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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

"Efficiency Space" - A Framework for Evaluating Joint Evaporation and Runoff Behavior

At the land surface, higher soil moisture levels generally lead to both increased evaporation for a given amount of incoming radiation (increased evaporation efficiency) and increased runoff for a given amount of precipitation (increased runoff efficiency). Evaporation efficiency and runoff efficiency can thus be said to vary with each other, motivating the development of a unique hydroclimatic analysis framework. Using a simple water balance model fitted, in different experiments, with a wide variety of functional forms for evaporation and runoff efficiency, we transform net radiation and precipitation fields into fields of streamflow that can be directly evaluated against observations. The optimal combination of the functional forms the combination that produces the most skillful stream-flow simulations provides an indication for how evaporation and runoff efficiencies vary with each other in nature, a relationship that can be said to define the overall character of land surface hydrological processes, at least to first order. The inferred optimal relationship is represented herein as a curve in efficiency space and should be valuable for the evaluation and development of GCM-based land surface models, which by this measure are often found to be suboptimal.

GCM↗
DOE OSTI2021

Detailed in situ ATR-FTIR spectroscopy study of the early stages of C-S-H formation during hydration of monoclinic C3S

The early stages of tricalcium silicate hydration has been studied by in situ ATR-FTIR spectroscopy. A method for data reduction based on background correction and subtraction of spectra of pure components is presented, which makes it possible to describe the kinetic evolution of the calcium silicate hydrate phase upon hydration with great detail. The results obtained are in full agreement with recently reported, detailed solid-state NMR spectroscopy measurements. As ATR-FTIR spectroscopy does not require any isotope enrichment in order to increase the signal intensities and is a widely available technique, we suggest that our study opens up an avenue towards detailed in situ characterization of hydrating cementitious systems and hydrating systems in general.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Metal–Carbodithioate-Based 3D Semiconducting Metal–Organic Framework: Porous Optoelectronic Material for Energy Conversion

Solar energy conversion requires the working compositions to generate photoinduced charges with high potential and the ability to deliver charges to the catalytic sites and/or external electrode. These two properties are typically at odds with each other and call for new molecular materials with sufficient conjugation to improve charge conductivity but not as much conjugation as to overly compromise the optical band gap. In this work, we developed a semiconducting metal-organic framework (MOF) prepared explicitly through metal-carbodithioate"(-CS 2 ) n M" linkage chemistry, entailing augmented metal-linker electronic communication. The stronger ligand field and higher covalent character of metal-carbodithioate linkages-when combined with spirofluorene-derived organic struts and nickel-(II) ion-based nodes-provided a stable, semiconducting 3D-porous MOF, Spiro-CS 2 Ni. This MOF lacks long-range ordering and is defined by a flexible structure with non-aggregated building units, as suggested by reverse Monte Carlo simulations of the pair distribution function obtained from total scattering experiments. The solvent-removed "closed pore"material recorded a Brunauer-Emmett-Teller area of similar to 400m 2 /g, where the "open pore" form possesses90 wt % solvent-accessible porosity. Electrochemical measurements suggest that Spiro-CS 2 Ni possesses a band gap of 1.57 eV(sigma = 10 -7 S/cm at -1.3 V bias potential),which can be further improved by manipulating the d-electron configuration through an axial coordination (ligand/substrate), the latter of which indicates usefulness as an electrocatalyst and/or a photoelectrocatalyst(upon substrate binding). Transient-absorption spectroscopy reveals a long-lived photo-generated charge-transfer state (τ CR = 6.5 mu s) capable of chemical transformation under a biased voltage. Spiro-CS 2 Ni can endure a compelling range of pH(1-12 for weeks) and hours of electrochemical and photoelectrochemical conditions in the presence of water and organic acids. We believe this work provides crucial design principles for low-density, porous,light-energy-conversion materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin liquid to spin glass crossover in the random quantum Heisenberg magnet

