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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Innovation and reliability of atomic standards for PTTI applications

Innovation and reliability in hyperfine frequency standards and clock systems are discussed. Hyperfine standards are defined as those precision frequency sources and clocks which use a hyperfine atomic transition for frequency control and which have realized significant commercial production and acceptance (cesium, hydrogen, and rubidium atoms). References to other systems such as thallium and ammonia are excluded since these atomic standards have not been commercially exploited in this country.

Kern, R.↗
DOE OSTI2020

Charge transfer rate constants for the carotenoid-porphyrin-C 60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation

Charge transfer rate constants were calculated for the carotenoid-porphyrin-C 60 (CPC 60 ) molecular triad dissolved in explicit tetrahydrofuran. The calculation was based on mapping the all-atom anharmonic Hamiltonian of this system onto the spin-boson Hamiltonian. The mapping was based on discretizing the spectral density from the time correlation function of the donor–acceptor potential energy gap, as obtained from all-atom molecular dynamics simulations. Different spin-boson Hamiltonians were constructed for each of the possible transitions between the three excited electronic states in two different triad conformations. The rate constants of three possible transitions were calculated via the quantum-mechanically exact Fermi’s golden rule (FGR), as well as a progression of more approximate expressions that lead to the classical Marcus expression. The advantage of the spin-boson approach is that once the mapping is established, the quantum-mechanically exact FGR and the hierarchy of approximations are known in closed form. The classical Marcus charge transfer rate constants obtained with the spin-boson Hamiltonians were found to reproduce those obtained from all-atom simulations with the linearized semiclassical approximation, thereby confirming the equivalence of the two approaches for this system. Furthermore, within the spin-boson Hamiltonian, we also found that the quantum-mechanically exact FGR rate constants were significantly enhanced compared to the classical Marcus theory rate constants for two out of three transitions in one of the two conformations under consideration. The results confirm that mapping to the spin-boson model can yield accurate predictions for charge transfer rate constants in a system as complex as CPC 60 dissolved in tetrahydrofuran.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Phononic bus for coherent interfaces between a superconducting quantum processor, spin memory, and photonic quantum networks

A hybrid quantum system performs high-fidelity quantum state transduction between a superconducting (SC) microwave qubit and the ground state spin system of a solid-state artificial atom. This transduction is mediated via an acoustic bus connected by piezoelectric transducers to the SC microwave qubit. For SC circuit qubits and diamond silicon vacancy centers in an optimized phononic cavity, the system can achieve quantum state transduction with fidelity exceeding 99% at a MHz-scale bandwidth. By combining the complementary strengths of SC circuit quantum computing and artificial atoms, the hybrid quantum system provides high-fidelity qubit gates with long-lived quantum memory, high-fidelity measurement, large qubit number, reconfigurable qubit connectivity, and high-fidelity state and gate teleportation through optical quantum networks.

Englund, Dirk Robert↗
NASA NTRS2001

Endo-Fullerene and Doped Diamond Nanocrystallite Based Models of Qubits for Solid-State Quantum Computers

Models of encapsulated 1/2 nuclear spin H-1 and P-31 atoms in fullerene and diamond nanocrystallite, respectively, are proposed and examined with ab-initio local density functional method for possible applications as single quantum bits (qubits) in solid-state quantum computers. A H-1 atom encapsulated in a fully deuterated fullerene, C(sub 20)D(sub 20), forms the first model system and ab-initio calculation shows that H-1 atom is stable in atomic state at the center of the fullerene with a barrier of about 1 eV to escape. A P-31 atom positioned at the center of a diamond nanocrystallite is the second model system, and 3 1P atom is found to be stable at the substitutional site relative to interstitial sites by 15 eV, Vacancy formation energy is 6 eV in diamond so that substitutional P-31 atom will be stable against diffusion during the formation mechanisms within the nanocrystallite. The coupling between the nuclear spin and weakly bound (valance) donor electron coupling in both systems is found to be suitable for single qubit applications, where as the spatial distributions of (valance) donor electron wave functions are found to be preferentially spread along certain lattice directions facilitating two or more qubit applications. The feasibility of the fabrication pathways for both model solid-state qubit systems within practical quantum computers is discussed with in the context of our proposed solid-state qubits.

