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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 37 records · Page 2

Investigation of near-field jet stability of a single-hole injector based on fast X-ray phase contrast imaging and image feature matching

Fuel spray is very effective in controlling the combustion process to improve engine performance and reduce emissions. Understanding the spray unstability during the injection process is of importance to improve the control of spray characteristics and engine operation. In this study, near-field biodiesel jets were recorded using fast X-ray phase contrast imaging and the flow features inside the jet were extracted using Speeded Up Robust Features (SURF) method. Here, the image similarity by feature matching was successfully used to represent the near-field jet stability. Based on the jet stability, an injection process can be divided into five stages: an unstable stage at needle opening, a partially stable transition stage at needle opening, a stable stage, a stable transition stage at needle closing and an unstable stage at needle closing. The ranges of needle lift for five stages were also determined. The jet unstability is highly related to the cavitation formation and gas purging process during needle opening. The variation of stable jet feature is dependent on the needle lift at needle closing. Higher needle lift for the similar jet feature at needle opening indicates a hydraulic delay compared to needle closing. Finally, the possible reasons of jet feature formation and feature detection used on the multi-hole injector are discussed.

33 ADVANCED PROPULSION SYSTEMS↗

Nonadiabatic Force Matching for Alchemical Free-Energy Estimation

We propose a method to compute free-energy differences from nonadiabatic alchemical transformations by using flow-based generative models. The method, nonadiabatic force matching, hinges on estimating the dissipation along an alchemical switching process in terms of a nonadiabatic force field that can be learned through stochastic flow matching. The learned field can be used in conjunction with short-time trajectory data to evaluate upper and lower bounds on the alchemical free energy that variationally converge to the exact value if the field is optimal. Applying the method to evaluate the alchemical free energy of atomistic models shows that it can substantially reduce the simulation cost of a free-energy estimate at a negligible loss of accuracy when compared with thermodynamic integration.

Computational chemistry↗

Role of radical pairs and feedback in weak radio frequency field effects on biological systems

Highlights: • Zeeman transitions can alter recombination, concentration and subsequent biochemistry. • Fields may also alter energy level matches, changing transition rates. • Regulatory processes are linked feedback loops, influencing how later changes are manifested. • Feedback processes influence whether an effect is an increase, decrease, or no change. • Some possible implications. Radio frequency electromagnetic fields (RF) have been shown to modify the concentrations of the radical O{sub 2}{sup -}, H{sub 2}O{sub 2} and cancer cell growth rates at exposure levels below those that cause significant heating. Reactive oxygen species (ROS) are both signaling molecules and species that can do damage, depending on timing, location and concentrations. We briefly look at some mechanisms by which electromagnetic fields can modify the concentrations of ROS and some of the feedback and repair processes that lead to variable biological effects. Of particular interest are the role of radical pairs and their spins, which have received considerable attention recently, and the role of feedback in biological systems, to which less attention has been paid.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

A Feature-Based Stochastic Permeability of Shale: Part 2–Predicting Field-Scale Permeability

We report that in a recent numerical study, it was demonstrated that characterizing reservoir permeability in terms of rock’s quality, as observed in lab and field, is the most important step before implementing an enhanced oil recovery operation or drilling a new well in a tight formation. In that study, it was shown that permeable features in shale-like organic matter (OM) and fractures were the only regions that allowed some reasonable movement of fluid, whereas inorganic matter (iOM) that occupies larger pore volume with significant saturation of hydrocarbons has extremely low permeability that did not allow any reasonable fluid movement to affect production. That study demonstrated the importance of characterizing reservoir heterogeneity in shale in order to economically exploit the shale resource. This study proposes a method to predict spatially heterogeneous field-scale permeability of shale in terms of natural fractures, and matrix (iOM and OM). The method developed in Part 1 is combined with a history-matching process that uses only readily available information from lab-scale and outcrop (information from geologists) to predict field-scale permeability. The method also ensures consistency between the underlying fracture distribution and optimally matched fracture lengths and their apertures, in addition to accounting for random distribution of fractures and their abundance. Optimized parameters of fracture distribution are used to generate multiple realizations of geological model, and the “best-fitting” (most-likely) permeability scenario is chosen by generating production response of each realization of the geological model and comparing them against the observed field production history. Finally, the novelty of the proposed to predict field-scale permeability is that it uses only readily available information while also ensuring consistency between the underlying fracture distribution and optimally matched fracture lengths and their apertures, in addition to accounting for random distribution of fractures and their abundance.

