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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)

A cascaded Schwarz converter for high frequency power distribution

It is shown that two Schwarz converters in cascade provide a very reliable 20-kHz source that features zero current commutation, constant frequency, and fault-tolerant operation, meeting requirements for spacecraft applications. A steady-state analysis of the converter is presented, and equations for the steady-state performance are derived. Fault-current limiting is discussed. Experimental results are presented for a 900-W version, which has been successfully tested under no-load, full-load, and short-circut conditions.

Ray, Biswajit

Robustness and Behavior of Adjoint Calculations of Observation Impacts in Numerical Weather Prediction

Adjoint models are powerful tools that can be used to estimate the impact of observations on a chosen norm for numerical weather prediction forecasts. In this study, the Global Modeling and Assimilation Office (NASA/GMAO) Observing System Simulation Experiment framework is employed to investigate the behavior of the adjoint tool in an environment where the 'true' state of the atmosphere is fully known. This allows for the calculation of adjoint estimates of observation impact for very short forecast times including the zero-hour analysis state. The adjoint calculations using self-analysis verification can also be compared to adjoint calculations using the 'truth' as verification in order to characterize the robustness of adjoint estimations in the operational setting. Results from a experiments exploring various aspects of performance of the adjoint tool will be presented.

Prive, Nikki C.

Molecular insights into CO 2 -to-bicarbonate transformation in functionalized anion exchange ionomers for electrochemical separations

Bipolar membrane (BPM) electrochemical processes are a promising platform for carbon dioxide (CO 2 ) separations, but the molecular level thermodynamic and kinetic understanding of CO 2 -to-bicarbonate (HCO 3 − ) transformation remain poorly understood. This study employs a multiscale computational approach to systematically explore the adsorption and reactive transformation of CO 2 in five anion exchange ionomer systems. Classical molecular dynamics (MD) simulation results demonstrate that polymers with imidazolium groups significantly reduce CO 2 diffusion and enhance (OH − )–CO 2 interactions due to stronger electrostatic and π-interactions. Compared to the commonly used quaternary ammonium ionomers, imidazolium-functionalized ionomers show improved CO 2 proximity and interaction strength. Ab initio MD and density functional theory (DFT) calculations reveal that the benzyl-substituted imidazolium (IM-Ben) substantially reduces the energy barrier for HCO 3 − formation (∼72 meV lower) compared to the alkyl-substituted IM-nBu, while also mitigating imidazolium deprotonation under moderate hydration conditions. Transition state analysis shows IM-Ben forms more extensive hydrogen-bonding networks, which stabilize the transition state structure and contribute to a lower energy barrier for bicarbonate formation. These findings highlight the advantage of the adjacent benzyl moiety in enabling efficient CO 2 -to-bicarbonate transformation via hydrated hydroxide ion counterions, offering mechanistic insights and clear molecular design principles for optimizing anion exchange ionomers at bipolar membrane interfaces for electrochemical CO 2 separation applications.

Bipolar membranes, Reactive transformation of CO2,

The Impact of the Assimilation of AIRS Radiance Measurements on Short-term Weather Forecasts

Advanced spaceborne instruments have the ability to improve the horizontal and vertical characterization of temperature and water vapor in the atmosphere through the explicit use of hyperspectral thermal infrared radiance measurements. The incorporation of these measurements into a data assimilation system provides a means to continuously characterize a three-dimensional, instantaneous atmospheric state necessary for the time integration of numerical weather forecasts. Measurements from the National Aeronautics and Space Administration (NASA) Atmospheric Infrared Sounder (AIRS) are incorporated into the gridpoint statistical interpolation (GSI) three-dimensional variational (3D-Var) assimilation system to provide improved initial conditions for use in a mesoscale modeling framework mimicking that of the operational North American Mesoscale (NAM) model. The methodologies for the incorporation of the measurements into the system are presented. Though the measurements have been shown to have a positive impact in global modeling systems, the measurements are further constrained in this system as the model top is physically lower than the global systems and there is no ozone characterization in the background state. For a study period, the measurements are shown to have positive impact on both the analysis state as well as subsequently spawned short-term (0-48 hr) forecasts, particularly in forecasted geopotential height and precipitation fields. At 48 hr, height anomaly correlations showed an improvement in forecast skill of 2.3 hours relative to a system without the AIRS measurements. Similarly, the equitable threat and bias scores of precipitation forecasts of 25 mm (6 hr)-1 were shown to be improved by 8% and 7%, respectively.

