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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Significance of application timing, formulation, and cytochrome P450 genotypic class on sweet corn response to dicamba

Sweet corn (Zea mays L.) tolerance to dicamba and several other herbicides is due to cytochrome P450 (CYP)-mediated metabolism and is conferred by a single gene (Nsf1). Tolerance varies by CYP genotypic class, with hybrids homozygous for functional CYP (Nsf1Nsf1) being the most tolerant and hybrids homozygous for mutant CYP alleles (nsf1nsf1) being the least tolerant. The herbicide safener cyprosulfamide (CSA) increases tolerance to dicamba by stimulating the expression of several CYPs. However, the extent to which CSA improves the tolerance of different sweet corn CYP genotypic classes to dicamba is poorly understood. Additionally, the effect of growth stage on sweet corn sensitivity to dicamba is inadequately described. The objective of this work was to quantify the significance of application timing, formulation, and CYP genotypic class on sweet corn response to dicamba. Hybrids representing each of the three CYP genotypes (Nsf1Nsf1, Nsf1nsf1, nsf1nsf1), were treated with dicamba or dicamba + CSA at one of three growth stages: V3, V6, or V9. Across all timings, the nsf1nsf1 hybrid was the least tolerant to dicamba, displaying 16% higher crop injury levels 2 wk after treatment and 2,130 kg ha -1 lower ear mass yields compared with the Nsf1Nsf1 hybrid. The V9 growth stage was the most susceptible time for dicamba injury regardless of genotypic class, with 1.89 and 1,750 kg ha -1 lower ear mass yields compared with the V3 and V6 application timings, respectively. The addition of CSA to dicamba V9 applications reduced the injury from dicamba for all three genotypic classes; however, it did not eliminate the injury. The use of Nsf1Nsf1 or Nsf1nsf1 sweet corn hybrids along with herbicide safeners will reduce the frequency and severity of injury from dicamba and other CYP-metabolized herbicides.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Photon detector response function methodology using MCNP and shift hybrid radiation transport code for wide-area contamination assay applications

Here, radiation transport modeling using the Monte Carlo N-Particle (MCNP) radiation transport code and Monte Carlo code, Shift, were employed to model detector responses for a variety of wide-area photon contamination scenarios. In this study, 2" × 2" and 3" × 3" cylindrical NaI(Tl) scintillation detector configurations at source detector-distances of 0.5 cm, 1 cm, 2.54 cm, 10 cm, and 30 cm were modeled. Media of soil, concrete, and steel were evaluated for contamination depths ranging from surface to a depth of an infinite thickness in each medium for photon energies ranging from 20 keV to 3 MeV, which correspond to the energies that current detectors can discern. Monoenergetic photon surface contamination detector responses for each of the media, source–detector distances, and detectors were estimated using MCNP v6.2. Shift was harnessed for improved variance reduction of particle transport in highly attenuating media to obtain average cell fluxes in the two MCNP NaI(Tl) scintillation detector configurations. Average cell flux values in Shift were coupled with detector responses from MCNP to convert average cell flux in a void to energy distribution of pulses in the NaI(Tl) scintillation detector crystal of interest. An optimized detector response function methodology was developed by coupling the MCNP radiation transport method with the Consistent Adjoint Driven Importance Sampling (CADIS) hybrid radiation transport method built into Shift to significantly decrease the runtime of thousands of MCNP pulse height simulations. The methodology may be utilized to quickly and accurately facilitate the assessment of a broad range of wide-area environmental contamination assay and decommissioning cleanup applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Hybrid magnon-phonon localization enhances function near ferroic glassy states

Ferroic materials on the verge of forming ferroic glasses exhibit heightened functionality that is often attributed to competing long- and short-range correlations. However, the physics underlying these enhancements is not well understood. The Ni 45 Co 5 Mn 36.6 In 13.4 Heusler alloy is on the edge of forming both spin and strain glasses and exhibits magnetic field–induced shape memory and large magnetocaloric effects, making it a candidate for multicaloric cooling applications. We show using neutron scattering that localized magnon-phonon hybrid modes, which are inherently spread across reciprocal space, act as a bridge between phonons and magnons and result in substantial magnetic field–induced shifts in the phonons, triple the caloric response, and alter phase stability. We attribute these modes to the localization of phonons and magnons by antiphase boundaries coupled to magnetic domains. Because the interplay between short- and long-range correlations is common near ferroic glassy states, our work provides general insights on how glassiness enhances function.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations

