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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Study of the development of relativistic plasma bunches in a long mirror trap by optical and X-ray imaging and numerical simulations

The work presents experimental results demonstrating the feasibility of autoresonance acceleration of electrons in a long mirror trap with a reverse magnetic field. It is shown that gyromagnetic autoresonance results in the formation of a plasma bunch with average electron energy of several hundred keV, which is confined for a long time in the trap. The results of computer simulations of the regime of reverse gyromagnetic autoresonance agree well with the experimental data.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2000

Genetic Network Inference: From Co-Expression Clustering to Reverse Engineering

Advances in molecular biological, analytical, and computational technologies are enabling us to systematically investigate the complex molecular processes underlying biological systems. In particular, using high-throughput gene expression assays, we are able to measure the output of the gene regulatory network. We aim here to review datamining and modeling approaches for conceptualizing and unraveling the functional relationships implicit in these datasets. Clustering of co-expression profiles allows us to infer shared regulatory inputs and functional pathways. We discuss various aspects of clustering, ranging from distance measures to clustering algorithms and multiple-duster memberships. More advanced analysis aims to infer causal connections between genes directly, i.e., who is regulating whom and how. We discuss several approaches to the problem of reverse engineering of genetic networks, from discrete Boolean networks, to continuous linear and non-linear models. We conclude that the combination of predictive modeling with systematic experimental verification will be required to gain a deeper insight into living organisms, therapeutic targeting, and bioengineering.

Dhaeseleer, Patrik↗
DOE OSTI2015

Bubble chambers for experiments in nuclear astrophysics

A bubble chamber has been developed to be used as an active target system for low energy nuclear astrophysics experiments. Adopting ideas from dark matter detection with superheated liquids, a detector system compatible with gamma-ray beams has been developed. This detector alleviates some of the limitations encountered in standard measurements of the minute cross sections of interest to stellar environments. While the astrophysically relevant nuclear reaction processes at hydrostatic burning temperatures are dominated by radiative captures, in this experimental scheme we measure the time reversed processes. Such photodisintegrations allow us to compute the radiative capture cross sections when transitions to excited states of the reaction products are negligible. Due to the transformation of phase space, the photodisintegration cross-sections are up to two orders of magnitude higher. The main advantage of the new target-detector system is a density several orders of magnitude higher than conventional gas targets. Also, the detector is virtually insensitive to the gamma-ray beam itself, thus allowing us to detect only the products of the nuclear reaction of interest. The development and the operation as well as the advantages and disadvantages of the bubble chamber are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Using Modeling and Simulation to Complement Testing for Increased Understanding of Weapon Subassembly Response.

As part of Sandia’s nuclear deterrence mission, the B61-12 Life Extension Program (LEP) aims to modernize the aging weapon system. Modernization requires requalification and Sandia is using high performance computing to perform advanced computational simulations to better understand, evaluate, and verify weapon system performance in conjunction with limited physical testing. The Nose Bomb Subassembly (NBSA) of the B61-12 is responsible for producing a fuzing signal upon ground impact. The fuzing signal is dependent upon electromechanical impact sensors producing valid electrical fuzing signals at impact. Computer generated models were used to assess the timing between the impact sensor’s response to the deceleration of impact and damage to major components and system subassemblies. The modeling and simulation team worked alongside the physical test team to design a large-scale reverse ballistic test to not only assess system performance, but to also validate their computational models. The reverse ballistic test conducted at Sandia’s sled test facility sent a rocket sled with a representative target into a stationary B61-12 (NBSA) to characterize the nose crush and functional response of NBSA components. Data obtained from data recorders and high-speed photometrics were integrated with previously generated computer models in order to refine and validate the model’s ability to reliably simulate real-world effects. Large-scale tests are impractical to conduct for every single impact scenario. By creating reliable computer models, we can perform simulations that identify trends and produce estimates of outcomes over the entire range of required impact conditions. Sandia’s HPCs enable geometric resolution that was unachievable before, allowing for more fidelity and detail, and creating simulations that can provide insight to support evaluation of requirements and performance margins. As computing resources continue to improve, researchers at Sandia are hoping to improve these simulations so they provide increasingly credible analysis of the system response and performance over the full range of conditions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRSDate not supplied

