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At least 1,081 records · Page 60

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NASA NTRS2014

Microscale Digital Vacuum Electronic Gates

Systems and methods in accordance with embodiments of the invention implement microscale digital vacuum electronic gates. In one embodiment, a microscale digital vacuum electronic gate includes: a microscale field emitter that can emit electrons and that is a microscale cathode; and a microscale anode; where the microscale field emitter and the microscale anode are disposed within at least a partial vacuum; where the microscale field emitter and the microscale anode are separated by a gap; and where the potential difference between the microscale field emitter and the microscale anode is controllable such that the flow of electrons between the microscale field emitter and the microscale anode is thereby controllable; where when the microscale anode receives a flow of electrons, a first logic state is defined; and where when the microscale anode does not receive a flow of electrons, a second logic state is defined.

Manohara, Harish↗

NASA NTRS1981

Investigations of medium wavelength magnetic anomalies in the eastern Pacific using MAGSAT data

The suitability of using magnetic field measurements obtained by MAGSAT is discussed with regard to resolving the medium wavelength anomaly problem. A procedure for removing the external field component from the measured field is outlined. Various methods of determining crustal magnetizations are examined in light of satellite orbital parameters resulting in the selection of the equivalent source technique for evaluating scalar measurements. A matrix inversion of the vector components is suggested as a method for arriving at a scalar potential representation of the field.

Harrison, C. G. A.↗

DOE OSTI2022

Phase-field modeling of radiation-induced segregation for multicomponent alloys

Structural alloys under irradiation are known to undergo radiation-induced solute redistribution (RIS) at grain boundaries, leading to detrimental effects such as intergranular corrosion and stress-assisted cracking. To better understand the phenomenon, improved models of RIS applicable to concentrated, multicomponent alloys, and mesoscale microstructures are needed. In this talk, we present a novel grand-potential-based phase-field model to account for the complete set of multicomponent kinetic and thermodynamic couplings between atoms and point defects in the Onsager transport equations. We demonstrate multiscale modeling capability by deriving the Onsager coefficient matrix from atomistic-based Kinetic Monte Carlo simulations. Model predictions and validations of RIS and the effect of defect production, grain boundary sink strength and density are demonstrated for a model FCC FeCrNi system. We also demonstrate the novel capability to describe RIS in the presence of equilibrium segregation described using a density-based CALPHAD thermodynamic framework. This modeling approach overcomes certain limitations in conventional RIS models and provides a step closer towards multiscale modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Evidence for autotrophic growth of purple sulfur bacteria using pyrite as electron and sulfur source

ABSTRACT Purple sulfur bacteria (PSB) are capable of anoxygenic photosynthesis via oxidizing reduced sulfur compounds and are considered key drivers of the sulfur cycle in a range of anoxic environments. In this study, we show that Allochromatium vinosum (a PSB species) is capable of autotrophic growth using pyrite as the electron and sulfur source. Comparative growth profile, substrate characterization, and transcriptomic sequencing data provided valuable insight into the molecular mechanisms underlying the bacterial utilization of pyrite and autotrophic growth. Specifically, the pyrite-supported cell cultures (“py”’) demonstrated robust but much slower growth rates and distinct patterns from their sodium sulfide-amended positive controls. Up to ~200-fold upregulation of genes encoding various c - and b -type cytochromes was observed in “py,” pointing to the high relevance of these molecules in scavenging and relaying electrons from pyrite to cytoplasmic metabolisms. Conversely, extensive downregulation of genes related to LH and RC complex components indicates that the electron source may have direct control over the bacterial cells’ photosynthetic activity. In terms of sulfur metabolism, genes encoding periplasmic or membrane-bound proteins (e.g., FccAB and SoxYZ) were largely upregulated, whereas those encoding cytoplasmic proteins (e.g., Dsr and Apr groups) are extensively suppressed. Other notable differentially expressed genes are related to flagella/fimbriae/pilin(+), metal efflux(+), ferrienterochelin(−), and [NiFe] hydrogenases(+). Characterization of the biologically reacted pyrite indicates the presence of polymeric sulfur. These results have, for the first time, put the interplay of PSB and transition metal sulfide chemistry under the spotlight, with the potential to advance multiple fields, including metal and sulfur biogeochemistry, bacterial extracellular electron transfer, and artificial photosynthesis. IMPORTANCE Microbial utilization of solid-phase substrates constitutes a critical area of focus in environmental microbiology, offering valuable insights into microbial metabolic processes and adaptability. Recent advancements in this field have profoundly deepened our knowledge of microbial physiology pertinent to these scenarios and spurred innovations in biosynthesis and energy production. Furthermore, research into interactions between microbes and solid-phase substrates has directly linked microbial activities to the surrounding mineralogical environments, thereby enhancing our understanding of the relevant biogeochemical cycles. Our study represents a significant step forward in this field by demonstrating, for the first time, the autotrophic growth of purple sulfur bacteria using insoluble pyrite (FeS2) as both the electron and sulfur source. The presented comparative growth profiles, substrate characterizations, and transcriptomic sequencing data shed light on the relationships between electron donor types, photosynthetic reaction center activities, and potential extracellular electron transfer in these organisms capable of anoxygenic photosynthesis. Furthermore, the findings of our study may provide new insights into early-Earth biogeochemical evolutions, offering valuable constraints for understanding the environmental conditions and microbial processes that shaped our planet’s history.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1983