58 GEOSCIENCES↗

Rotation invariants of vector fields from orthogonal moments

Vector field images are a type of new multidimensional data that appear in many engineering areas. Although the vector fields can be visualized as images, they differ from graylevel and color images in several aspects. In order to analyze them, special methods and algorithms must be originally developed or substantially adapted from the traditional image processing area. Here, we propose a method for the description and matching of vector field patterns under an unknown rotation of the field. Rotation of a vector field is so-called total rotation, where the action is applied not only on the spatial coordinates but also on the field values. Invariants of vector fields with respect to total rotation constructed from orthogonal Gaussian–Hermite moments and Zernike moments are introduced. Their numerical stability is shown to be better than that of the invariants published so far. We demonstrate their usefulness in a real world template matching application of rotated vector fields.

97 MATHEMATICS AND COMPUTING↗

Synthetic aperture radar system design for random field classification

An optimum design study is carried out for synthetic aperture radar systems intended for classifying randomly reflecting areas (such as agricultural fields) characterized by a reflectivity density spectral density. The problem solution is obtained, neglecting interfield interference and assuming areas of known configuration and location, as well as a certain Gaussian signal field property. The optimum processor is nonlinear, but includes conventional matched filter processing. A set of summary design curves is plotted, and is applied to the design of a satellite synthetic aperture radar system.

Harger, R. O.↗

Development and application of setup for ac magnetic field in neutron scattering experiments

We report on a new setup developed for neutron scattering experiments in periodically alternating magnetic fields at the sample position. The assembly consisting of rf generator, amplifier, wide band transformer, and resonance circuit. It allows to generate homogeneous ac magnetic fields over a volume of a few cm{sup 3} and variable within a wide range of amplitudes and frequencies. The applicability of the device is exemplified by ac polarized neutron reflectometry (PNR): a new method established to probe remagnetization kinetics in soft ferromagnetic films. Test experiments with iron films demonstrate that the ac field within the accessible range of frequencies and amplitudes produces a dramatic effect on the PNR signal. This shows that the relevant ac field parameters generated by the device match well with the scales involved in the remagnetization processes. Other possible applications of the rf unit are briefly discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Oil Recovery Prediction for Polymer Flood Field Test of Heavy Oil on Alaska North Slope Via Machine Assisted Reservoir Simulation

The first ever polymer flood field pilot to enhance the recovery of heavy oils on the Alaska North Slope is ongoing. This study constructs and calibrates a reservoir simulation model to predict the oil recovery performance of the pilot through machine-assisted reservoir simulation techniques. To replicate the early water breakthrough observed during waterflooding, transmissibility contrasts are introduced into the simulation model, forcing viscous fingering effects. In the ensuing polymer flood, these transmissibility contrasts are reduced to replicate the restoration of injection conformance during polymer flooding, as indicated by a significant decrease in water cut. Later, transmissibility contrasts are reinstated to replicate a water surge event observed in one of the producing wells during polymer flooding. This event may represent decreased injection conformance from fracture overextension; its anticipated occurrence in the other production well is included in the final forecast. The definition of polymer retention in the simulator incorporates the tailing effect reported in laboratory studies; this tailing effect is useful to the simultaneous history match of producing water cut and produced polymer concentration. The top 24 best-matched simulation models produced at each stage of the history matching process are used to forecast oil recovery. The final forecast clearly demonstrates that polymer flooding significantly increases the heavy oil production for this field pilot compared to waterflooding alone. This exercise displays that a simulation model is only valid for prediction if flow behavior in the reservoir remains consistent with that observed during the history matched period. Critically, this means that a simulation model calibrated for waterflooding may not fully capture the benefits of an enhanced oil recovery process such as polymer flooding. Therefore, caution is recommended in using basic waterflood simulation models to scope potential enhanced oil recovery projects.

