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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efficient and reversible electron bifurcation with either normal or inverted potentials at the bifurcating cofactor

A longstanding mystery surrounding electron bifurcation is the significance of inverted (or “crossed”) reduction potentials of the two-electron bifurcating cofactor. Using a many-electron open-system kinetic model, we show that reversible and efficient electron bifurcation is possible without inverted reduction potentials at the bifurcating site if the absolute value of the difference between first and second reduction potentials of the bifurcating species is sufficiently large (on the scale of the redox-potential span of the high- and low-potential branches). Surprisingly, the case with strong, normally ordered potentials at the bifurcating cofactor can produce electron bifurcation that is just as effective as the case with strongly inverted potentials. Lastly, this finding amplifies the puzzle surrounding the recruitment of inverted potentials in the few well-characterized bifurcating systems of nature and suggests that electron bifurcating cofactors without strongly inverted potentials may yet be discovered.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Modeling of Space Station power system components and their interactions

The authors demonstrate that the functional modeling approach is feasible in modeling large-scale spacecraft power systems such as the Space Station electric power system (EPS). The functional models for the solar array sequential shunt unit and the battery charging/discharging unit are presented. The functional modeling approach has also been applied to simulate other major EPS components. The usefulness of this approach in system-level studies has been demonstrated by incorporating these models into a power system model and simulating the system behavior under various conditions. The simulation results are consistent with those obtained experimentally. With larger time step size and reduced model complexity, the computation time required by the functional modeling approach is short. Functional models are effective in simulation studies of system-level issues, especially for large-scale power systems including many power electronic components.

Tam, Kwa-Sur↗
DOE OSTI2020

Electrode-molecule energy level offsets in a gold-benzene diamine-gold single molecule tunnel junction

One means for describing electron transport across single molecule tunnel junctions (MTJs) is to use density functional theory (DFT) in conjunction with a nonequilibrium Green’s function formalism. This description relies on interpreting solutions to the Kohn–Sham (KS) equations used to solve the DFT problem as quasiparticle (QP) states. Many practical DFT implementations suffer from electron self-interaction errors and an inability to treat charge image potentials for molecules near metal surfaces. For MTJs, the overall effect of these errors is typically manifested as an overestimation of electronic currents. Correcting KS energies for self-interaction and image potential errors results in MTJ current–voltage characteristics in close agreement with measured currents. An alternative transport approach foregoes a QP picture and solves for a many-electron wavefunction on the MTJ subject to open system boundary conditions. It is demonstrated that this many-electron method provides similar results to the corrected QP picture for electronic current. The analysis of these two distinct approaches is related through corrections to a junction’s electronic structure beyond the KS energies for the case of a benzene diamine molecule bonded between two gold electrodes.

Szepieniec, Mark S.↗
DOE OSTI2023

Dynamic mode decomposition for extrapolating nonequilibrium Green's-function dynamics

The Hartree-Fock generalized Kadanoff-Baym ansatz (HF-GKBA) offers an approximate numerical procedure for propagating the two-time nonequilibrium Green's function (NEGF). Here, using the GW self-energy, we compare the HF-GKBA to exact results for a variety of systems with long- and short-range interactions, different two-body interaction strengths, and various nonequilibrium preparations. We find excellent agreement between the HF-GKBA and exact time evolution in models when more realistic long-range exponentially decaying interactions are considered. Furthermore, this agreement persists for long times and for intermediate to strong interaction strengths. In large systems, HF-GKBA becomes prohibitively expensive for long-time evolutions. For this reason, we look at the use of dynamical mode decomposition (DMD) to reconstruct long-time NEGF trajectories from a sample of the initial trajectory. Using no more than 16% of the total time evolution, we reconstruct the total trajectory with high fidelity. Our results show the potential for DMD to be used in conjunction with HF-GKBA to calculate long-time trajectories in large-scale systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Correlated States of Two-dimensional Electron Systems in AlAs Quantum Wells