The quasiparticle band structure can be properly described by Hedin's GW approximation (GW), at a high computational cost. For band gaps, semilocal density functionals up to the generalized gradient approximation (GGA) level cannot compete with the accuracy of hybrid-based approximations or GW. Meta-GGA density functionals with a strong dependence on the kinetic energy density ingredient can potentially give wider band gaps compared with GGAs. The recent TASK meta-GGA density functional from Aschebrock and Kümmel [ Phys. Rev. Research 1 , 033082 (2019) ], is constructed with an enhanced nonlocality in the generalized Kohn-Sham scheme and therefore harbors great opportunities for band gap prediction. Although this approximation was found to yield excellent band gaps of bulk solids, this accuracy cannot be straightforwardly transferred to low-dimensional materials. Additionally, the reduced screening of these materials results in larger band gaps compared with their bulk counterparts, as an additional barrier to overcome. In this paper we demonstrate how the alteration of this functional affects the band gaps of monolayers and nanoribbons and present accurate band gaps competing with the revised Heyd-Scuseria-Ernzerhof (HSE06) approximation. In order to achieve this goal, we have modified the TASK functional (a) by changing the tight upper bound for one- or two-electron systems ( h X 0 ) from 1.174 to 1.29 and (b) by changing the limit of the interpolation function f X ( α → ∞ ) of the TASK functional that interpolates the exchange enhancement factor F X ( s , α ) from α = 0 to 1. The resulting modified TASK (mTASK) was tested for various materials from three dimensions to two dimensions to one dimension (nanoribbons) and was compared with the results of the higher-level hybrid functional HSE06 or with the G 0 W 0 approximation within many-body perturbation theory. We find that mTASK systematically improves the band gaps and band structures of two-dimensional (2D) and 1D systems, without significantly affecting the accuracy of the original TASK for the bulk 3D materials, when compared with the Perdew-Burke-Ernzerhof (PBE) GGA and the strongly constrained and appropriately normed (SCAN) meta-GGA. We further demonstrate the applicability of mTASK by assessing the band structures of transition metal dichalcogenide nanoribbons with respect to various bending curvatures.

36 MATERIALS SCIENCE↗
NASA NTRS2009

Hybrid diversity method utilizing adaptive diversity function for recovering unknown aberrations in an optical system

A method of recovering unknown aberrations in an optical system includes collecting intensity data produced by the optical system, generating an initial estimate of a phase of the optical system, iteratively performing a phase retrieval on the intensity data to generate a phase estimate using an initial diversity function corresponding to the intensity data, generating a phase map from the phase retrieval phase estimate, decomposing the phase map to generate a decomposition vector, generating an updated diversity function by combining the initial diversity function with the decomposition vector, generating an updated estimate of the phase of the optical system by removing the initial diversity function from the phase map. The method may further include repeating the process beginning with iteratively performing a phase retrieval on the intensity data using the updated estimate of the phase of the optical system in place of the initial estimate of the phase of the optical system, and using the updated diversity function in place of the initial diversity function, until a predetermined convergence is achieved.

Dean, Bruce H.↗
NASA NTRS2005

HYBRID NEURAL NETWORK AND SUPPORT VECTOR MACHINE METHOD FOR OPTIMIZATION

System and method for optimization of a design associated with a response function, using a hybrid neural net and support vector machine (NN/SVM) analysis to minimize or maximize an objective function, optionally subject to one or more constraints. As a first example, the NN/SVM analysis is applied iteratively to design of an aerodynamic component, such as an airfoil shape, where the objective function measures deviation from a target pressure distribution on the perimeter of the aerodynamic component. As a second example, the NN/SVM analysis is applied to data classification of a sequence of data points in a multidimensional space. The NN/SVM analysis is also applied to data regression.