We study quantum SU($M$) spins with all-to-all and random Heisenberg exchange interactions of root-mean-square strength $J$. The $M \rightarrow \infty$ model has a spin liquid ground state with the spinons obeying the equations of the Sachdev-Ye-Kitaev (SYK) model. Numerical studies of the SU(2) model with $S=1/2$ spins show spin glass order in the ground state, but also display SYK spin liquid behavior in the intermediate frequency spin spectrum. We employ a $1/M$ expansion to describe the crossover from fractionalized fermionic spinons to a confining spin glass state with weak spin glass order $q_{EA}$. The SYK spin liquid behavior persists down to a frequency $\omega_\ast \sim J q_{EA}$, and for $\omega < \omega_\ast$, the spectral density is linear in $\omega$, thus quenching the extensive zero temperature entropy of the spin liquid. Furthermore, the linear $\omega$ spectrum is qualitatively similar to that obtained earlier using bosonic spinons for large $q_{EA}$. We argue that the extensive SYK spin liquid entropy is transformed as $T \rightarrow 0$ to an extensive complexity of the spin glass state.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Quantum simulations for strong-field QED

Quantum field theory in the presence of strong background fields contains interesting problems where quantum computers may someday provide a valuable computational resource. In the noisy intermediate-scale quantum era it is useful to consider simpler benchmark problems in order to develop feasible approaches, identify critical limitations of current hardware, and build new simulation tools. Here we perform quantum simulations of strong-field QED (SFQED) in 3 + 1 dimensions, using real-time nonlinear Breit-Wheeler pair production as a prototypical process. The strong-field QED Hamiltonian is derived and truncated in the Furry-Volkov mode expansion, and the interactions relevant for Breit-Wheeler are transformed into a quantum circuit. Quantum simulations of a “null double slit” experiment are found to agree well with classical simulations following the application of various error mitigation strategies, including an asymmetric depolarization algorithm which we develop and adapt to the case of Trotterization with a time-dependent Hamiltonian. We also discuss longer-term goals for the quantum simulation of SFQED. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
NASA NTRS1977

The Crab Nebula pulsar - Variability of dispersion and scattering

Previous investigations of the effects of interstellar dispersion and scattering on the waveform of the Crab Nebula pulsar (NP 0532) have indicated a two-screen scattering model with one variable screen and have revealed anomalously large phase residuals at 73.8 MHz. The relevant observational data are reanalyzed in order to bring the two-screen model into better agreement with theoretical models of the interstellar medium and to account for the low-frequency (73.8-MHz) phase anomaly. The wavenumber spectrum of electron-density fluctuations is examined along with its role in scattering models involving an extended medium, a thick screen, or a thin screen. A tenable unit impulse response is constructed for a thin screen, its Fourier transform is analyzed, and an attempt is made to obtain the dispersion measure and scattering constants for two screens. A comparison of the resulting pulse-broadening and delay effects with other theoretical predictions shows that all observed pulse-broadening and delay effects in NP 0532 are consistent with scattering by a single thick slab of plasma occupying no more than one quarter of the line of sight.

Isaacman, R.↗
NASA NTRS1992

Direct numerical simulation of laminar breakdown in high-speed, axisymmetric boundary layers

Temporal direct numerical simulation of laminar breakdown via subharmonic secondary instability in high-speed axisymmetric boundary layers has been accomplished using a highly accurate, fully explicit algorithm which combines spectral collocation and high-order compact-difference techniques. Numerical test cases confirm that subharmonic secondary instability is confirmed to be a viable path to transition in high-speed boundary-layer flow. Secondary instability is shown to account for peaks in the Reynolds stresses at or near the critical layer which are not possible from the second-mode primary instability alone. Reynolds stresses spatially reconstructed from the temporal model via the Gaster transformation show a 'spreading angle' of about 12 deg, in qualitative agreement with experimental findings. The rate of broadening of the Reynolds stress peak is a strongly nonlinear phenomenon which cannot be reproduced by secondary instability theory.