The Gravitational Potential Due to Uniform Disks and Rings

The gravitational potential of bodies possessing axial symmetry can be expressed as a power series in distance, with the Legendre polynomials as coefficients. Such series, however, converge so slowly in the neighborhood of thin, uniform disks and rings that too many series terms must be summed in order to obtain an accurate field measure. A gravitational potential expression is presently obtained in closed form, in terms of complete elliptic integrals.

Lass, H.↗

DOE OSTI2026

Deriving effective electrode–ion interactions from free-energy profiles at electrochemical interfaces

Understanding ion adsorption at electrified metal–electrolyte interfaces is essential for accurate modeling of electrochemical systems. Here, in this study, we systematically investigate the free energy profiles of Na + , Cl − , and F − ions at the Au(111)–water interface using enhanced sampling molecular dynamics with both classical force fields and machine-learned interatomic potentials (MLIPs). Our classical metadynamics results reveal a strong dependence of predicted ion adsorption on the Lennard-Jones parameters, highlighting that—without due care—standard mixing rules can lead to qualitatively incorrect descriptions of ion–metal interactions. We present a systematic methodology for tuning the cross term LJ parameters to control adsorption energetics in agreement with more accurate models. As a surrogate for an ab initio model, we employed the recently released Universal Models for Atoms MLIP, which validates classical trends and displays strong specific adsorption for chloride, weak adsorption for fluoride, and no specific adsorption for sodium, in agreement with experimental and theoretical expectations. By integrating molecular-level adsorption free energies into continuum models of the electric double layer, we show that specific ion adsorption substantially alters the interfacial ion population, the potential of zero charge, and the differential capacitance of the system. Our results underscore the critical importance of force field parameterization and advanced interatomic potentials for the predictive modeling of ion-specific effects at electrified interfaces and provide a robust framework for bridging molecular simulations and continuum electrochemical models.

Roncoroni, Fabrice [Lawrence Berkeley National Lab↗

DOE OSTI2021

Dynamic Interconversion of Metal Active Site Ensembles in Zeolite Catalysis

Catalysis science is founded on understanding the structure, number, and reactivity of active sites. Kinetic models that consider active sites to be static and noninteracting entities are routinely successful in describing the behavior of heterogeneous catalysts. Yet, active site ensembles often restructure in response to their external environment and even during steady-state catalytic turnover, sometimes requiring non-mean-field kinetic treatments to describe distance-dependent interactions among sites. Such behavior is being recognized more frequently in modern catalysis research, with the advent of experimental methods to quantify turnover rates with increasing precision, an expanding arsenal of operando characterization tools, and computational descriptions of atomic structure and motion at chemical potentials and timescales increasingly relevant to reaction conditions. This review focuses on dynamic changes to metal active site ensembles on zeolite supports, which are silica-based crystalline materials substituted with Al that generate binding sites for isolated and low-nuclearity metal site ensembles. Metal sites can become solvated and mobilized during reaction, facilitating interactions among sites that change their nuclearity and function. Such intersite communication can be regulated by the zeolite support, resulting in non-single-site and potentially non-mean-field kinetic behavior arising from mechanisms of catalytic action that combine elements of those canonically associated with homogeneous and heterogeneous catalysis. Here, we discuss recent literature examples that document dynamic active site behavior in metal-zeolites and outline methodologies to identify and interpret such behavior. We conclude with our outlook on future research directions to develop this evolving branch of catalysis science and harness it for practical applications.