Computational Assessment of Inlet Backflow Effects on Rotating Detonation Engine Performance and Operability

The performance impact of flow reversal at the inlet of an airbreathing rotating detonation engine (RDE) is investigated using 2 and 3-dimensional computational fluid dynamic (CFD) simulations. Flow reversal, or backflow, occurs in RDE inlets in the high-pressure region directly behind the rotating detonation front. This is also where most of the engine thrust or pressure gain is produced. The amount of backflow relative to throughflow depends on the inlet design. For the present work, a simple annular ‘slit’ design is used. The simulations are idealized in several ways, including that fuel and air are premixed, but prevented from reacting when within the inlet region. The results indicate that even with idealizations, the impact of inlet backflow on pressure gain can be substantial. The simulations also reveal an intriguing instability that develops in certain configurations. The mass flow rate into the RDE begins to oscillate at a regular frequency that is substantially less than the detonation rotational frequency. This is accompanied by oscillations in the detonation height. The oscillation amplitude grows over time until the detonation ultimately fails. Both the performance and instability results emphasize the need for carefully designed RDE inlets that provide low loss when flow is in the forward direction, but high resistance when the flow is reversed. Development of such high-diodicity inlets is critical to achieving pressure gain in airbreathing RDE’s.

Detonation↗
NASA NTRSDate not supplied

Computational Assessment of Inlet Backflow Effects on Rotating Detonation Engine Performance and Operability

The performance impact of flow reversal at the inlet of an airbreathing rotating detonation engine (RDE) is investigated using 2 and 3-dimensional computational fluid dynamic (CFD) simulations. Flow reversal, or backflow, occurs in RDE inlets in the high-pressure region directly behind the rotating detonation front. This is also where most of the engine thrust or pressure gain is produced. The amount of backflow relative to throughflow depends on the inlet design. For the present work, a simple annular ‘slit’ design is used. The simulations are idealized in several ways, including that fuel and air are premixed, but prevented from reacting when within the inlet region. The results indicate that even with idealizations, the impact of inlet backflow on pressure gain can be substantial. The simulations also reveal an intriguing instability that develops in certain configurations. The mass flow rate into the RDE begins to oscillate at a regular frequency that is substantially less than the detonation rotational frequency. This is accompanied by oscillations in the detonation height. The oscillation amplitude grows over time until the detonation ultimately fails. Both the performance and instability results emphasize the need for carefully designed RDE inlets that provide low loss when flow is in the forward direction, but high resistance when the flow is reversed. Development of such high-diodicity inlets is critical to achieving pressure gain in airbreathing RDE’s.

detonation↗
NASA NTRS1992

Coupled numerical simulation of the external and engine inlet flows for the F-18 at large incidence

This paper presents a numerical simulation of the external and engine inlet flows for the F-18 aircraft at typical high-angle-of-attack flight conditions. Two engine inlet mass flow rates, corresponding to flight idle and maximum power, were computed. This was accomplished using a structured, overset grid technique to couple the external and internal grid systems. Reynolds-averaged Navier-Stokes solutions were obtained using an implicit, finite-differencing scheme. Results show a strong coupling of the external and engine inlet flows, especially at the maximum power setting. Increasing the mass flow rate through the inlet caused the primary vortex breakdown location to move downstream. This trend is also observed in flight tests performed on the F-18. A reversed flow region upstream of the inlet duct is visible in the faired-inlet and flight-idle computations. This flow reversal is not present in the maximum power setting computation. These large-scale changes in flow structure highlight the importance of simulating inlet conditions in high-angle-of-attack aircraft computations.