Pruett, C. D.↗
NASA NTRS1993

Finite difference time domain analysis of chirped dielectric gratings

The finite difference time domain (FDTD) method for solving Maxwell's time-dependent curl equations is accurate, computationally efficient, and straight-forward to implement. Since both time and space derivatives are employed, the propagation of an electromagnetic wave can be treated as an initial-value problem. Second-order central-difference approximations are applied to the space and time derivatives of the electric and magnetic fields providing a discretization of the fields in a volume of space, for a period of time. The solution to this system of equations is stepped through time, thus, simulating the propagation of the incident wave. If the simulation is continued until a steady-state is reached, an appropriate far-field transformation can be applied to the time-domain scattered fields to obtain reflected and transmitted powers. From this information diffraction efficiencies can also be determined. In analyzing the chirped structure, a mesh is applied only to the area immediately around the grating. The size of the mesh is then proportional to the electric size of the grating. Doing this, however, imposes an artificial boundary around the area of interest. An absorbing boundary condition must be applied along the artificial boundary so that the outgoing waves are absorbed as if the boundary were absent. Many such boundary conditions have been developed that give near-perfect absorption. In this analysis, the Mur absorbing boundary conditions are employed. Several grating structures were analyzed using the FDTD method.

Hochmuth, Diane H.↗
NASA NTRS1998

Numerical Simulation of Combustion and Extinction of a Solid Cylinder in Low-Speed Cross Flow

The combustion and extinction behavior of a diffusion flame around a solid fuel cylinder (PMMA) in low-speed forced flow in zero gravity was studied numerically using a quasi-steady gas phase model. This model includes two-dimensional continuity, full Navier Stokes' momentum, energy, and species equations with a one-step overall chemical reaction and second-order finite-rate Arrhenius kinetics. Surface radiation and Arrhenius pyrolysis kinetics are included on the solid fuel surface description and a parameter Phi, representing the percentage of gas-phase conductive heat flux going into the solid, is introduced into the interfacial energy balance boundary condition to complete the description for the quasi-steady gas-phase system. The model was solved numerically using a body-fitted coordinate transformation and the SIMPLE algorithm. The effects of varying freestream velocity and Phi were studied. These parameters have a significant effect on the flame structure and extinction limits. Two flame modes were identified: envelope flame and wake flame. Two kinds of flammability limits were found: quenching at low-flow speeds due to radiative loss and blow-off at high flow speeds due to insufficient gas residence time. A flammability map was constructed showing the existence of maximum Phi above which the solid is not flammable at any freestream velocity.

Tien, J. S.↗
NASA NTRS2001

Benthic Marine Cyanobacterial Mat Ecosystems: Biogeochemistry and Biomarkers

Cyanobacterial mats are complete ecosystems that can include processes of primary production, diagenesis and lithification. Light sustains oxygenic photosynthesis, which in turn provides energy, organic matter and oxygen to the community. Due to both absorption and scattering phenomena, incident light is transformed with depth in the mat, both in intensity and spectral composition. Mobile photo synthesizers optimize their position with respect to this light gradient. When photosynthesis ceases at night, the upper layers of the mat become reduced and sulfidic. Counteracting gradients of oxygen and sulfide combine to provide daily-contrasting environments separated on a scale of a few mm. The functional complexity of mats, coupled with the highly proximal and ordered spatial arrangement of biota, offers the potential for a staggering number of interactions. At a minimum, the products of each functional group of microorganisms affect the other groups both positively and negatively. For example, cyanobacteria generate organic matter (potential substrates) but also oxygen (a toxin for many anaerobes). Anaerobic activity recycles nutrients to the photosynthesizers but also generates potentially toxic sulfide. The combination of benefits and hazards of light, oxygen and sulfide promotes the allocation of the various essential mat processes between light and dark periods, and to various depths in the mat. Observations of mats have produced numerous surprises. For example, obligately anaerobic processes can occur in the presence of abundant oxygen, highly reduced gases are produced in the presence of abundant sulfate, meiofauna thrive at high sulfide concentrations, and the mats' constituent populations respond to environmental changes in complex ways. While photosynthetic bacteria dominate the biomass and productivity of the mat, nonphotosynthetic, anaerobic processes constitute the ultimate biological filter on the ecosystem's emergent biosignatures, including those sedimentary textures, organic compounds, and minerals that enter the fossil record. The ability of cyanobacterial mats to channel abundant solar energy into the creation and maintenance of complex structures and processes has created a multitude of consequences, both for sedimentation and for the early evolution of our biosphere.