operando characterization↗

DOE OSTI2020

Evaluating Building Energy Code Compliance and Savings Potential through Large-Scale Simulation with Models Inferred by Field Data

Building energy code compliance is the crucial link between the actual energy savings and the efficiency prescribed in energy codes. A research project aiming to identify opportunities to reduce energy consumption in new single-family residential construction by increasing compliance with the building energy code was conducted in several states of the United States. The study was comprised of three phases: (1) a baseline study to document typical practice and identify opportunities for improvement based on empirical data gathered from the field; (2) an education and training phase targeting the opportunities identified; and (3) a post-study to assess whether a reduction in average state-wide energy use could be achieved following the education and training phase. We proposed a novel methodology based on large-scale building energy simulation inferred by limited field data to assess the performance of a large population of homes. This paper presents the methodology, findings, and results of this study. The state-wide average energy consumption decreased at Phase III from Phase I for five of the seven states involved in the analysis. The measure-level savings potential analysis shows an overall reduction. Overall, the training and education phase plays a recognizable role in improving compliance with building energy codes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS2000

Investigation of Electromagnetic Field Threat to Fuel Tank Wiring of a Transport Aircraft

National Transportation Safety Board investigators have questioned whether an electrical discharge in the Fuel Quantity Indication System (FQIS) may have initiated the TWA-800 center wing tank explosion. Because the FQIS was designed to be incapable of producing such a discharge on its own, attention has been directed to mechanisms of outside electromagnetic influence. To support the investigation, the NASA Langley Research Center was tasked to study the potential for radiated electromagnetic fields from external radio frequency (RF) transmitters and passenger carried portable electronic devices (PEDs) to excite the FQIS enough to cause arcing, sparking or excessive heating within the fuel tank.

Ely, Jay J.↗

DOE OSTI2024

Phase-field modeling for restructuring in the dark zone of high burnup UO 2

This report summarizes the mesoscale modeling work performed in fiscal year 2024 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to capture the microstructural evolution and restructuring observed in the dark regions of high burnup UO 2 nuclear fuel. This is the first attempt to realistically simulate the restructuring behavior observed in different region of a high burnup fuel. We employ a grand-potential based phase-field model to concurrently evaluate the formation of subgrains and growth of fission bubbles within the fuel. A energy-based subgrain formation criteria is introduced to simulate the restructuring process. Effect of different initial conditions and different modeling parameters are studies systematically to capture how each of these parameters influence the characteristics of the restructured fuel. It is observed that the subgrain formation begins around existing fission gas bubbles and then proceeds towards triple junctions, grain boundaries and grain interiors. It is demonstrated that restructuring is influenced by a combination of initial dislocation densities, subgrain formation rate, and temperature. Rate of restructuring increases with increase in fuel temperature. A restructuring bias is observed within the microstructure due to variation in defect accumulation among different grains. Furthermore, bubble sizes and distribution does not have a significant effect on rate of restructuring. The predicted microstructures resembles the characteristics of the restructured regions as observed in experiments. Finally, a correlation is presented that demonstrates the evolution of the restructuring volume fraction as a function of local effective burnup. This work provides a first of its kind restructuring model for darkzone that can be used by BISON for performance prediction of high burnup UO 2 fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Savior curvatons and large non-Gaussianity