Two-dimensional (2D) carrier systems confined to modulation-doped semiconductor hetero-structures provide a nearly ideal testing ground for exploring new physical phenomena. At low temperatures and in the presence of a strong magnetic field, these systems exhibit fascinating, often unexpected, many-body states, arising from the strong electron-electron interaction. In our work, we studied various many-body states of different 2D systems. These included 2D electron and hole systems confined to GaAs and also to AlAs quantum wells, including wide quantum wells where the charge distribution is bilayer like. We observed and reported new phenomena in these systems, including new (even-denominator) fractional quantum Hall states, Wigner crystal solid phases, and composite fermion compressible states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Topology and many-body localization

We discuss the problem of localization in two dimensional electron systems in the quantum Hall (single Landau level) regime. After briefly summarizing the well-studied problem of Anderson localization in the non-interacting case, we concentrate on the problem of disorder induced many-body localization (MBL) in the presence of electron–electron interactions using numerical exact diagonalization and eigenvalue spacing statistics as a function of system size. We provide evidence showing that MBL is not attainable in a single Landau level with short range (white noise) disorder in the thermodynamic limit. We then study the interplay of topology and localization, by contrasting the behavior of topological and nontopological subbands arising from a single Landau level in two models — (i) a pair of extremely flat Hofstadter bands with an optimally chosen periodic potential, and (ii) a Landau level with a split-off nontopological impurity band. Both models provide convincing evidence for the strong effect of topology on the feasibility of many-body localization as well as slow dynamics starting from a nonequilibrium state with charge imbalance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2011

Electro-Mechanical Systems for Extreme Space Environments

Exploration beyond low earth orbit presents challenges for hardware that must operate in extreme environments. The current state of the art is to isolate and provide heating for sensitive hardware in order to survive. However, this protection results in penalties of weight and power for the spacecraft. This is particularly true for electro-mechanical based technology such as electronics, actuators and sensors. Especially when considering distributed electronics, many electro-mechanical systems need to be located in appendage type locations, making it much harder to protect from the extreme environments. The purpose of this paper to describe the advances made in the area of developing electro-mechanical technology to survive these environments with minimal protection. The Jet Propulsion Lab (JPL), the Glenn Research Center (GRC), the Langley Research Center (LaRC), and Aeroflex, Inc. over the last few years have worked to develop and test electro-mechanical hardware that will meet the stringent environmental demands of the moon, and which can also be leveraged for other challenging space exploration missions. Prototype actuators and electronics have been built and tested. Brushless DC actuators designed by Aeroflex, Inc have been tested with interface temperatures as low as 14 degrees Kelvin. Testing of the Aeroflex design has shown that a brushless DC motor with a single stage planetary gearbox can operate in low temperature environments for at least 120 million cycles (measured at motor) if long life is considered as part of the design. A motor control distributed electronics concept developed by JPL was built and operated at temperatures as low as -160 C, with many components still operational down to -245 C. Testing identified the components not capable of meeting the low temperature goal of -230 C. This distributed controller is universal in design with the ability to control different types of motors and read many different types of sensors. The controller form factor was designed to surround or be at the actuator. Communication with the slave controllers is accomplished by a bus, thus limiting the number of wires that must be routed to the extremity locations. Efforts have also been made to increase the power capability of these electronics for the ability to power and control actuators up to 2.5KW and still meet the environmental challenges. For commutation and control of the actuator, a resolver was integrated and tested with the actuator. Testing of this resolver demonstrated temperature limitations. Subsequent failure analysis isolated the low temperature failure mechanism and a design solution was negotiated with the manufacturer. Several years of work have resulted in specialized electro-mechanical hardware to meet extreme space exploration environments, a test history that verifies and finds limitations of the designs and a growing knowledge base that can be leveraged by future space exploration missions.

Mojarradi, Mohammad M.↗
DOE OSTI2025

Nonresonant two-photon x-ray absorption in Cu

We present a real-space Green's function theory and calculations of two-photon x-ray absorption (TPA). Our focus is on nonresonant 𝐾-shell TPA in metallic Cu, which has been observed experimentally at intense x-ray free electron laser (XFEL) sources. The theory is based on an independent particle Green's function treatment of the Kramers-Heisenberg equation and an approximation for the sum over nonresonant intermediate states in terms of a static quadrupole transition operator. XFEL effects are modeled by a partially depleted 𝑑 band. This approach is shown to give results for 𝐾-shell TPA in quantitative agreement with XFEL experiment and with a Bethe-Salpeter equation approach. Furthermore, we also briefly discuss many-body corrections and TPA sum rules.