Murman, Scott M.↗
NASA NTRS1995

Investigation of wing upper surface flow-field disturbance due to NASA DC-8-72 in-flight inboard thrust-reverser deployment

An investigation of the wing upper surface flow-field disturbance due to in-flight inboard thrust reverser deployment on the NASA DC-8-72, which was conducted cooperatively by NASA Ames, the Federal Aviation Administration (FAA), McDonnell Douglas, and the Aerospace Industry Association (AIA), is outlined and discussed in detail. The purpose of this flight test was to obtain tufted flow visualization data which demonstrates the effect of thrust reverser deployment on the wing upper surface flow field to determine if the disturbed flow regions could be modeled by computational methods. A total of six symmetric thrust reversals of the two inboard engines were performed to monitor tuft and flow cone patterns as well as the character of their movement at the nominal Mach numbers of 0.55, 0.70, and 0.85. The tufts and flow cones were photographed and video-taped to determine the type of flow field that occurs with and without the thrust reversers deployed. In addition, the normal NASA DC-8 onboard Data Acquisition Distribution System (DADS) was used to synchronize the cameras. Results of this flight test will be presented in two parts. First, three distinct flow patterns associated with the above Mach numbers were sketched from the motion videos and discussed in detail. Second, other relevant aircraft parameters, such as aircraft's angular orientation, altitude, Mach number, and vertical descent, are discussed. The flight test participants' comments were recorded on the videos and the interested reader is referred to the video supplement section of this report for that information.

Hamid, Hedayat U.↗
DOE OSTI2023

Simulation of Reverse Osmosis Membrane Compaction Using Material Point Method (MPM)

Access to fresh drinking water in the future requires effective management of industrial wastewater and water purification from available resources. In this study, we present the simulation methodology and the analysis of a Reverse Osmosis (RO) membrane under various pressure conditions using the Material Point Method (MPM). In contrast to other numerical methods, MPM solves the continuum governing equations on material points in a Lagrangian framework. The method does not require a grid connecting the material points hence making it suitable to simulate large deformations during membrane compaction. The time integration is carried out using the explicit Euler method, while the spatial discretization is performed using linear or cubic-spline shape functions. A series of planar images containing detailed pore structures obtained from X-ray tomography experiments is converted to a three-dimensional collection of material points to simulate the membrane. Compressive loads are applied to the top layer of the membrane to simulate the experiments. The membrane deformation and pore size distribution before and after load application are reported and compared with the experimental measurements. The presentation discusses the numerical methods used, the performance of the solver on high-performance computing machines, and the results of membrane compaction in detail.

ENGINEERING,MATHEMATICS AND COMPUTING↗
DOE OSTI2014

MHD simulation of RF current drive in MST

Auxiliary heating and current drive using RF waves such as the electron Bernstein wave (EBW) promises to advance the performance of the reversed field pinch (RFP). In previous computational work [1], a hypothetical edge-localized current drive is shown to suppress the tearing activity which governs the macroscopic transport properties of the RFP. The ideal conditions for tearing stabilization include a reduced toroidal induction, and precise width and radial position of the Gaussian-shaped external current drive. In support of the EBW experiment on the Madison Symmetric Torus, an integrated modeling scheme now incorporates ray tracing and Fokker-Plank predictions of auxiliary current into single fluid MHD. Simulations at low Lundquist number (S ∼ 10{sup 4}) generally agree with the previous work; significantly more burdensome simulations at MST-like Lundquist number (S ∼ 3×10{sup 6}) show unexpected results. The effect on nonlinearly saturated current profile by a particular RF-driven external force decreases in magnitude and widens considerably as the Lundquist number increases toward experimental values. Simulations reproduce the periodic current profile relaxation events observed in experiment (sawteeth) in the absence of current profile control. Reduction of the tearing mode amplitudes is still observable; however, reduction is limited to periods between the large bursts of magnetic activity at each sawtooth. The sawtoothing pattern persists with up to 10 MW of externally applied RF power. Periods with prolonged low tearing amplitude are predicted with a combination of external current drive and a reduced toroidal loop voltage, consistent with previous conclusions. Finally, the resistivity profile is observed to have a strong effect on the optimal externally driven current profile for mode stabilization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Development of a Techno-Economic Analysis Framework for a Solar Thermochemical Fuel Production Process