Abstract Curvatons are light (compared to the Hubble scale during inflation) spectator fields during inflation that potentially contribute to adiabatic curvature perturbations post-inflation. They can alter CMB observables such as the spectral indexn s , the tensor-to-scalar ratior, and the local non-Gaussianity$$ {f}_{\textrm{NL}}^{\left(\textrm{loc}\right)} $$ f NL loc . We systematically explore the observable space of a curvaton with a quadratic potential. We find that when the underlying inflation model does not satisfy then s androbservational constraints but can be made viable with a significant contribution from what we call a savior curvaton, a large$$ \left|{f}_{\textrm{NL}}^{\left(\textrm{loc}\right)}\right| $$ f NL loc >0.05, such that the model is distinguishable from single-field inflation, is inevitable. On the other hand, when the underlying inflation model already satisfies then s androbservational constraints, so significant curvaton contribution is forbidden, a large$$ \left|{f}_{\textrm{NL}}^{\left(\textrm{loc}\right)}\right| $$ f NL loc >0.05 is possible in the exceptional case when the isocurvature fluctuation in the curvaton fluid is much greater than the global curvature fluctuation.

Physics↗

NASA NTRS1973

Unsteady compressible potential flow around lifting bodies - General theory.

The general theory of potential aerodynamic flow around a lifting body having arbitrary shape and motion is presented. By using the Green's function method, an integral representation for the velocity potential is obtained for both supersonic and subsonic flow. This representation reduces properly to the lifting surface theories as well as to other classical mathematical formulas. Under small perturbation assumption, the potential at any point P in the field depends only upon the values of the potential and its normal derivative on the surface of the body. Hence, if the point P approaches the surface of the body, the representation reduces to an integrodifferential equation relating the potential and its normal derivative on the surface of the body.

Morino, L.↗

NASA NTRS1974

A General Theory of Unsteady Compressible Potential Aerodynamics

The general theory of potential aerodynamic flow around a lifting body having arbitrary shape and motion is presented. By using the Green function method, an integral representation for the potential is obtained for both supersonic and subsonic flow. Under small perturbation assumption, the potential at any point, P, in the field depends only upon the values of the potential and its normal derivative on the surface, sigma, of the body. Hence, if the point P approaches the surface of the body, the representation reduces to an integro-differential equation relating the potential and its normal derivative (which is known from the boundary conditions) on the surface sigma. For the important practical case of small harmonic oscillation around a rest position, the equation reduces to a two-dimensional Fredholm integral equation of second-type. It is shown that this equation reduces properly to the lifting surface theories as well as other classical mathematical formulas. The question of uniqueness is examined and it is shown that, for thin wings, the operator becomes singular as the thickness approaches zero. This fact may yield numerical problems for very thin wings.

Morino, L.↗

NASA NTRS1975

Steady subsonic flow around finite-thickness wings

The general method for analyzing steady subsonic potential aerodynamic flow around a lifting body having arbitrary shape is presented. By using the Green function method, an integral representation for the potential is obtained. Under small perturbation assumption, the potential at any point, P, in the field depends only upon the values of the potential and its normal derivative on the surface of the body. Hence if the point P approaches the surface of the body, the representation reduces to an integral equation relating the potential and its normal derivative (which is known from the boundary conditions) on the surface. The question of uniqueness is examined and it is shown that, for thin wings, the operator becomes singular as the thickness approaches zero. This fact may yield numerical problems for very thin wings. However, numerical results obtained for a rectangular wing in subsonic flow show that these problems do not appear even for thickness ratio tau = .001. Comparison with existing results shows that the proposed method is at least as fast and accurate as the lifting surface theories.