Approximation methods for many-body systems↗
DOE OSTI2026

Is the Matrix Completion of Reduced Density Matrices Unique?

Reduced density matrices are central to describing observables in many-body quantum systems. In electronic structure theory, the two-particle reduced density matrix (2-RDM) suffices to determine the energy and other key properties. Recent work has used matrix completion, leveraging the low-rank structure of RDMs and approximate theoretical models, to reconstruct the 2-RDM from partial data and thus reduce the computational cost. However, matrix completion is, in general, an under-determined problem. Revisiting Rosina’s theorem (Rosina, M. Queen’s Papers on Pure and Applied Mathematics , 1968, No. 11, 369), we here show that the matrix completion is unique under certain conditions, identifying the subset of 2-RDM elements that enables its exact reconstruction from incomplete information. Building on this, we introduce a hybrid quantum–stochastic algorithm that achieves exact matrix completion, demonstrated through applications to the Fermi–Hubbard model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

General-Purpose Electronic System Tests Aircraft

Versatile digital equipment supports research, development, and maintenance. Extended aircraft interrogation and display system is general-purpose assembly of digital electronic equipment on ground for testing of digital electronic systems on advanced aircraft. Many advanced features, including multiple 16-bit microprocessors, pipeline data-flow architecture, advanced operating system, and resident software-development tools. Basic collection of software includes program for handling many types of data and for displays in various formats. User easily extends basic software library. Hardware and software interfaces to subsystems provided by user designed for flexibility in configuration to meet user's requirements.

Glover, Richard D.↗
NASA NTRS2005

3-D Packaging: A Technology Review

Traditional electronics are assembled as a planar arrangement of components on a printed circuit board (PCB) or other type of substrate. These planar assemblies may then be plugged into a motherboard or card cage creating a volume of electronics. This architecture is common in many military and space electronic systems as well as large computer and telecommunications systems and industrial electronics. The individual PCB assemblies can be replaced if defective or for system upgrade. Some applications are constrained by the volume or the shape of the system and are not compatible with the motherboard or card cage architecture. Examples include missiles, camcorders, and digital cameras. In these systems, planar rigid-flex substrates are folded to create complex 3-D shapes. The flex circuit serves the role of motherboard, providing interconnection between the rigid boards. An example of a planar rigid - flex assembly prior to folding is shown. In both architectures, the interconnection is effectively 2-D.

Strickland, Mark↗
NASA NTRS2011

Standards and Specifications for Ground Processing of Space Vehicles: From an Aviation-Based Shuttle Project to Global Application