McCarty, Will

Exchange of sulfur between the free troposphere, marine boundary layer, and the sea surface

A steady state analysis has been made of the sources and sinks of sulfur in the remote marine atmosphere and of the steady state exhanges of SO2 and sulfate between the sea, boundary layer, and free troposphere. Two situations were examined: an area of high biological productivity (Gulf of Guinea) and an area of low productivity (tropical Atlantic). The results of the analysis suggest that about one-third of the background concentrations of SO2 and excess sulfate observed in the remote marine atmosphere mixes in from the free troposphere, with the balance, about 100 micrograms S/sq m per day, attributed to the local oxidation of reduced sulfur-bearing precursors in the boundary layer.

Kritz, M. A.

Laser power supply thermo-structural analysis for the Mars 2020 rover

Operation of the Laser Power Supply (LPS) module provides the dual challenge of high power dissipation, and the need for strict dielectric isolation, while needing to survive in an environment on Mars that will see a chilly night-time temperature of -123°C, and to a daytime instrument environment in excess of 50°C. Additionally, power restrictions prevent the use of survival heating during the night. The harsh mechanical vibration environment of launch and landing provides an additional challenge to reliability. A multi-physics simulation was created that took into account temperature property variations, as well as solving the transient analysis that also included rapid variation in power-pulsing during the operation of the laser. The steady state analysis employed a more traditional finite element based analysis, but with provisions for Mars gas convection and thermal radiation.

Tuman, David

Mars 2020 Rover Laser Power Supply Thermomechanical Analysis

Operation of the Laser Power Supply (LPS) module provides the dual challenge of high power dissipation, and the need for strict dielectric isolation, while needing to survive in an environment on Mars that will see a chilly night-time temperature of -123°C, and to a daytime instrument environment in excess of 50°C. Additionally, power restrictions prevent the use of survival heating during the night. The harsh mechanical vibration environment of launch and landing provides an additional challenge to reliability. A multi-physics simulation was created that took into account temperature property variations, as well as solving the transient analysis that also included rapid variation in power-pulsing during the operation of the laser. The steady state analysis employed a more traditional finite element based analysis, but with provisions for Mars gas convection and thermal radiation.

Tuman, David

Analysis of the passive stabilization of the long duration exposure facility

The nominal Long Duration Exposure Facility (LDEF) configurations and the anticipated orbit parameters are presented. A linear steady state analysis was performed using these parameters. The effects of orbit eccentricity, solar pressure, aerodynamic pressure, magnetic dipole, and the magnetically anchored rate damper were evaluated to determine the configuration sensitivity to variations in these parameters. The worst case conditions for steady state errors were identified, and the performance capability calculated. Garber instability bounds were evaluated for the range of configuration and damping coefficients under consideration. The transient damping capabilities of the damper were examined, and the time constant as a function of damping coefficient and spacecraft moment of inertia determined. The capture capabilities of the damper were calculated, and the results combined with steady state, transient, and Garber instability analyses to select damper design parameters.

Siegel, S. H.