Synthetic liquid fuels can provide a drop-in substitute for fossil-based fuels in sectors such as aviation and maritime, where electrification is not a viable option due to the need for high specific energy density. However, for these alternative fuels to be adopted at a commercial scale, their price must be competitive compared to their fossil-based counterparts. The reverse water-gas shift (RWGS) reaction offers a promising pathway, using hydrogen (sourced from electrolysis) and carbon dioxide as the feed and reacting to produce syngas - a mixture of H2 and CO at a specific ratio. Syngas is a useful precursor that can be converted into fuels and chemicals via known downstream processes, such as liquid transportation fuels via Fischer-Tropsch (FT) synthesis. The RWGS reaction is currently not applied in commercial scale, unlike the rest of the components in the process chain (electrolyzers and syngas-to-fuel synthesis units). The RWGS reaction poses several challenges due to its restrictive thermodynamics. Being an equimolar reaction, high temperatures and a large excess of H2 are needed to achieve reasonable CO2 conversion at equilibrium. This has detrimental effects on practical process implementation and the quality of syngas that can be produced, with direct effect on the energy and capital requirements, as well as the need for expensive downstream separation. In this work, we are proposing to develop a new concentrating solar thermal (CST) compatible RWGS reactor, performing the reaction in a 2-step chemical looping process using metal oxide at a temperature range of 600-800 degrees Celsius. By decoupling the reactor from the solar receiver, the Generation 3 (Gen3) CST technology could be utilized, together with its proposed thermal energy storage (TES) technology, benefitting from a good match to the required temperatures. CST technology is a viable option for supplying the heat that could be rapidly deployed in scale, thus being a good match to the gas-to-liquid (GTL) process which requires a large minimal scale to be commercially viable. The integration of TES with CST also allows operating the plant at large annual capacity factors and avoids multiple shutdown/startup cycles, thus fitting into the steady-state operation mode that most GTL processes require. The main innovation in the proposed design hinges on a countercurrent reaction design using a packed bed reactor. In 2019 Metcalfe et al. showed the benefits of countercurrent species exchange could be realized in a redox chemical-looping processes, by storing the favorable countercurrent chemical potential profiles in a packed bed of non-stoichiometric oxide. Metcalfe et al. applied this breakthrough concept to the WGS reaction, which is conventionally a co-feed catalytic process, showing a dramatic improvement. Bulfin et al. (2023) performed a similar proof-of-concept demonstration for the RWGS reaction using CeO2, achieving cumulative and peak CO2 conversions of 88% and 95%, respectively, compared to a thermodynamic limit of 58% for the co-feed catalytic process at the same conditions. In our new REGENLOOP project, we are developing a reactor prototype from the heat-exchange packed bed reactor-type, a commonly used reactor in the chemical industry. The endothermic heat of reduction will be supplied to the reactor using CST, while the same heat transfer fluid (HTF) mechanism will be used to extract the exothermic heat of oxidation. An array of multiple reactors is used to supply constant high-purity CO stream, that is then mixed with H2 from electrolysis to produce a high-purity syngas at the required composition. By removing the CO-CO2 separation after the RWGS process, significant energy and cost reduction can be achieved. A physics-based TEA framework is currently being developed, covering all the major plant processes, from the solar collection through storage, chemical looping RWGS, GTL, and auxiliary unit operations, up to the liquid hydrocarbon product. This modeling framework will utilize reduced-order models for the chemical looping RWGS and TES, CST modeling using SolarPILOT, and Aspen Plus for the GTL. By using this combined physics-based approach, the effects of design/operating parameters on the performance and cost can be elucidated. In our presentation, the modeling framework will be presented in detail, including preliminary cost predictions of using this plant configuration under a few selected relevant case studies. This study will be used to identify the major cost drivers, informing further system design and optimization needed to chart the way for a commercially viable pathway.

