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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Doping-induced metallicity and coexistence of magnetic subsystems in K2Fe4+xSe5

Electronic structure calculations are used to analyze the electronic and magnetic properties in K2Fe4+xSe5. Fe atoms can be divided into two distinct groups. The x=0 (parent) compound forms an insulating, collinear, local moment phase with high Néel temperature. We show that large biquadratic exchange coupling and exchange-elastic interactions stabilize the magnetic order. For x>0 the additional Fe atoms fill vacancy sites. They form impurity bands for small x, which broaden as x increases. They determine the states at the Fermi level and may be viewed as a magnetic subsystem separate from the host. Spin fluctuations are prevalent because magnetic interactions between the ‘defect’ and the ‘parent’ atoms are relatively weak, while chemical fluctuations are prevalent for low x. Fluctuations of either type lead to the formation of a weakly metallic state. The unusual coexistence of the two magnetic subsystems offers a new perspective as to how superconductivity and strong antiferromagnetism can coexist. We argue that spin fluctuations of the impurity subsystem share common features with the Fe-pnictide superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The complete Heyting algebra of subsystems and contextuality

The finite set of subsystems of a finite quantum system with variables in Z(n), is studied as a Heyting algebra. The physical meaning of the logical connectives is discussed. It is shown that disjunction of subsystems is more general concept than superposition. Consequently, the quantum probabilities related to commuting projectors in the subsystems, are incompatible with associativity of the join in the Heyting algebra, unless if the variables belong to the same chain. This leads to contextuality, which in the present formalism has as contexts, the chains in the Heyting algebra. Logical Bell inequalities, which contain “Heyting factors,” are discussed. The formalism is also applied to the infinite set of all finite quantum systems, which is appropriately enlarged in order to become a complete Heyting algebra.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

An integrated time-of-flight versus residual energy subsystem for a compact dual ion composition experiment for space plasmas

We have developed a novel concept for a Compact Dual Ion Composition Experiment (CoDICE) that simultaneously provides high quality plasma and energetic ion composition measurements over 6 decades in ion energy in a wide variety of space plasma environments. CoDICE measures the two critical ion populations in space plasmas: (1) mass and ionic charge state composition and 3D velocity and angular distributions of ∼10 eV/q–40 keV/q plasma ions—CoDICE-Lo and (2) mass composition, energy spectra, and angular distributions of ∼30 keV–10 MeV energetic ions—CoDICE-Hi. CoDICE uses a common, integrated Time-of-Flight (TOF) versus residual energy (E) subsystem for measuring the two distinct ion populations. This paper describes the CoDICE design concept, and presents results of the laboratory tests of the TOF portion of the TOF vs. E subsystem, focusing specifically on (1) investigation of spill-over and contamination rates on the start and stop microchannel plate (MCP) anodes vs. secondary electron steering and focusing voltages, scanned around their corresponding model-optimized values, (2) TOF measurements and resolution and angular resolution, and (3) cross-contamination of the start and stop MCPs’ singles rates from CoDICE-Lo and -Hi, and (4) energy resolution of avalanche photodiodes near the lower end of the CoDICE-Lo energy range. We also discuss physical effects that could impact the performance of the TOF vs. E subsystem in a flight instrument. Finally, we discuss advantages of the CoDICE design concept by comparing with capabilities and resources of existing flight instruments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Avoiding fractional electrons in subsystem DFT based ab-initio molecular dynamics yields accurate models for liquid water and solvated OH radical

In this work we achieve three milestones: (1) we present a subsystem DFT method capable of running ab-initio molecular dynamics simulations accurately and efficiently. (2) In order to rid the simulations of inter-molecular self-interaction error, we exploit the ability of semilocal frozen density embedding formulation of subsystem DFT to represent the total electron density as a sum of localized subsystem electron densities that are constrained to integrate to a preset, constant number of electrons; the success of the method relies on the fact that employed semilocal nonadditive kinetic energy functionals effectively cancel out errors in semilocal exchange–correlation potentials that are linked to static correlation effects and self-interaction. (3) We demonstrate this concept by simulating liquid water and solvated OH{sup •} radical. While the bulk of our simulations have been performed on a periodic box containing 64 independent water molecules for 52 ps, we also simulated a box containing 256 water molecules for 22 ps. The results show that, provided one employs an accurate nonadditive kinetic energy functional, the dynamics of liquid water and OH{sup •} radical are in semiquantitative agreement with experimental results or higher-level electronic structure calculations. Our assessments are based upon comparisons of radial and angular distribution functions as well as the diffusion coefficient of the liquid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Even-handed subsystem selection in projection-based embedding