Constraining Numerical Geodynamo Modeling with Surface Observations

Numerical dynamo solutions have traditionally been generated entirely by a set of self-consistent differential equations that govern the spatial-temporal variation of the magnetic field, velocity field and other fields related to dynamo processes. In particular, those solutions are obtained with parameters very different from those appropriate for the Earth s core. Geophysical application of the numerical results therefore depends on correct understanding of the differences (errors) between the model outputs and the true states (truth) in the outer core. Part of the truth can be observed at the surface in the form of poloidal magnetic field. To understand these differences, or errors, we generate new initial model state (analysis) by assimilating sequentially the model outputs with the surface geomagnetic observations using an optimal interpolation scheme. The time evolution of the core state is then controlled by our MoSST core dynamics model. The final outputs (forecasts) are then compared with the surface observations as a means to test the success of the assimilation. We use the surface geomagnetic data back to year 1900 for our studies, with 5-year forecast and 20-year analysis periods. We intend to use the result; to understand time variation of the errors with the assimilation sequences, and the impact of the assimilation on other unobservable quantities, such as the toroidal field and the fluid velocity in the core.

Kuang, Weijia

Steady-State Thermal-Analysis Program For Microcomputers

Nodal-network model of heat flow implemented by computer program. Steady State Thermal Analysis Program, STEADY, provides thermal designer with quick and convenient method for calculation of heat loads and temperatures. Used on small nodal networks for conceptual or preliminary thermal design and analysis. Accepts up to 20 nodes of fixed or variable temperatures, with constant or temperature-dependent thermal conductivities, and any set of consistent units. Written in FORTRAN 77.

Petrick, S. W.

Transient thermal analysis of a titanium multiwall thermal protection system

The application of the SPAR thermal analyzer to the thermal analysis of a thermal protection system concept is discussed. The titanium multiwall thermal protection system concept consists of alternate flat and dimpled sheets which are joined together at the crests of the dimples and formed into 30 cm by 30 cm (12 in. by 12 in.) tiles. The tiles are mechanically attached to the structure. The complex tile geometry complicates thermal analysis. Three modes of heat transfer were considered: conduction through the gas inside the tile, conduction through the metal, and radiation between the various layers. The voids between the dimpled and flat sheets were designed to be small enough so that natural convection is insignificant (e.g., Grashof number 1000). A two step approach was used in the thermal analysis of the multiwall thermal protection system. First, an effective normal (through-the-thickness) thermal conductivity was obtained from a steady state analysis using a detailed SPAR finite element model of a small symmetric section of the multiwall tile. This effective conductivity was then used in simple one dimensional finite element models for preliminary analysis of several transient heat transfer problems.

Blosser, M. L.

FAST-1.2.2: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include heat conduction through the fuel and other materials, heat transfer from the cladding-to-coolant, cladding elastic and plastic deformation (including creep), fuel-cladding mechanical interaction, fission gas release from the fuel, rod internal pressure, void volume, and cladding oxidation. The code contains necessary material and coolant properties, as well as clad-to-coolant heat transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.2.2 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.2.2 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS

Integrated Multi-Fidelity Model and Co-Simulation Platform for Distribution System Transient and Dynamic Analysis—DistribuDyn

As inverter-based, distributed energy resources (DERs) and variable loads continue to proliferate across distribution systems, it is increasingly important to understand their impacts on system stability and reliability. However, most commercially available simulation tools for distribution planning primarily focus on steady-state and quasi-steady state analysis, offering limited capabilities to study transient and dynamic behaviors.

24 POWER TRANSMISSION AND DISTRIBUTION

A Hybrid Dynamic/Steady-State Tool With Protection Simulation for Cascading-Outage Analysis of Extreme Events in Power Systems

The bulk electric power grid is subject to vulnerabilities from component outages, which in certain combinations (extreme events) might lead to cascading outages. Some of these outages can be severe enough to trigger brownouts and blackouts. Much is known about mitigating the first few failures near the beginning of a cascade, but there are few established methods and tools for directly analyzing the risks of cascading component outages over a longer time scale. Current power system tools have limited ability to perform detailed and accurate cascading-outage analysis, which could be computationally intensive. The Dynamic Contingency Analysis Tool (DCAT) enables power system planning engineers to more realistically assess the consequences of extreme contingencies and potential cascading events across their systems and interconnections. DCAT has several unique features: (i) detailed hybrid dynamic and steady-state analysis of power systems to mimic real-world cascading outages, (ii) detailed modeling of protection systems embedded in the dynamic simulation, (iii) simulation of corrective action after transients, (iv) simulation of islanding , and (v) high-performance computing capability to simulate a large number of contingencies in a reasonable time. DCAT outputs will help find technically sound solutions to reduce the risk of cascading outages. This paper provides details of DCAT methodology and shows its capabilities with extreme events on real-world cases.