Keith, Cody Douglas↗

Embedded Error Bayesian Calibration of Thermal Decomposition of Organic Materials

Organic materials are an attractive choice for structural components due to their light weight and versatility. However, because they decompose at low temperatures relative to tradiational materials they pose a safety risk due to fire and loss of structural integrity. To quantify this risk, analysts use chemical kinetics models to describe the material pyrolysis and oxidation using thermogravimetric analysis. This process requires the calibration of many model parameters to closely match experimental data. Previous efforts in this field have largely been limited to finding a single best-fit set of parameters even though the experimental data may be very noisy. Furthermore the chemical kinetics models are often simplified representations of the true de- composition process. The simplification induces model-form errors that the fitting process cannot capture. In this work we propose a methodology for calibrating decomposition models to thermogravimetric analysis data that accounts for uncertainty in the model-form and experimental data simultaneously. The methodology is applied to the decomposition of a carbon fiber epoxy composite with a three-stage reaction network and Arrhenius kinetics. The results show a good overlap between the model predictions and thermogravimetric analysis data. Uncertainty bounds capture devia- tions of the model from the data. The calibrated parameter distributions are also presented. In conclusion, the distributions may be used in forward propagation of uncertainty in models that leverage this material.

36 MATERIALS SCIENCE↗

Analysis of high field effects on the steady-state current-voltage response of semi-insulating 4H-SiC for photoconductive switch applications

A model-based analysis of the steady-state, current-voltage response of semi-insulating 4H-SiC is carried out to probe the internal mechanisms, focusing on electric field driven effects. Relevant physical processes, such as multiple defects, repulsive potential barriers to electron trapping, band-to-trap impact ionization, and field-dependent detrapping, are comprehensively included. Results of our model match the available experimental data fairly well over orders of magnitude variation in the current density. A number of important parameters are also extracted in the process through comparisons with available data. Finally, based on our analysis, the possible presence of holes in the samples can be discounted up to applied fields as high as ∼275 kV/cm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A fixed tuned broadband matching structure for submillimeter SIS receivers

The authors have designed, fabricated, and tested a quasi-optical submillimeter wave receiver with an Nb/AlO(x)/Nb tunnel junction. This design incorporates a hybrid antenna fed by a planar logarithmic spiral structure in order to couple to the radiation field from the telescope. The novel matching circuit requires several layers of photolithographic processing on top of the actual tunneling device. Computer modeling of the device correctly predicted the measured bandwidth and the characteristic frequencies to within 8 percent. A good match has been obtained from 200 to 475 GHz between the antenna and a relatively large area (1 sq mm) tunnel junction with omega(R(n))C about 2-4. Noise measurements at 318 GHz, 395 GHz, 426 GHz, and 492 GHz yielded uncorrected double sideband receiver noise temperatures of 200 K, 230 K, 220 K, and 500 K, respectively. Using the same optics, coupling efficiencies between the receiver and the Caltech Submillimeter Telescope were found to have values approaching those achieved by the best waveguide-horn-based receiver systems.

Buttgenbach, Thomas H.↗

Proton beam scattering system optimization for clinical and research applications