Projection-based embedding offers a simple framework for embedding correlated wavefunction methods in density functional theory. Partitioning between the correlated wavefunction and density functional subsystems is performed in the space of localized molecular orbitals. However, during a large geometry change—such as a chemical reaction—the nature of these localized molecular orbitals, as well as their partitioning into the two subsystems, can change dramatically. This can lead to unphysical cusps and even discontinuities in the potential energy surface. In this work, we present an even-handed framework for localized orbital partitioning that ensures consistent subsystems across a set of molecular geometries. We illustrate this problem and the even-handed solution with a simple example of an S N 2 reaction. Applications to a nitrogen umbrella flip in a cobalt-based CO 2 reduction catalyst and to the binding of CO to Cu clusters are presented. In both cases, we find that even-handed partitioning enables chemically accurate embedding with modestly sized embedded regions for systems in which previous partitioning strategies are problematic.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

General framework for quantifying dissipation pathways in open quantum systems. III. Off-diagonal subsystem–bath couplings

This paper extends the previously reported theory of dissipation pathways [C. W. Kim and I. Franco, J. Chem. Phys. 160, 214111 (2024)] to incorporate off-diagonal subsystem–bath coupling, which is often required to model molecular systems where the environment directly influences transitions and couplings between subsystem states. We systematically derive master equations for both population transfer and dissipation into individual bath components, for which we also rigorously prove energy conservation and detailed balance. The approach is based on second-order perturbation theory with respect to the subsystem–bath couplings, whose form is not limited to any specific model. The accuracy of the developed method is tested by applying it to diverse model Hamiltonians involving linearly coupled harmonic oscillator baths and comparing the outcomes against the hierarchical equations of motion (HEOM) method. Overall, our method accurately quantifies the contributions of specific bath components to the overall dissipation while significantly reducing the computational cost compared to numerically exact methods such as HEOM, thus offering a path to examine how vibronic interactions steer non-adiabatic processes in realistic chemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Imaging survey of subsystems in secondary components to nearby southern dwarfs

To improve the statistics of hierarchical multiplicity, secondary components of wide nearby binaries with solar-type primaries were surveyed at the SOAR telescope for evaluating the frequency of subsystems. Images of 17 faint secondaries were obtained with the SOAR Adaptive Module that improved the seeing; one new 0.''2 binary was detected. For all targets, photometry in the g', i', z' bands is given. Another 46 secondaries were observed by speckle interferometry, resolving 7 close subsystems. Adding literature data, the binarity of 95 secondary components is evaluated. We found that the detection-corrected frequency of secondary subsystems with periods in the well-surveyed range from 10{sup 3} to 10{sup 5} days is 0.21 ± 0.06—same as the normal frequency of such binaries among solar-type stars, 0.18. This indicates that wide binaries are unlikely to be produced by dynamical evolution of N-body systems, but are rather formed by fragmentation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Quantum information or entanglement transfer between subsystems

The size of quantum information -- or entanglement -- transfer rates between subsystems is a generic question in problems ranging from decoherence in quantum computation and sensing, to quantum underpinnings of thermodynamics, to the behavior of quantum black holes. We investigate such rates for given couplings between subsystems, for sufficiently random subsystem evolution, and find evidence for a conjectured relation of these rates to the size of the couplings. Finally, this provides a direct connection between entanglement transfer and the microphysical couplings responsible for it.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Area law and universality in the statistics of subsystem energy