14 SOLAR ENERGY↗
DOE OSTI2020

Fermionic Finite-Group Gauge Theories and Interacting Symmetric/Crystalline Orders via Cobordisms

We formulate a family of spin Topological Quantum Field Theories (spin-TQFTs) as fermionic generalization of bosonic Dijkgraaf–Witten TQFTs. They are obtained by gauging G-equivariant invertible spin-TQFTs, or, in physics language, gauging the interacting fermionic Symmetry Protected Topological states (SPTs) with a finite group G symmetry. We use the fact that the torsion part of the classification is given by Pontryagin duals to spin-bordism groups of the classifying space BG. We also consider unoriented analogues, that is G-equivariant invertible pin ± -TQFTs (fermionic time-reversal-SPTs) and their gauging. We compute these groups for various examples of abelian G using Adams spectral sequence and describe all corresponding TQFTs via certain bordism invariants in 3, 4 and other dimensions. This gives explicit formulas for the partition functions of spin-TQFTs on closed manifolds with possible extended operators inserted. The results also provide explicit classification of ’t Hooft anomalies of fermionic QFTs with finite abelian group symmetries in one dimension lower. We construct new anomalous boundary spin-TQFTs (surface fermionic topological orders). Finally, we explore SPT and symmetry enriched topologically (SET) ordered states, and crystalline SPTs protected by space-group (e.g. translation Z) or point-group (e.g. reflection, inversion or rotation C m ) symmetries, via the layer-stacking construction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A reduced-order model of concentration polarization in reverse osmosis systems with feed spacers

Feed spacers in reverse osmosis systems generate complex fluid flows that limit computational fluid dynamics (CFD) simulations to small length and time scales. That limits our ability to simulate mineral scaling and other membrane fouling phenomena, which occur over longer length and time scales. Thus motivated, we develop a reduced model that replaces the CFD simulation of the velocity field with an analytical model that mimics spacers. This focuses the remaining numerical effort on simulating the advection–diffusion equation governing solute transport. We motivate and validate the model with CFD simulations and bench-scale experiments of spacer filaments in three different arrangements, including cases of unsteady vortex shedding. We show that the model produces a roughly 10,000-fold speedup compared to CFD, and accurately reproduces CFD predictions of not only the average and maximum concentrations, but also the local concentration distribution along the membrane. Here, we also demonstrate the model for simulating a feed channel with a length-to-height ratio of 200. The model provides a simple testbed for exploratory studies of multispecies transport, precipitation, and membrane fouling phenomena for which simulating spacers is often prohibitive.

Computational fluid dynamics↗
DOE OSTI2026

Spectrally accurate, reverse-mode differentiable bounce-averaging algorithm and its applications

We present a fast, spectrally (exponentially) accurate, automatically differentiable bounce-averaging algorithm that is used to simplify kinetic models. Using this algorithm, implemented in the DESC stellarator optimisation suite, we can perform efficient optimisation of many objectives to improve stellarator performance, such as the effective ripple 𝜖 eff metric for the neoclassical transport coefficient in the low collisionality regime and proxies for energetic particle confinement. For the first time, we optimise a finite-beta stellarator to directly reduce neoclassical ripple transport using reverse-mode differentiation. This ensures the computational cost of differentiation is independent of the number of controllable parameters.

fusion plasma↗
DOE OSTI2026

Electrolyte-Dependent, “Microscopically Irreversible” H-Atom Transfer Kinetics of Ce-Based Metal–Organic Framework, Ce-MOF-808