Purpose: To develop and test a method for optimizing and constructing a dual scattering system in passively scattered proton therapy. Methods: A beam optics optimization algorithm was developed to optimize the thickness of the first scatterer (S1) and the profile (of both the high-Z material and Lexan) of the second scatterer (S2) to deliver a proton beam matching a given set of parameters, including field diameter, fluence, flatness, and symmetry. A new manufacturing process was also tested that allows the contoured second scattering foil to be created much more economically and quickly using Cerrobend casting. Two application-specific scattering systems were developed and tested using both experimental and Monte Carlo techniques to validate the optimization process described. Results: A scattering system was optimized and constructed to deliver large uniform irradiations of radiobiology samples at low dose rates. This system was successfully built and tested using film and ionization chambers. The system delivered a uniform radiation field of 50 cm diameter (to a dose of {+-}7% of the central axis) while the depth dose profile could be tuned to match the specifications of the particular investigator using modulator wheels and range shifters. A second scattering system for intermediate field size (4 cm < diameter < 10 cm) stereotactic radiosurgery and radiation therapy (SRS and SRT) treatments was also developed and tested using GEANT4. This system improved beam efficiency by over 70% compared with existing scattering systems while maintaining field flatness and depth dose profile. In both cases the proton range uniformity across the radiation field was maintained, further indicating the accuracy of the energy loss formalism in the optimization algorithm. Conclusions: The methods described allow for rapid prototyping of scattering foils to meet the demands of both research and clinical beam delivery applications in proton therapy.

60 APPLIED LIFE SCIENCES↗

Extending the Universal One-Loop Effective Action: heavy-light coefficients

The Universal One-Loop Effective Action (UOLEA) is a general expression for the effective action obtained by evaluating in a model-independent way the one-loop expansion of a functional path integral. It can also be used to match UV theories to their low-energy EFTs more efficiently by avoiding redundant steps in the application of functional methods, simplifying the process of obtaining Wilson coefficients of operators up to dimension six. In addition to loops involving only heavy fields, matching may require the inclusion of loops containing both heavy and light particles. Here we use the recently-developed covariant diagram technique to extend the UOLEA to include heavy-light terms which retain the same universal structure as the previously-derived heavy-only terms. As an example of its application, we integrate out a heavy singlet scalar with a linear coupling to a light doublet Higgs. The extension presented here is a first step towards completing the UOLEA to incorporate all possible structures encountered in a covariant derivative expansion of the one-loop path integral.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Effect of non-uniform slow wave structure in a relativistic backward wave oscillator with a resonant reflector

This paper provides a fresh insight into the effect of non-uniform slow wave structure (SWS) used in a relativistic backward wave oscillator (RBWO) with a resonant reflector. Compared with the uniform SWS, the reflection coefficient of the non-uniform SWS is higher, leading to a lower modulating electric field in the resonant reflector and a larger distance to maximize the modulation current. Moreover, for both types of RBWOs, stronger standing-wave field takes place at the rear part of the SWS. In addition, besides Cerenkov effects, the energy conversion process in the RBWO strongly depends on transit time effects. Thus, the matching condition between the distributions of harmonic current and standing wave field provides a profound influence on the beam-wave interaction. In the non-uniform RBWO, the region with a stronger standing wave field corresponds to a higher fundamental harmonic current distribution. Particle-in-cell simulations show that with a diode voltage of 1.02 MV and beam current of 13.2 kA, a microwave power of 4 GW has been obtained, compared to that of 3 GW in the uniform RBWO.

43 PARTICLE ACCELERATORS↗

Effects of heat exchanger tubes on hydrodynamics and CO 2 capture of a sorbent-based fluidized bed reactor

In virtual design and scale up of pilot-scale carbon capture systems, the coupled reactive multiphase flow problem must be solved to predict the adsorber’s performance and capture efficiency under various operation conditions. This paper focuses on the detailed computational fluid dynamics (CFD) modeling of a pilot-scale fluidized bed adsorber equipped with vertical cooling tubes. Multiphase Flow with Interphase eXchanges (MFiX), an open-source multiphase flow CFD solver, is used for the simulations with custom code to simulate the chemical reactions and filtered models to capture the effect of the unresolved details in the coarser mesh for simulations with reasonable simulations and manageable computational effort. Previously developed two filtered models for horizontal cylinder drag, heat transfer, and reaction kinetics have been modified to derive the 2D filtered models representing vertical cylinders in the coarse-grid CFD simulations. The effects of the heat exchanger configurations (i.e., horizontal or vertical) on the adsorber’s hydrodynamics and CO2 capture performance are then examined. The simulation result subsequently is compared and contrasted with another predicted by a one-dimensional three-region process model.