We introduce Rényi entropy of a subsystem energy as a natural quantity which closely mimics the behavior of the entanglement entropy and can be defined for all quantum many body systems. In other words, consider a quantum chain in its ground state and then take a subdomain of this system with natural truncated Hamiltonian. Since the total Hamiltonian does not commute with the truncated Hamiltonian, the subsystem can be in one of its eigenenergies with different probabilities. Using the fact that the global energy eigenstates are locally close to diagonal in the local energy eigenbasis, we argue that the Rényi entropy of these probabilities follows an area law for the gapped systems. When the system is at the critical point, the Rényi entropy follows a logarithmic behavior with a universal coefficient. Consequently, our quantity not only detects the phase transition but also determines the universality class of the critical point. Moreover we show that the largest defined probabilities are very close to the biggest Schmidt coefficients. We quantify this by defining a truncated Shannon entropy which its value is almost indistinguishable from the truncated von Neumann entanglement entropy. Compared to the entanglement entropy, our quantity has the advantage of being associated to a natural observable (subsystem Hamiltonian) that can be defined (and probably measured) easily for all the short-range interacting systems. Furthermore, we support our arguments by detailed numerical calculations performed on the transverse field XY chain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Phase diagram of the three-dimensional subsystem toric code

Subsystem quantum error-correcting codes typically involve measuring a sequence of noncommuting parity check operators. They can sometimes exhibit greater fault tolerance than conventional codes, which use commuting checks. However, unlike subspace codes, it is unclear if subsystem codes—in particular their advantages—can be understood in terms of ground-state properties of a physical Hamiltonian. In this paper, we address this question for the three-dimensional subsystem toric code (3D STC), as recently constructed by Kubica and Vasmer [], which exhibits single-shot error correction. Motivated by a conjectured relation between single-shot properties and thermal stability, we study the zero- and finite-temperature phases of an associated noncommuting Hamiltonian. By mapping the Hamiltonian model to a pair of 3D Z 2 gauge theories coupled by a kinetic constraint, we find various phases at zero temperature, all separated by first-order transitions: There are 3D toric code-like phases with deconfined point-like excitations in the bulk, and there are phases with a confined bulk supporting a 2D toric code on the surface when appropriate boundary conditions are chosen. The latter is similar to the surface topological order present in 3D STC. However, the similarities between the single-shot correction in 3D STC and the confined phases are only partial: they share the same sets of degrees of freedom, but they are governed by different dynamical rules. Instead, we argue that the process of single-shot error correction can more suitably be associated with a path (rather than a point) in the zero-temperature phase diagram, a perspective, which inspires alternative measurement sequences enabling single-shot error correction. Moreover, since none of the above-mentioned phases survives at nonzero temperature, the single-shot error-correction property of the code does not imply thermal stability of the associated Hamiltonian phase. Published by the American Physical Society 2024

Li, Yaodong (ORCID:0000000337421944)↗
DOE OSTI2022

Hilbert space fragmentation in a 2D quantum spin system with subsystem symmetries

We consider a 2D quantum spin model with ring-exchange interaction that has subsystem symmetries associated to conserved magnetization along rows and columns of a square lattice, which implies the conservation of the global dipole moment. The model is not integrable, but violates the eigenstate thermalization hypothesis through an extensive Hilbert space fragmentation, including an exponential number of inert subsectors with trivial dynamics, arising from kinetic constraints. While subsystem symmetries are quite restrictive for the dynamics, we show that they alone cannot account for such a number of inert states, even with infinite-range interactions. We present a procedure for constructing shielding structures that can separate and disentangle dynamically active regions from each other. Notably, subsystem symmetries allow the thickness of the shields to be dependent only on the interaction range rather than on the size of the active regions, unlike in the case of generic dipole-conserving systems.

Khudorozhkov, Alexey↗
DOE OSTI2024

Predictive Complexity of Quantum Subsystems

We define predictive states and predictive complexity for quantum systems composed of distinct subsystems. This complexity is a generalization of entanglement entropy. It is inspired by the statistical or forecasting complexity of predictive state analysis of stochastic and complex systems theory but is intrinsically quantum. Predictive states of a subsystem are formed by equivalence classes of state vectors in the exterior Hilbert space that effectively predict the same future behavior of that subsystem for some time. As an illustrative example, we present calculations in the dynamics of an isotropic Heisenberg model spin chain and show that, in comparison to the entanglement entropy, the predictive complexity better signifies dynamically important events, such as magnon collisions. It can also serve as a local order parameter that can distinguish long and short range entanglement.