Park, Seongjun↗
NASA NTRS2006

New Propellants and Cryofuels

The proposed research will investigate the stability and cryogenic properties of solid propellants that are critical to NASA s goal of realizing practical propellant designs for future spacecraft. We will determine the stability and thermal properties of a solid hydrogen-liquid helium stabilizer in a laboratory environment in order to design a practical propellant. In particular, we will explore methods of embedding atomic species and metallic nano-particulates in hydrogen matrices suspended in liquid helium. We will also measure the characteristic lifetimes and diffusion of atomic species in these candidate cryofuels. The most promising large-scale advance in rocket propulsion is the use of atomic propellants; most notably atomic hydrogen stabilized in cryogenic environments, and metallized-gelled liquid hydrogen (MGH) or densified gelled hydrogen (DGH). The new propellants offer very significant improvements over classic liquid oxygen/hydrogen fuels because of two factors: (1) the high energy-release, and (ii) the density increase per unit energy release. These two changes can lead to significant reduced mission costs and increased payload to orbit weight ratios. An achievable 5 to 10 percent improvement in specific impulse for the atomic propellants or MGH fuels can result in a doubling or tripling of system payloads. The high-energy atomic propellants must be stored in a stabilizing medium such as solid hydrogen to inhibit or delay their recombination into molecules. The goal of the proposed research is to determine the stability and thermal properties of the solid hydrogen-liquid helium stabilizer. Magnetic resonance techniques will be used to measure the thermal lifetimes and the diffusive motions of atomic species stored in solid hydrogen grains. The properties of metallic nano-particulates embedded in hydrogen matrices will also be studied and analyzed. Dynamic polarization techniques will be developed to enhance signal/noise ratios in order to be able to detect low concentrations of the introduced species. The required lifetimes for atomic hydrogen and other species can only be realized at low temperatures to avoid recombination of atoms before use as a fuel.

Palasezski, Bryan↗
DOE OSTI2024

Circuit-Based Leakage-to-Erasure Conversion in a Neutral-Atom Quantum Processor

Atom-loss errors are a major limitation of current state-of-the-art neutral-atom quantum computers and pose a significant challenge for scalable systems. In a quantum processor with cesium atoms, we demonstrate proof-of-principle circuit-based conversion of this form of leakage error to erasure errors via leakage-detection units (LDUs), which nondestructively map information about the presence or absence of the qubit onto the state of an ancilla. We benchmark the performance of the LDU using a three-outcome low-loss state-detection method and find that the LDU detects atom-loss errors with approximately 93.4% accuracy, limited by technical imperfections of our apparatus. We further compile and execute a SWAP LDU, wherein the roles of the original data atom and ancilla atom are exchanged under the action of the LDU, providing “free refilling” of atoms in the case of atom loss. This circuit-based leakage-to-erasure error conversion is a critical component of a neutral-atom quantum processor where the quantum information may significantly outlive the lifetime of any individual atom in the quantum register. Finally, we demonstrate that LDUs may also be used to handle other forms of leakage errors where population moves to states outside of the computational subspace.

Chow, Matthew N. H. [Sandia National Laboratories ↗
NASA NTRS1982

The role of the deep space network's frequency and timing system in the detection of gravitational waves

A review of the Deep Space Network's (DSN) use of precision Doppler-tracking of deep space vehicles is presented. The review emphasizes operational and configurational aspects and considers: the projected configuration of the DSN's frequency and timing system; the environment within the DSN provided by the precision atomic standards within the frequency and timing system--both current and projected; and the general requirements placed on the DSN and the frequency and timing system for both the baseline and the nominal gravitational wave experiments. A comment is made concerning the current probability that such an experiment will be carried out in the foreseeable future.