DesMarais, David J.↗
NASA NTRS2005

Advanced Vibration Analysis Tool Developed for Robust Engine Rotor Designs

The primary objective of this research program is to develop vibration analysis tools, design tools, and design strategies to significantly improve the safety and robustness of turbine engine rotors. Bladed disks in turbine engines always feature small, random blade-to-blade differences, or mistuning. Mistuning can lead to a dramatic increase in blade forced-response amplitudes and stresses. Ultimately, this results in high-cycle fatigue, which is a major safety and cost concern. In this research program, the necessary steps will be taken to transform a state-of-the-art vibration analysis tool, the Turbo- Reduce forced-response prediction code, into an effective design tool by enhancing and extending the underlying modeling and analysis methods. Furthermore, novel techniques will be developed to assess the safety of a given design. In particular, a procedure will be established for using natural-frequency curve veerings to identify ranges of operating conditions (rotational speeds and engine orders) in which there is a great risk that the rotor blades will suffer high stresses. This work also will aid statistical studies of the forced response by reducing the necessary number of simulations. Finally, new strategies for improving the design of rotors will be pursued.

Min, James B.↗
NASA NTRS2005

Issues and Methods Concerning the Evaluation of Hypersingular and Near-Hypersingular Integrals in BEM Formulations

It is known that higher order modeling of the sources and the geometry in Boundary Element Modeling (BEM) formulations is essential to highly efficient computational electromagnetics. However, in order to achieve the benefits of hIgher order basis and geometry modeling, the singular and near-singular terms arising in BEM formulations must be integrated accurately. In particular, the accurate integration of near-singular terms, which occur when observation points are near but not on source regions of the scattering object, has been considered one of the remaining limitations on the computational efficiency of integral equation methods. The method of singularity subtraction has been used extensively for the evaluation of singular and near-singular terms. Piecewise integration of the source terms in this manner, while manageable for bases of constant and linear orders, becomes unwieldy and prone to error for bases of higher order. Furthermore, we find that the singularity subtraction method is not conducive to object-oriented programming practices, particularly in the context of multiple operators. To extend the capabilities, accuracy, and maintainability of general-purpose codes, the subtraction method is being replaced in favor of the purely numerical quadrature schemes. These schemes employ singularity cancellation methods in which a change of variables is chosen such that the Jacobian of the transformation cancels the singularity. An example of the sin,oularity cancellation approach is the Duffy method, which has two major drawbacks: 1) In the resulting integrand, it produces an angular variation about the singular point that becomes nearly-singular for observation points close to an edge of the parent element, and 2) it appears not to work well when applied to nearly-singular integrals. Recently, the authors have introduced the transformation u(x(prime))= sinh (exp -1) x(prime)/Square root of ((y prime (exp 2))+ z(exp 2) for integrating functions of the form I = Integral of (lambda(r(prime))((e(exp -jkR))/(4 pi R) d D where A (r (prime)) is a vector or scalar basis function and R = Square root of( (x(prime)(exp2) + (y(prime)(exp2) + z(exp 2)) is the distance between source and observation points. This scheme has all of the advantages of the Duffy method while avoiding the disadvantages listed above. In this presentation we will survey similar approaches for handling singular and near-singular terms for kernels with 1/R(exp 2) type behavior, addressing potential pitfalls and offering techniques to efficiently handle special cases.

Fink, P. W.↗
DOE OSTI2021

A combined theoretical and experimental study of the phase coexistence and morphotropic boundaries in ferroelectric-antiferroelectric-antiferrodistortive multiferroics

The physical nature of the ferroelectric (FE), ferrielectric (FEI) and antiferroelectric (AFE) phases, their coexistence and spatial distributions underpins the functionality of antiferrodistortive (AFD) multiferroics in the vicinity of morphotropic phase transitions. In this work, using Landau-Ginzburg-Devonshire (LGD) phenomenology and a semi-microscopic four sublattice model (FSM), we explore the behavior of different AFE, FEI, and FE long-range orderings and their coexistence at the morphotropic phase boundaries in FE-AFE-AFD multiferroics. These theoretical predictions are compared with the experimental observations for dense Bi 1-y R y FeO 3 ceramics, where R is Sm or La atoms with the fraction 0 ≤ y ≤ 0.25, as confirmed by the X-ray diffraction (XRD) and Piezoresponse Force Microscopy (PFM). These complementary measurements were used to study the macroscopic and nanoscopic transformation of the crystal structure with doping. The comparison of the measured and calculated AFE/FE phase fractions demonstrate that the LGD-FSM approach well describes the experimental results obtained by XRD and PFM for Bi 1-y R y FeO 3 . Hence, this combined theoretical and experimental approach provides further insight into the origin of the morphotropic boundaries and coexisting FE and AFE states in model rare-earth doped multiferroics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Fiber optic computing using distributed feedback