Asplund, Curtis T. (ORCID:0000000305575850)↗
DOE OSTI2024

Leveraging Optimal Sparse Sensor Placement to Aggregate a Network of Digital Twins for Nuclear Subsystems

Nuclear power plants (NPPs) require continuous monitoring of various systems, structures, and components to ensure safe and efficient operations. The critical safety testing of new fuel compositions and the analysis of the effects of power transients on core temperatures can be achieved through modeling and simulations. They capture the dynamics of the physical phenomenon associated with failure modes and facilitate the creation of digital twins (DTs). Accurate reconstruction of fields of interest (e.g., temperature, pressure, velocity) from sensor measurements is crucial to establish a two-way communication between physical experiments and models. Sensor placement is highly constrained in most nuclear subsystems due to challenging operating conditions and inherent spatial limitations. This study develops optimized data-driven sensor placements for full-field reconstruction within reactor and steam generator subsystems of NPPs. Optimized constrained sensors reconstruct field of interest within a tri-structural isotropic (TRISO) fuel irradiation experiment, a lumped parameter model of a nuclear fuel test rod and a steam generator. The optimization procedure leverages reduced-order models of flow physics to provide a highly accurate full-field reconstruction of responses of interest, noise-induced uncertainty quantification and physically feasible sensor locations. Accurate sensor-based reconstructions establish a foundation for the digital twinning of subsystems, culminating in a comprehensive DT aggregate of an NPP.

42 ENGINEERING↗
NASA NTRS1970

TOPS spacecraft propulsion subsystem

Trajectory correction propulsion subsystem /TCPS/, attitude propulsion subsystem /APS/ and pyrotechnic subsystem of thermoelectric outer planet spacecraft /TOPS/

Baughman, L. E.↗
NASA NTRS1971

Development and testing of the S-band antenna subsystem for the Mariner Mars 1971 spacecraft

The Mariner Mars 1971 S-band antenna subsystem is used to transmit and receive S-band signals to and from the Deep Space Instrumentation Facility ground stations. The antenna subsystem consists of a low-gain antenna, a medium-gain antenna, a directional coupler, a high-gain antenna, and all transmission lines required to interconnect the antennas to the spacecraft radio frequency subsystem. The low-gain antenna is used to transmit signals during cruise and receive signals throughout the mission. The medium-gain antenna is coupled to the low-gain antenna via the directional coupler and is used to transmit and receive signals during Mars orbit insertion. The high-gain antenna is used to transmit high data rate signals primarily during Mars orbit.

Brejcha, A. G.↗
NASA NTRS1972

Pilot/vehicle control optimization using averaged operational mode and subsystem relative performance index sensitivities

A method is presented for designing optimal feedback controllers for systems having subsystem sensitivity constraints. Such constraints reflect the presence of subsystem performance indices which are in conflict with the performance index of the overall system. The key to the approach is the use of relative performance index sensitivity (a measure of the deviation of a performance index from its optimum value). The weighted sum of subsystem and/or operational mode relative performance index sensitivies is defined as an overall performance index. A method is developed to handle linear systems with quadratic performance indices and either full or partial state feedback. The usefulness of this method is demonstrated by applying it to the design of a stability augmentation system (SAS) for a VTOL aircraft. A desirable VTOL SAS design is one that produces good VTOL transient response both with and without active pilot control. The system designed using this method is shown to effect a satisfactory compromise solution to this problem.

Leininger, G. G.↗
NASA NTRS1972

Apollo experience report: Lunar module electrical power subsystem

The design and development of the electrical power subsystem for the lunar module are discussed. The initial requirements, the concepts used to design the subsystem, and the testing program are explained. Specific problems and the modifications or compromises (or both) imposed for resolution are detailed. The flight performance of the subsystem is described, and recommendations pertaining to power specifications for future space applications are made.

Campos, A. B.↗
NASA NTRS1972

Development of a biowaste resistojet propulsion system propellant management and control subsystem.

The subject subsystem is under development as the major portion of an overall biowaste resistojet system development program. The design is based on the Space Station model, but incorporates features compatible with all envisioned/anticipated advancements in the interfacing environmental control life support (EC/LS) system. Results to date, for system design, development plan, component selection, and system acceptance test will be presented. Subsystem usage in functional system tests to be performed at Langley Research Center, and its application to an envisioned and integrated system, and extended manned tests, are delineated. Expanded applications of the subsystem, to control/limit external contamination of manned spacecraft, are identified.-

Greco, R. V.↗