Rai, Man Mohan↗
NASA NTRS2007

Hybrid Neural Network and Support Vector Machine Method for Optimization

System and method for optimization of a design associated with a response function, using a hybrid neural net and support vector machine (NN/SVM) analysis to minimize or maximize an objective function, optionally subject to one or more constraints. As a first example, the NN/SVM analysis is applied iteratively to design of an aerodynamic component, such as an airfoil shape, where the objective function measures deviation from a target pressure distribution on the perimeter of the aerodynamic component. As a second example, the NN/SVM analysis is applied to data classification of a sequence of data points in a multidimensional space. The NN/SVM analysis is also applied to data regression.

Rai, Man Mohan↗
NASA NTRS1974

Function generation subprograms for use in digital simulations

Function generation subprograms were developed for handling functions of one variable and two types of functions of two variables. These subprograms can be used in any digital or hybrid simulation requiring function generation. Use of these programs can often lower overall program execution time.

Hart, C. E.↗
NASA NTRS1994

Development of a Solid State Power Switch for the Cassini Spacecraft

The Cassini spacecraft uses a new hybrid device to replace the load switching relays used on previous missions. These hybrid devices provide additional functions such as circuit breaking, controlled voltage turn-on and current limiting features. The current limiting function makes an uninterruptible power system possible. This hybrid, the Solid State Power Switch (SSPS), performs the function of connecting the 192 Cassini loads to the spacecraft power bus in response to commands from the Command and Data subsystem.

Cassini↗
DOE OSTI2020

Photodissociation and Theory to Investigate Uranium Oxide Cluster Cations

Uranium oxide cluster cations of the form U n O m + are produced by laser vaporization of a depleted uranium rod in a pulsed supersonic expansion. Ions are mass-analyzed and mass-selected with a time-of-flight spectrometer and studied with UV laser multiphoton dissociation. Cations of the stoichiometry UO 2 (UO 3 ) n + were observed as photofragments from all photodissociated cluster cations. (UO 3 ) n + clusters were also observed to result from dissociation of larger (UO 3 ) n + clusters, with UO 3 neutral as a common leaving group. Electronic structure calculations were used to investigate the stability of the prominent uranium oxide cluster cations using density functional theory (DFT) with the hybrid B3LYP exchange-correlation functional and at the CCSD(T) level and cc-pVnZ-PP basis sets (n = D,T), including diffuse orbitals as computational expense and availability permitted. Clustering energies, relative energies and dissociation energies of the cations are reported. The lowest energy neutral (UO 3 ) n clusters up to n = 3 are rings, n = 4 and 5 are chains with very low energy rings, and n = 6 is 3D. Finally, the lowest energy structures for UO 2 (UO 3 ) n + are composed of uranyl-like UO 2 + units bound by bridging oxygens to other UO 2 2+ units for n = 2 and 3, and for n = 4 a more complex 3D structure is predicted.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

Four-Channel PC/104 MIL-STD-1553 Circuit Board

The mini bus interface card (miniBIC) is the first four-channel electronic circuit board that conforms to MIL-STD-1553 and to the electrical-footprint portion of PC/104. [MIL-STD-1553 is a military standard that encompasses a method of communication and electrical- interface requirements for digital electronic subsystems connected to a data bus. PC/104 is an industry standard for compact, stackable modules that are fully compatible (in architecture, hardware, and software) with personal-computer data- and power-bus circuitry.] Prior to the development of the miniBIC, only one- and two-channel PC/104 MIL-STD-1553 boards were available. To obtain four channels, it was necessary to include at least two boards in a PC/104 stack. In comparison with such a two-board stack, the miniBIC takes up less space, consumes less power, and is more reliable. In addition, the miniBIC includes 32 digital input/output channels. The miniBIC (see figure) contains four MIL-STD-1553B hybrid integrated circuits (ICs), four transformers, a field-programmable gate array (FPGA), and an Industry Standard Architecture (ISA) interface. Each hybrid IC includes a MILSTD-1553 dual transceiver, memory-management circuitry, processor interface logic circuitry, and 64Kx16 bits of shared static random access memory. The memory is used to configure message and data blocks. In addition, 23 16-bit registers are available for (1) configuring the hybrid IC for, and starting it in, various modes of operation; (2) reading the status of the functionality of the hybrid IC; and (3) resetting the hybrid IC to a known state. The miniBIC can operate as a remote terminal, bus controller, or bus monitor. The FPGA provides the chip-select and data-strobe signals needed for operation of the hybrid ICs. The FPGA also receives interruption signals and forwards them to the ISA bus. The ISA interface connects the address, data, and control interfaces of the hybrid ICs to the ISA backplane. Each channel is, in effect, a MIL-STD-1553 interface that can operate either independently of the others or else as a redundant version of one of the others. The transformer in each channel provides electrical isolation between the rest of the miniBIC circuitry and the bus to which that channel is connected.