bubbling bed↗

Influence of hydrological, biogeochemical and temperature transients on subsurface carbon fluxes in a flood plain environment

Flood plains play a potentially important role in the global carbon cycle. The accumulation of organic matter in flood plains often induces the formation of chemically reduced groundwater and sediments along riverbanks. In this study, our objective is to evaluate the cumulative impact of such reduced zones, water table fluctuations, and temperature gradients on subsurface carbon fluxes in a flood plain at Rifle, Colorado located along the Colorado River. 2-D coupled variably-saturated, non-isothermal flow and biogeochemical reactive transport modeling was applied to improve our understanding of the abiotic and microbially mediated reactions controlling carbon dynamics at the Rifle site. Model simulations considering only abiotic reactions (thus ignoring microbial reactions) underestimated CO 2 partial pressures observed in the unsaturated zone and severely underestimated inorganic (and overestimated organic) carbon fluxes to the river compared to simulations with biotic pathways. Both model simulations and field observations highlighted the need to include microbial contributions from chemolithoautotrophic processes (e.g., Fe +2 and S -2 oxidation) to match locally-observed high CO 2 concentrations above reduced zones. Observed seasonal variations in CO 2 concentrations in the unsaturated zone could not be reproduced without incorporating temperature gradients in the simulations. Incorporating temperature fluctuations resulted in an increase in the annual groundwater carbon fluxes to the river by 170 % to 3.3 g m -2 d -1 , while including water table variations resulted in an overall decrease in the simulated fluxes. We thus conclude that spatial microbial and redox zonation as well as temporal fluctuations of temperature and water table depth contribute significantly to subsurface carbon fluxes in flood plains and need to be represented appropriately in model simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Augmenting a Simulation Campaign for Hybrid Computer Model and Field Data Experiments

The Kennedy and O’Hagan (KOH) calibration framework uses coupled Gaussian processes (GPs) to meta-model an expensive simulator (first GP), tune its “knobs” (calibration inputs) to best match observations from a real physical/field experiment and correct for any modeling bias (second GP) when predicting under new field conditions (design inputs). There are well-established methods for placement of design inputs for data-efficient planning of a simulation campaign in isolation, that is, without field data: space-filling, or via criterion like minimum integrated mean-squared prediction error (IMSPE). Analogues within the coupled GP KOH framework are mostly absent from the literature. Here, in this study, we derive a closed form IMSPE criterion for sequentially acquiring new simulator data for KOH. We illustrate how acquisitions space-fill in design space, but concentrate in calibration space. Closed form IMSPE precipitates a closed-form gradient for efficient numerical optimization. We demonstrate that our KOH-IMSPE strategy leads to a more efficient simulation campaign on benchmark problems, and conclude with a showcase on an application to equilibrium concentrations of rare earth elements for a liquid–liquid extraction reaction.

97 MATHEMATICS AND COMPUTING↗

Physical principles of microwave assisted magnetic recording

While the basic physics of Microwave Assisted Magnetization Reversal (MAMR) phenomenon is well established both theoretically and experimentally, its application in a practical magnetic recording environment was so far studied primarily with the help of micromagnetic recording models. In this work, we instead attempt to use analytical formulation and simple numerical models to understand the main challenges as well as benefits that are associated with such a system. It appears that the main difference between the previously introduced theory [G. Bertotti et al., Phys. Rev. Lett. 86, 724 (2001); K. Rivkin et al., Appl. Phys. Lett. 92, 153104 (2008); S. Okamoto et al., J. Appl. Phys. 107, 123914 (2010).] and recording environment is that both the RF and DC magnetic fields are applied at a substantial angle to the anisotropy axis. While the associated symmetry breaking prevents one from describing the reversal process explicitly, it is possible to approximate the solutions well enough to satisfactorily match numerical models both in the case of wire and Spin Torque Oscillator generated RF fields. This approach allows for physical explanation of various effects associated with MAMR such as high gradient of writeable anisotropy and reduction of track width, and offers a clear guidance regarding future optimization of MAMR recording.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