Mankins, J. C.↗
DOE OSTI2021

Deterministic Fast Scrambling with Neutral Atom Arrays

Fast scramblers are dynamical quantum systems that produce many-body entanglement on a timescale that grows logarithmically with the system size N. Here, we propose and investigate a family of deterministic, fast scrambling quantum circuits realizable in near-term experiments with arrays of neutral atoms. We show that three experimental tools—nearest-neighbor Rydberg interactions, global single-qubit rotations, and shuffling operations facilitated by an auxiliary tweezer array—are sufficient to generate nonlocal interaction graphs capable of scrambling quantum information using only O(logN) parallel applications of nearest-neighbor gates. These tools enable direct experimental access to fast scrambling dynamics in a highly controlled and programmable way and can be harnessed to produce highly entangled states with varied applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Resolving atomic transport through iron oxide under irradiation using isotopic tracers

Structural materials in nuclear environments are exposed to complex and harsh conditions, including high temperatures, corrosive solutions, and irradiation. Material stability and likewise degradation are fundamentally controlled by atomic transport mechanisms. Here, we investigate the influence of radiation-induced, non-equilibrium point defect populations on mass transport within model oxide systems using isotopic tracers and atom probe tomography. An isotopically labelled hematite (a-Fe2O3) film was synthesized with 16O- and 18O-rich layers (>30nm and 10 nm, respectively) sequentially deposited via molecular beam epitaxy. One region of the film was proton irradiated to ~0.1 dpa at 450°C, and regions outside the beam spot provided a non-irradiated control of thermal annealing only. 3D APT was used to directly visualize the elemental and O-isotopic redistribution following both thermal and combined thermal and irradiation conditions. Complementary scanning transmission electron microscopy (STEM) was also employed to study the microstructural evolution. Error function fits of the 18O-concentration profiles enabled quantification of diffusion coefficients.

isotopic tracers, diffusion, proton irradiation, h↗
DOE OSTI2023

Optically pumped, radio-frequency atomic magnetometry with feedback stabilization

An optically pumped, atomic magnetometer incorporates a feedback system for stabilizing the magnetic bias field and suppressing unwanted background fields. The magnetic bias field is applied to a vapor cell containing host atoms of two different species, each of which resonates at a different Larmor frequency when both are subjected to the same magnetic bias field. One species provides the feedback for stabilizing the bias field, thereby creating a stabilizing magnetometer portion that nulls out the unwanted background fields. The other species provides magnetic field detection or signal reception on a radio communication frequency of interest, thereby creating a signal magnetometer portion that permits detection of the signal at the radio communication frequency.

Schwindt, Peter D. D.↗
DOE OSTI2020

Accelerated Modeling of Lithium Diffusion in Solid State Electrolytes using Artificial Neural Networks

Abstract Previous efforts to understand structure‐function relationships in high ionic conductivity materials for solid state batteries have predominantly relied on density functional theory (DFT‐) based ab initio molecular dynamics (MD). Such simulations, however, are computationally demanding and cannot be reasonably applied to large systems containing more than a hundred atoms. Here, an artificial neural network (ANN) is trained to accelerate the calculation of high accuracy atomic forces and energies used during such MD simulations. After carefully training a robust ANN for four and five element systems, nearly identical lithium ion diffusivities are obtained for Li 10 GeP 2 S 12 (LGPS) when benchmarking the ANN‐MD results with DFT‐MD. Applying the ANN‐MD approach, the effect of chlorine doping on the lithium diffusivity is calculated in an LGPS‐like structure and it is found that a dopant concentration of 1.3% maximizes ionic conductivity. The optimal concentration balances the competing consequences of effective atomic radii and dielectric constants on lithium diffusion and agrees with the experimental composition. Performing simulations at the resolution necessary to model experimentally relevant and optimal concentrations would be infeasible with traditional DFT‐MD. Systems that require a large number of simulated atoms can be studied more efficiently while maintaining high accuracy with the proposed ANN‐MD framework.