Abstract The widespread adoption of machine learning and other matrix intensive computing algorithms has renewed interest in analog optical computing, which has the potential to perform large-scale matrix multiplications with superior energy scaling and lower latency than digital electronics. However, most optical techniques rely on spatial multiplexing, requiring a large number of modulators and detectors, and are typically restricted to performing a single kernel convolution operation per layer. Here, we introduce a fiber-optic computing architecture based on temporal multiplexing and distributed feedback that performs multiple convolutions on the input data in a single layer. Using Rayleigh backscattering in standard single mode fiber, we show that this technique can efficiently apply a series of random nonlinear projections to the input data, facilitating a variety of computing tasks. The approach enables efficient energy scaling with orders of magnitude lower power consumption than GPUs, while maintaining low latency and high data-throughput.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Analysis of multi-electron, multi-step homogeneous catalysis by rotating disc electrode voltammetry: theory, application, and obstacles

Rotating disc electrode (RDE) voltammetry has been widely adopted for the study of heterogenized molecular electrocatalysts for multi-step fuel-forming reactions but this tool has never been comprehensively applied to their homogeneous analogues. Here, the utility and limitations of RDE techniques for mechanistic and kinetic analysis of homogeneous molecular catalysts that mediate multi-electron, multi-substrate redox transformations are explored. Using the ECEC' reaction mechanism as a case study, two theoretical models are derived based on the Nernst diffusion layer model and the Hale transformation. Current–potential curves generated by these computational strategies are compared under a variety of limiting conditions to identify conditions under which the more minimalist Nernst Diffusion Layer approach can be applied. Based on this theoretical treatment, strategies for extracting kinetic information from the plateau current and the foot of the catalytic wave are derived. RDEV is applied to a cobaloxime hydrogen evolution reaction (HER) catalyst under non-aqueous conditions in order to experimentally validate this theoretical framework and explore the feasibility of RDE as a tool for studying homogeneous catalysts. Importantly, analysis of the foot-of-the-wave via this theoretical framework provides rate constants for elementary reaction steps that agree with those extracted from stationary voltammetric methods, supporting the application of RDE to study homogeneous fuel-forming catalysts. Lastly, obstacles encountered during the kinetic analysis of cobaloxime, along with the voltammetric signatures used to diagnose this reactivity, are discussed with the goal of guiding groups working to improve RDE set-ups and help researchers avoid misinterpretation of RDE data.

08 HYDROGEN↗
DOE OSTI2023

Thin film charged particle detectors

Silicon tracking detectors have grown to cover larger surface areas up to hundreds of square meters, and are even taking over other sub-detectors, such as calorimeters. However, further improvements in tracking detector performance are more likely to arise from the ability to make a low mass detector comprised of a high ratio of active sensor to inactive materials, where dead materials include electrical services, cooling, mechanical supports, etc. In addition, the cost and time to build these detectors is currently large. Therefore, advancements in the fundamental technology of tracking detectors may need to look at a more transformative approach that enables extremely large area coverage with minimal dead material and is easier and faster to build. The advancement of thin film fabrication techniques has the potential to revolutionize the next-to-next generation of particle detector experiments. Some thin film deposition techniques have already been developed and widely used in the industry to make LED screens for TVs and monitors. If large area thin film detectors on the order of several square meters can be fabricated with similar performance as current silicon technologies, they could be used in future particle physics experiments. This paper aims to review the key fundamental performance criteria of existing silicon detectors and past research to use thin films and other semi-conductor materials as particle detectors in order to explore the important considerations and challenges to pursue thin film detectors.

Solid state detectors↗