Proprietary or unique designs and operations are expected early in any industry's development, and often provide a competitive early market advantage. However, there comes a time when a product or industry requires standardization for the whole industry to advance...or survive. For the space industry, that time has come. Here, we will focus on standardization of ground processing for space vehicles and their ground systems. With the retirement of the Space Shuttle, and emergence of a new global space race, affordability and sustainability are more important now than ever. The growing commercialization of the space industry and current global economic environment are driving greater need for efficiencies to save time and money. More RLV's (Reusable Launch Vehicles) are being developed for the gains of reusability not achievable with traditional ELV's (Expendable Launch Vehicles). More crew/passenger vehicles are also being developed. All of this calls for more attention needed for ground processing-repeatedly before launch and after landing/recovery. RLV's should provide more efficiencies than ELV's, as long as MRO (Maintenance, Repair, and Overhaul) is well-planned-even for the unplanned problems. NASA's Space Shuttle is a primary example of an RLV which was supposed to thrive on reusability savings with efficient ground operations, but lessons learned show that costs were (and still are) much greater than expected. International standards and specifications can provide the commonality needed to simplify design and manufacturing as well as to improve safety, quality, maintenance, and operability. There are standards organizations engaged in the space industry, but ground processing is one of the areas least addressed. Challenges are encountered due to various factors often not considered during development. Multiple vehicle elements, sites, customers, and contractors pose various functional and integration difficulties. Resulting technical publication structures and methods are incongruent. Some processing products are still done on paper, some electronic, and many being converted in between. Business systems then are not fully compatible, and paper as well as electronic conversions are time-consuming and costly. NASA and its Shuttle contractors setup rules and systems to handle what has produced over 130 RLV launches, but they have had many challenges. Attempts have been made to apply aviation industry specifications to make the Shuttle more efficient with its ground processing. One efficiency project example was to make a Shuttle Maintenance Manual (SMM) based on the commercial ATA (Air Transport Association of America) Spec 100 for technical publications. This industry standard, along with others, has been a foundation for efficient global MRO of commercial airlines for years. A modified version was also made for some military aircraft. The SMM project found many similarities in Spec 100 which apply to the Shuttle, and room for expansion for space systems/structures not in aircraft. The SMM project team met with the ATA and representatives from NASA's X-33 and X-34 programs to discuss collaboration on a national space standard based on Spec 100. A pilot project was enabled for a subset of Shuttle systems. Full implementation was not yet achieved, X-33 and X-34 were cancelled, and the Shuttles were then designated for retirement. Nonetheless, we can learn from this project how to expand this concept to all space vehicle products. Since then, ATA has joined with ASD (AeroSpace and Defence Industries Association of Europe) and AIA (Aerospace Industries Association) to form a much-enhanced and expanded international specification: Sl000D, International Specification for Technical Publications. It includes air, land, and sea vehicles, missiles, support equipment, ordnance, and communications. It is used by a growing number of countries for commercial and government products. Its modular design is supported by a Common Source Dabase (CSDB), and COTS (commercial off-the-shelf) software is available for production of IETP's (Interactive Electronic Technical Publications). A few space industry products in Europe have begun to apply Sl000D already. Also, there are other related standards/specifications which have global implications. We have an opportunity to adapt Sl000D and possibly other standards for use with space vehicles and ground systems. Sl000D has plenty of flexibility to apply to any product needed. To successfully grow the viability of the space industry, all members, commercial and government, will need to engage cooperatively in developing and applying standards to move toward interoperability. If we leverage and combine the best existing space standards and specifications, develop new ones to address known gaps, and adapt the best applicable features from other industries, we can establish an infrastructure to not only accelerate current development, but also build longevity for a more cohesive international space community.

Ingalls, John↗
DOE OSTI2023

Electronic and Vibrational Coherence in Heterogeneous Electron Transfer (Final Report)

Interfacial electron transfer reactions constitute key physical phenomena central to a variety of energy related transport and conversion processes such as catalysis, photocatalysis, photovoltaics, energy storage, molecular electronics, etc. Heterogeneous material systems like organic/inorganic interfaces are of particular interest because they provide great potential to tailor properties according to application specific requirements. While electron transfer dynamics has been studied intensively in heterogeneous systems many questions remain unanswered. The significance of electronic-vibrational coupling and coherence is one aspect that has yet to be fully explored. The objective of this project is to develop and implement new ultrafast spectroscopic techniques based on pump four-wave mixing spectroscopy (pump-FWM) for studying the dynamics of vibrational coupling and coherence in heterogeneous electron transfer (HET) at molecule/semiconductor interfaces. The implementation of the spectroscopic setup allows to explore different four-wave mixing techniques and thus to identify a suitable approach to study the significance of vibrational as well as electronic coherence in HET.