Rao, Karun K.↗
DOE OSTI2022

Towards Ab-Initio Simulations of Crystalline Defects at the Exascale Using Spectral Quadrature Density Functional Theory

Defects in crystalline solids play a crucial role in determining properties of materials at the nano, meso- and macroscales, such as the coalescence of vacancies at the nanoscale to form voids and prismatic dislocation loops or diffusion and segregation of solutes to nucleate precipitates, phase transitions in magnetic materials via disorder and doping. First principles Density Functional Theory (DFT) simulations can provide a detailed understanding of these phenomena. However, the number of atoms needed to correctly simulate these systems is often beyond the reach of many widely used DFT codes. The aim of this article is to discuss recent advances in first principles modeling of crystal defects using the spectral quadrature method. The spectral quadrature method is linear scaling with respect to the number of atoms, permits spatial coarse-graining, and is capable of simulating non-periodic systems embedded in a bulk environment, which allows the application of appropriate boundary conditions for simulations of crystalline defects. In this article, we discuss the state-of-the-art in ab-initio modeling of large metallic systems of the order of several thousand atoms that are suitable for utilizing exascale computing resourses.

36 MATERIALS SCIENCE↗
NASA NTRS2015

Technology Demonstration Missions

Technology Demonstration Missions (TDM) is in its third year of execution, being initiated in 2010 and baselined in January of 2012. There are 11 projects that NASA Marshall Space Flight Center (MSFC) has contributed to or led: (1) Evolvable Cryogenics (eCryo): Cyrogenic Propellant Storage and Transfer Engineering Development Unit (EDU), a proof of manufacturability effort, used to enhance knowledge and technology related to handling cryogenic propellants, specifically liquid hydrogen. (2) Composites for Exploration Upper Stage (CEUS): Design, build, test, and address flight certification of a large composite shell suitable for the second stage of the Space Launch System (SLS). (3) Deep Space Atomic Clock (DSAC): Spaceflight to demo small, low-mass atomic clock that can provide unprecedented stability for deep space navigation. (4) Green Propellant Infusion Mission (GPIM): Demo of high-performance, green propellant propulsion system suitable for Evolved Expendable Launch Vehicle (EELV) Secondary Payload Adapter (ESPA)-class spacecraft. (5) Human Exploration Telerobotics (HET): Demonstrating how telerobotics, remote control of a variety of robotic systems, can take routine, highly repetitive, dangerous or long-duration tasks out of human hands. (6) Laser Communication Relay Demo (LCRD): Demo to advance optical communications technology toward infusion into deep space and near Earth operational systems, while growing the capabilities of industry sources. (7) Low Density Supersonic Decelerator (LDSD): Demo new supersonic inflatable decelerator and parachute technologies to enable Mars landings of larger payloads with greater precision at a wider range of altitudes. (8) Mars Science Laboratory (MSL) Entry Descent & Landing Instrumentation (MEDLI): Demo of embedded sensors embedded in the MSL heat shield, designed to record the heat and atmospheric pressure experienced during the spacecraft's high-speed, hot entry in the Martian atmosphere. (9) Solar Electric Propulsion (SEP): 50-kW class spacecraft that uses flexible blanket solar arrays for power generation and an electric propulsion system that delivers payload from low-Earth orbit to higher orbits. (10) Solar Sail Demonstration (SSD): Demo to validate sail deployment techniques for solar sails that are propelled by the pressure of sunlight. (11) Terrestrial HIAD Orbit Reentry (THOR): Demo of a 3.7-m Hypersonic Inflatable Aerodynamic Decelerator (HIAD) entry vehicle to test second generation aerothermal performance and modeling.

McDougal, John↗
NASA NTRS2004

Concept for Inclusion of Analytical and Computational Capability in Optical Plume Anomaly Detection (OPAD) for Measurement of Neutron Flux

Researchers are working on many fronts to make possible high-speed, automated classification and quantification of constituent materials in numerous environments. NASA's Marshall Space Flight Center has implemented a system for rocket engine flowfields/plumes. The Optical Plume Anomaly Detector (OPAD) system was designed to utilize emission and absorption spectroscopy for monitoring molecular and atomic particulates in gas plasma. An accompanying suite of tools and analytical package designed to utilize information collected by OPAD is known as the Engine Diagnostic Filtering System (EDiFiS). The current combination of these systems identifies atomic and molecular species and quantifies mass loss rates in H2/O2 rocket plumes. Capabilities for real-time processing are being advanced on several fronts, including an effort to hardware encode components of the EDiFiS for health monitoring and management. This paper addresses the OPAD with its tool suites, and discusses what is considered a natural progression: a concept for taking OPAD to the next logical level of high energy physics, incorporating fermion and boson particle analyses in measurement of neutron flux.