Kuo, C. C.↗

NASA NTRS2003

Biomaterials and Magnetic fields for Cancer Therapy

The field of biomaterials has emerged as an important topic in the purview of NASA s new vision of research activities in the Microgravity Research Division. Although this area has an extensive track record in the medical field as borne out by the routine use of polymeric sutures, implant devices, and prosthetics, novel applications such as tissue engineering, artificial heart valves and controlled drug delivery are beginning to be developed. Besides the medical field, biomaterials and bio-inspired technologies are finding use in a host of emerging interdisciplinary fields such as self-healing and self-assembling structures, biosensors, fuel systems etc. The field of magnetic fluid technology has several potential applications in medicine. One of the emerging fields is the area of controlled drug delivery, which has seen its evolution from the basic oral delivery system to pulmonary to transdermal to direct inoculations. In cancer treatment by chemotherapy for example, targeted and controlled drug delivery has received vast scrutiny and substantial research and development effort, due to the high potency of the drugs involved and the resulting requirement to keep the exposure of the drugs to surrounding healthy tissue to a minimum. The use of magnetic particles in conjunction with a static magnetic field allows smart targeting and retention of the particles at a desired site within the body with the material transport provided by blood perfusion. Once so located, the therapeutical aspect (radiation, chemotherapy, hyperthermia, etc.) of the treatment, now highly localized, can be implemented.

Ramachandran, Narayanan↗

NASA NTRS1982

Relationships between the Birkeland currents, ionospheric currents, and electric fields

Currents and electric fields in the ionosphere are calculated using a global model of the electron density including conjugate coupling along field lines. Incoherent scatter and rocket measurements of high-latitude electron densities are used to derive realistic variations of the polar conductivities as a function of magnetic activity. The Birkeland currents are specified in terms of three indices, and the relationship between these parameters and the auroral electrojets indices is examined along with the polar cap potential and the electric field at lower latitudes. A mathematical model of the currents, electric fields, and energy inputs produced by field aligned currents is developed, which is consistent with and specifiable in terms of measured geophysical indices.

Bleuler, E.↗

DOE OSTI2023

Floquet engineering of strongly driven excitons in monolayer tungsten disulfide

Interactions of quantum materials with strong-laser fields can induce exotic nonequilibrium electronic states. Monolayer transition-metal dichalcogenides, a new class of direct-gap semiconductors with prominent quantum confinement, offer exceptional opportunities toward Floquet engineering of quasiparticle electron-hole states, or excitons. Strong-field driving has a potential to achieve enhanced control of electronic band structure, thus a possibility to open a new realm of exciton light-matter interactions. However, experimental implementation of strongly-driven excitons has so far remained out of reach. Here, we use mid-infrared laser pulses below the optical bandgap to excite monolayer tungsten disulfide up to a field strength of 0.3 V/nm, and demonstrate strong-field light dressing of excitons in the excess of a hundred millielectronvolt. Our high-sensitivity transient absorption spectroscopy further reveals formation of a virtual absorption feature below the 1s-exciton resonance, which is assigned to a light-dressed sideband from the dark 2p-exciton state. Quantum-mechanical simulations substantiate the experimental results and enable us to retrieve real-space movies of the exciton dynamics. Here, this study advances our understanding of the exciton dynamics in the strong-field regime, and showcases the possibility of harnessing ultrafast, strong-field phenomena in device applications of two-dimensional materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

A new field solver for modeling of relativistic particle-laser interactions using the particle-in-cell algorithm

A customized finite-difference field solver for the particle-in-cell (PIC) algorithm that provides higher fidelity for wave-particle interactions in intense electromagnetic waves is presented. In many problems of interest, particles with relativistic energies interact with intense electromagnetic fields that have phase velocities near the speed of light. Numerical errors can arise due to (1) dispersion errors in the phase velocity of the wave, (2) the staggering in time between the electric and magnetic fields and between particle velocity and position and (3) errors in the time derivative in the momentum advance. Errors of the first two kinds are analyzed in detail. It is shown that by using field solvers with different -space operators in Faraday’s and Ampere’s law, the dispersion errors and magnetic field time-staggering errors in the particle pusher can be simultaneously removed for electromagnetic waves moving primarily in a specific direction. Here, the new algorithm was implemented into Osiris by using customized higher-order finite-difference operators. Schemes using the proposed solver in combination with different particle pushers are compared through PIC simulation. It is shown that the use of the new algorithm, together with an analytic particle pusher (assuming constant fields over a time step), can lead to accurate modeling of the motion of a single electron in an intense laser field with normalized vector potentials, eA / mc 2 , exceeding for typical cell sizes and time steps.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