14 SOLAR ENERGY↗
DOE OSTI2023

Understanding Impacts of Frequency Calculations on Underfrequency Load Shedding

Power system fundamental frequency-dependent protection decisions and control decisions are increasingly common in the distribution system space. Understanding the algorithms used in frequency measurements is critical to understanding the decisions made by the many intelligent electronic devices in the power system. These decisions are critically important for reliability analysis for interconnected power systems as they bear directly on resource planning to mitigate under-frequency conditions that would result in under-frequency load shedding (UFLS). This work aims to improve the understanding of frequency measurement algorithms, evaluate the intelligent electronic devices that use frequency measurements for decision making, and understand the algorithms' direct impact on frequency related decision making. First, this work presents background information on the use of frequency measurements in protection logic, specifically UFLS. Second, the paper presents a relay hardware evaluation test bed used to detect and protect systems from under-frequency events. Finally, the paper presents the dynamic events used to evaluate commercially available, off-the-shelf relay equipment and the results from the relay evaluation.

COMTRADE↗
DOE OSTI2023

Sub-system self-consistency in coupled cluster theory

Here, in this article, we provide numerical evidence indicating that the single-reference coupled-cluster (CC) energies can be calculated alternatively to their copybook definition. We demonstrate that the CC energy can be reconstructed by diagonalizing the effective Hamiltonians describing correlated sub-systems of the many-body system. In the extreme case, we provide numerical evidence that the CC energy can be reproduced through the diagonalization of the effective Hamiltonian describing sub-system composed of a single electron. These properties of the CC formalism can be exploited to design protocols to define effective interactions in sub-systems used as probes to calculate the energy of the entire system and introduce a new type of self-consistency for approximate CC approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Light–matter interaction of a molecule in a dissipative cavity from first principles

Cavity-mediated light–matter coupling can dramatically alter opto-electronic and physico-chemical properties of a molecule. Ab initio theoretical predictions of these systems need to combine non-perturbative, many-body electronic structure theory-based methods with cavity quantum electrodynamics and theories of open-quantum systems. Here, we generalize quantum-electrodynamical density functional theory to account for dissipative dynamics of the cavity and describe coupled cavity–single molecule interactions in the weak-to-strong-coupling regimes. Specifically, to establish this generalized technique, we study excited-state dynamics and spectral responses of benzene and toluene under weak-to-strong light–matter coupling. By tuning the coupling, we achieve cavity-mediated energy transfer between electronically excited states. This generalized ab initio quantum-electrodynamical density functional theory treatment can be naturally extended to describe cavity-mediated interactions in arbitrary electromagnetic environments, accessing correlated light–matter observables and thereby closing the gap between electronic structure theory, quantum optics, and nanophotonics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

Performance of High-Speed PWM Control Chips at Cryogenic Temperatures

The operation of power electronic systems at cryogenic temperatures is anticipated in many NASA space missions such as planetary exploration and deep space probes. In addition to surviving the space hostile environment, electronics capable of low temperature operation would contribute to improving circuit performance, increasing system efficiency, and reducing development and launch costs. As part of the NASA Glenn Low Temperature Electronics Program, several commercial high-speed Pulse Width Modulation (PWM) chips have been characterized in terms of their performance as a function of temperature in the range of 25 to -196 C (liquid nitrogen). These chips ranged in their electrical characteristics, modes of control, packaging options, and applications. The experimental procedures along with the experimental data obtained on the investigated chips are presented and discussed.

Elbuluk, Malik E.↗
NASA NTRS2002

Comprehensive Evaluation of Power Supplies at Cryogenic Temperatures for Deep Space Applications

The operation of power electronic systems at cryogenic temperatures is anticipated in many future space missions such as planetary exploration and deep space probes. In addition to surviving the space hostile environments, electronics capable of low temperature operation would contribute to improving circuit performance, increasing system efficiency, and reducing development and launch costs. DC/DC converters are widely used in space power systems in the areas of power management, conditioning, and control. As part of the on-going Low Temperature Electronics Program at NASA, several commercial-off-the-shelf (COTS) DC/DC converters, with specifications that might fit the requirements of specific future space missions have been selected for investigation at cryogenic temperatures. The converters have been characterized in terms of their performance as a function of temperature in the range of 20 C to - 180 C. These converters ranged in electrical power from 8 W to 13 W, input voltage from 9 V to 72 V and an output voltage of 3.3 V. The experimental set-up and procedures along with the results obtained on the converters' steady state and dynamic characteristics are presented and discussed.

Patterson, Richard L.↗