Patrick, Marshall Clint↗
NASA NTRS2004

Concept for Inclusion of Analytical and Computational Capability in Optical Plume Anomaly Detection (OPAD) for Measurement of Neutron Flux

Researchers are working on many konts to make possible high speed, automated classification and quantification of constituent materials in numerous environments. NASA's Marshall Space Flight Center has implemented a system for rocket engine flow fields/plumes; the Optical Plume Anomaly Detection (OPAD) system was designed to utilize emission and absorption spectroscopy for monitoring molecular and atomic particulates in gas plasma. An accompanying suite of tools and analytical package designed to utilize information collected by OPAD is known as the Engine Diagnostic Filtering System (EDIFIS). The current combination of these systems identifies atomic and molecular species and quantifies mass loss rates in H2/O2 rocket plumes. Additionally, efforts are being advanced to hardware encode components of the EDIFIS in order to address real-time operational requirements for health monitoring and management. This paper addresses the OPAD with its tool suite, and discusses what is considered a natural progression: a concept for migrating OPAD towards detection of high energy particles, including neutrons and gamma rays. The integration of these tools and capabilities will provide NASA with a systematic approach to monitor space vehicle internal and external environment.

Patrick, M. Clinton↗
DOE OSTI2021

Control of plasmons in doped topological insulators via basis atoms

Collective excitations in topologically nontrivial systems have attracted considerable attention in recent years. Here we study plasmons in the Su-Schrieffer-Heeger model whose low-energy electronic band is only partially filled, such that the system is metallic. Using the random phase approximation, we calculate the intra- and interband polarization functions and determine the bulk plasmonic dispersion from the dielectric function. In this work, we find that the sublattice basis states strongly affect the polarization functions and therefore control the system’s plasmonic excitations. By varying the real-space separation of these local orbitals, one can thus selectively enhance or suppress the plasmonic energies via a tunable trade-off between intraband and interband screening processes. Specifically, this mechanism can be used to stabilize undamped high energy plasmons that have already been reported in related models. We propose scenarios on how to control and observe these effects in experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

The hollow-cathode helium-fluorine laser

It is possible to obtain uniform stable long-pulse excitation (in excess of 100 microsec) in gas mixtures involving highly electronegative constituents (SF6, CCl4, NF3, and I2). Such a system was used to investigate the atomic fluorine laser. In the hollow cathode, lasing on fluorine transitions in the doublet system lasted for up to 80 microsec with no signs of the self-termination as reported previously in positive-column devices. The excitation process of the laser appears to depend heavily upon the fluorine donor utilized. For instance, a single-step process is involved when NF3 is used whereas a two-step process is evident for SF6. The details are discussed.

Crane, J. K.↗
NASA NTRS2003

Integrated Fuel Injection and Mixing System with Impingement Cooling Face

An atomizing injector includes a metering set having a swirl chamber, a spray orifice and one or more feed slots etched in a thin plate. The swirl chamber is etched in a first side of the plate and the spray orifice is etched through a second side to the center of the swirl chamber. Fuel feed slots extend non-radially to the swirl chamber. The injector also includes integral swirler structure. The swirler structure includes a cylindrical air swirler passage, also shaped by etching, through at least one other thin plate. The cylindrical air swirler passage is located in co-axial relation to the spray orifice of the plate of the fuel metering set such that fuel directed through the spray orifice passes through the air swirler passage and swirling air is imparted to the fuel such that the fuel has a swirling component of motion. At least one air feed slot is provided in fluid communication with the air swirler passage and extends in non-radial relation thereto. Air supply passages extend through the plates of the metering set and the swirler structure to feed the air feed slot in each plate of the swirler structure.

Mansour, Adel B.↗