Cox, Gary L.↗
NASA NTRS1972

Computerized optimal control system design for reusable and expendable boost vehicles.

An optimization technique has been developed which combines the practical features of hybrid simulation of the dynamic system under study with the systematic approach of modern control theory where a mathematically formulated design criterion is optimized by functional minimization. Standard hybrid computer optimization methods using high-speed repetitive simulations and gradient minimization schemes have been extended to obtain time-varying optimal gain schedules and reduce the sensitivity of the optimized system to parameter and disturbance uncertainties. In this approach the performance index is expressed in meaningful engineering terms that reflect the interactions among all major disciplines, structures, control/actuation system design, aerodynamics and performance. The basic optimization technique is developed and its application to current aerospace control problems including the space shuttle is presented in detail. In the discussion of the application, the controllers resulting from the technique are compared with controllers developed by conventional methods. The paper concludes with a review of the advantages and disadvantages of the technique and plans for future applications.

Connor, C. L.↗
DOE OSTI2022

Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin‐flip DFT and Heisenberg effective Hamiltonians

Abstract Low‐energy spectra of single‐molecule magnets (SMMs) are often described by Heisenberg Hamiltonians. Within this formalism, exchange interactions between magnetic centers determine the ground‐state multiplicity and energy separation between the ground and excited states. In this contribution, we extract exchange coupling constants ( J ) for a set of iron (III) binuclear and tetranuclear complexes from all‐electron calculations using non‐collinear spin‐flip time‐dependent density functional theory (NC‐SF‐TDDFT). For 12 binuclear complexes with J ‐values ranging from −6 to −132 cm −1 , our benchmark calculations using the short‐range hybrid ω PBEh functional and 6‐31G(d,p) basis set agree well with the experimentally derived values (mean absolute error of 4.7 cm −1 ). For the tetranuclear SMMs, the computed J constants are within 6 cm −1 from the experimentally derived values. We explore the range of applicability of the Heisenberg model by analyzing bonding patterns in these Fe(III) complexes using natural orbitals (NO), their occupations, and the number of effectively unpaired electrons. The results illustrate the efficiency of the spin‐flip protocol for computing the exchange couplings and the utility of the NO analysis in assessing the validity of effective spin Hamiltonians.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Conceptual design optimization study

The feasibility of applying multilevel functional decomposition and optimization techniques to conceptual design of advanced fighter aircraft was investigated. Applying the functional decomposition techniques to the conceptual design phase appears to be feasible. The initial implementation of the modified design process will optimize wing design variables. A hybrid approach, combining functional decomposition techniques for generation of aerodynamic and mass properties linear sensitivity derivatives with existing techniques for sizing mission performance and optimization, is proposed.

Hollowell, S. J.↗
DOE OSTI2024

Photovoltaic Analysis and Response Support (PARS) Platform for Solar Situational Awareness and Resiliency Services

