aircraft to equivalent area based objectives using the discrete adjoint approach. Equivalent areas can be obtained either using reversed augmented Burgers equation or direct conversion of off-body pressures into equivalent area. Formal coupling with CFD allows computation of sensitivities of equivalent area objectives with respect to aircraft shape parameters. The exactness of the adjoint sensitivities is verified against derivatives obtained using the complex step approach. This methodology has the benefit of using designer-friendly equivalent areas in the shape design of low-boom aircraft. Shape optimization results with equivalent area cost functionals are discussed and further refined using ground loudness based objectives.

Rallabhandi, Sriram K.↗