Redox reactions at the interface of metal oxides and protic electrolytes almost always involve protons and electrons in equal amounts. Given the stoichiometry, these proton-coupled electron transfer (PCET) reactions are thermochemically equivalent to net H-atom transfer (HAT) reactions. The correlation between the chemical nature of solid catalysts and HAT kinetics has been employed for decades as the design principle for energy-relevant reactions (e.g., reactions of 2H + /H 2 ). More recently, chemists have experimentally determined that a change in liquid electrolytes that alters the microenvironment at the redox-active sites has an equally profound impact on electrocatalysis involving PCET/HAT. Yet, precise correlations between the chemical nature of electrolytes and the PCET kinetics are, to date, rare in the literature. Herein, we report our findings using the Ce-based metal−organic framework, Ce-MOF-808, as a model system. Each Ce 6 (μ 3 −O) 4 (μ 3 − OH) 4 (OH) 6 (H 2 O) 6 node of this MOF undergoes a 1H + /1e − redox reaction. Using chronoamperometry and the Cottrell analysis, we have determined that the PCET hopping kinetics within the pores of Ce-MOF-808 can change by orders of magnitude by altering the buffer species and the proton activity of the electrolyte. Furthermore, in all buffers, reductive reactions were ∼3−10 times faster in kinetics than the reverse oxidative reaction with the same electrochemical driving force, suggesting that the system, at first glance, violates the principle of microscopic reversibility. Isothermal titration calorimetry (ITC) and computational simulations corroborated that the buffer-node binding thermodynamics are quite distinct, depending on the chemical nature of the buffer and the oxidation state of the node. Together, these results suggest that the substrate and the product during the oxidative vs reductive reaction of Ce-MOF-808 are chemically different species, which explains the apparent ‘microscopic irreversibility.’ Thus, the rational modulation of electrolytes can dramatically enhance PCET kinetics, even though the solid electrodes remain identical. Implications of these findings are contrasted with the electrochemical/electrocatalytic behavior of other redox-active MOFs, heterogeneous catalysts, and enzymatic systems at the solid−liquid interface.

Ce-based MOF↗
DOE OSTI2011

EVOLUTION OF SPINNING AND BRAIDING HELICITY FLUXES IN SOLAR ACTIVE REGION NOAA 10930

The line-of-sight magnetograms from Solar Optical Telescope Narrowband Filter Imager observations of NOAA Active Region 10930 have been used to study the evolution of spinning and braiding helicities over a period of five days starting from 2006 December 9. The north (N) polarity sunspot was the follower and the south (S) polarity sunspot was the leader. The N-polarity sunspot in the active region was rotating in the counterclockwise direction. The rate of rotation was small during the first two days of observations and it increased up to 8 Degree-Sign hr{sup -1} on the third day of the observations. On the fourth and fifth days it remained at 4 Degree-Sign hr{sup -1} with small undulations in its magnitude. The sunspot rotated about 260 Degree-Sign in the last three days. The S-polarity sunspot did not complete more than 20 Degree-Sign in five days. However, it changed its direction of rotation five times over a period of five days and injected both the positive and negative type of spin helicity fluxes into the corona. Through the five days, both the positive and negative sunspot regions injected equal amounts of spin helicity. The total injected helicity is predominantly negative in sign. However, the sign of the spin and braiding helicity fluxes computed over all the regions were reversed from negative to positive five times during the five-day period of observations. The reversal in spinning helicity flux was found before the onset of the X3.4-class flare, too. Though, the rotating sunspot has been observed in this active region, the braiding helicity has contributed more to the total accumulated helicity than the spinning helicity. The accumulated helicity is in excess of -7 Multiplication-Sign 10{sup 43} Mx{sup 2} over a period of five days. Before the X3.4-class flare that occurred on 2006 December 13, the rotation speed and spin helicity flux increased in the S-polarity sunspot. Before the flare, the total injected helicity was larger than -6 Multiplication-Sign 10{sup 43} Mx{sup 2}. The observed reversal in the sign of spinning and braiding helicity fluxes could be the signature of the emergence of a twisted flux tube, which acquires the writhe of an opposite sign. The magnetic cloud associated with the ejected mass has carried about -7 Multiplication-Sign 10{sup 41} Mx{sup 2} of helicity. A time integration of helicity flux of about 1.2 hr integrated backward in time of the observation of the coronal mass ejection is sufficient for this event.

79 ASTRONOMY AND ASTROPHYSICS↗