The project's primary objective is to develop a digital-twin based Photovoltaic (PV) Analysis and Response Support (PARS) platform, which aims to provide real-time situational awareness and optimal response plans. This platform is designed to enhance the performance of hybrid PV systems, making them competitive with or even superior to conventional generation resources. The PARS platform enabled the project team to develop and evaluate an extensive suite of grid support functionalities for the hybrid PV systems to enhance grid performance, across key areas including visibility, dispatchability, security, resilience, and reliability. Given the global push toward achieving 100% clean energy by 2035, there is a significant increase in the integration of inverter-based resources (IBRs) throughout the energy grid. Effectively managing the inherent variability and uncertainty associated with IBRs is crucial for ensuring cost-effectiveness, reliability, and security in both the main grid and islanded microgrids. Constrained to a limited array of IEEE test systems or standard feeder models, traditional IBR modeling struggles to assimilate new field data, accurately reflect system dynamics, and adapt to the evolving energy landscape. In our project, we embraced a Digital Twin (DT) strategy for crafting the PARS platform. A digital twin acts as a precise virtual counterpart of a physical system, built on historical data and continuously honed with real-time insights. This enables the high-fidelity DT to accurately mirror current system operations and forecast future scenarios. Consequently, the PARS platform becomes an ideal environment for testing and refining monitoring, control, power, and energy management algorithms designed to boost hybrid PV system performance. The defining feature of the PARS platform, distinguishing it from other advanced simulation tools, is its exceptional adaptability. This is achieved by employing actual network topologies and utilizing real-time field data for fine-tuning and calibration, ensuring a close emulation of real-world conditions. The project deliverables include: 1) High-fidelity IBR models and tools for real-time parameterization, utilizing real-time field measurements to refine IBR models for enhanced accuracy and performance; 2) Grid-forming and Grid-following capabilities to deliver resilience services, including blackstart, voltage and frequency support, cold-load pick-up, power reserves, and three-phase load balancing across grid-connected and microgrid settings; 3) Machine learning-based forecasting tools and methods for generating synthetic data and topologies, creating diverse and realistic simulation environments for evaluating varied operational scenarios; 4) Advanced microgrid power and energy management algorithms for optimizing the integration and operation of PV, storage, and demand response resources within both feeder and community scales. The power grid data sets are provided by four utility companies in North Carolina and the New York Power Administration. Acting as industry advisors, our industry partners communicated stakeholder needs and regulatory standards to the research teams, aiding technology transfer by incorporating the developed methodologies into their daily operations. This collaboration ensures that the PARS platform, functioning as a power system digital twin, enhances our understanding of IBR dynamic behaviors and enables the development and evaluation of IBR control functions that match or exceed the capabilities of conventional synchronous generators.

14 SOLAR ENERGY↗
NASA NTRS2011

Entanglement in Quantum-Classical Hybrid

It is noted that the phenomenon of entanglement is not a prerogative of quantum systems, but also occurs in other, non-classical systems such as quantum-classical hybrids, and covers the concept of entanglement as a special type of global constraint imposed upon a broad class of dynamical systems. Application of hybrid systems for physics of life, as well as for quantum-inspired computing, has been outlined. In representing the Schroedinger equation in the Madelung form, there is feedback from the Liouville equation to the Hamilton-Jacobi equation in the form of the quantum potential. Preserving the same topology, the innovators replaced the quantum potential with other types of feedback, and investigated the property of these hybrid systems. A function of probability density has been introduced. Non-locality associated with a global geometrical constraint that leads to an entanglement effect was demonstrated. Despite such a quantum like characteristic, the hybrid can be of classical scale and all the measurements can be performed classically. This new emergence of entanglement sheds light on the concept of non-locality in physics.

Zak, Michail↗
DOE OSTI2024

Covalent integration of polymers and porous organic frameworks

Covalent integration of polymers and porous organic frameworks (POFs), including metal-organic frameworks (MOFs), covalent organic frameworks (COFs) and hydrogen-bonded organic frameworks (HOFs), represent a promising strategy for overcoming the existing limitations of traditional porous materials. This integration allows for the combination of the advantages of polymers, i.e., flexibility, processability and chemical versatility etc., and the superiority of POFs, like the structural integrity, tunable porosity and the high surface area, creating a type of hybrid materials. These resulting polymer-POF hybrid materials exhibit enhanced mechanical strength, chemical stability and functional diversity, thus opening up new opportunities for applications across a large variety of fields, such as gas separation, catalysis, biomedical applications, environmental remediation and energy storage. In this review, an overview of synthetic routes and strategies on how to covalently integrate different polymers with various POFs is discussed, especially with a particular focus on methods like polymerization within, on and among POF structures. To investigate the unique properties and functions of these resultant hybrid materials, the characterization techniques, including nuclear magnetic resonance spectroscopy (NMR), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), transmission electron microscopy (TEM) and scanning electron microscopy (SEM), gas adsorption analysis (BET) and computational modeling and machine learning, are also presented. The ability of polymer-POFs to manipulate the pore environments at the molecular level affords these materials a wide range of applications, providing a versatile platform for future advancements in material science. Looking forward, to fully realize the potential of these hybrid materials, the authors highlight the scalability, green synthesis methods, and potential for stimuli-responsive polymer-POF materials as critical areas for future research.

Hossain, Md Amjad↗