24 POWER TRANSMISSION AND DISTRIBUTION

African dust transported to Barbados in the wintertime lacks indicators of chemical aging

The chemical processing (“aging”) of mineral dust is thought to increase dust light-scattering efficiency, cloud droplet activation, and nutrient solubility. However, the extent of African dust aging during long-range transport to the western Atlantic is poorly understood. Here, we explore African dust aging in wintertime samples collected from Barbados when dust is transported at lower altitudes. Ion chromatography (IC) analysis indicates that the mass concentrations of bulk nitrate, sulfate, and oxalate increase, relative to background conditions, when African dust reaches Barbados after transatlantic transport, indicating dust aging. However, aerosol mixing-state analysis from computer-controlled scanning electron microscopy with energy dispersive X-ray spectroscopy (CCSEM/EDX) indicates that approximately 67 % of dust particles are internally mixed with sea salt, while only about 26 % of dust particles contain no internally mixed components. SEM/EDX elemental mapping and time-of-flight secondary ion mass spectrometry (TOF-SIMS) reveals that within internally mixed dust and sea salt particles, only sea salt components contain signs of aging as indicated by the loss of chloride and acquisition of nitrate and/or sulfate. Our results suggest that chemical aging may only modestly increase the solubility of nutrients in African dust during long-range transport. Because most dust that we measured was internally mixed with sea salt, chemical aging is not necessarily required to increase the hygroscopicity of dust, at least in the lower boundary layer. Further, our findings have implications for understanding the release of halogens from sea salts, which may be enhanced in internally mixed dust and sea salt particles.

54 ENVIRONMENTAL SCIENCES

Effects of Lightning Injection on Power-MOSFETs

Lightning induced damage is one of the major concerns in aircraft health monitoring. Such short-duration high voltages can cause significant damage to electronic devices. This paper presents a study on the effects of lightning injection on power metal-oxide semiconductor field effect transistors (MOSFETs). This approach consisted of pin-injecting lightning waveforms into the gate, drain and/or source of MOSFET devices while they were in the OFF-state. Analysis of the characteristic curves of the devices showed that for certain injection modes the devices can accumulate considerable damage rendering them inoperable. Early results demonstrate that a power MOSFET, even in its off-state, can incur considerable damage due to lightning pin injection, leading to significant deviation in its behavior and performance, and to possibly early device failures.

Celaya, Jose

The thermodynamic properties of oxygen and nitrogen. Part 1: Thermodynamic properties of nitrogen from 115 R to 3500 R with pressures to 150000 psia

An equation of state is presented for liquid and gaseous nitrogen for temperatures from 115 R to 3500 R and pressures to 150,000 psia. All of the pressure-density-temperature data available from the published literature have been reviewed, and appropriate corrections have been identified and applied to bring experimental temperatures into accord with the International Practical Temperature Scale of 1968. Comparisons of property values calculated from the equation of state to measured values are included to illustrate the accuracy of the equation in representing the data. The coefficients of the equation of state were determined by a weighted least squares fit to selected published data and, simultaneously, to constant volume data determined by corresponding states analysis from oxygen data, and to data which define the phase equilibrium criteria for the saturated liquid and saturated vapor. The methods of weighting the various data for simultaneous fitting are presented and discussed. The equation of state is estimated to be accurate to within 0.5 percent in the liquid region, to within 0.1 percent for supercritical isotherms up to 15,000 psia, and to within 0.3 percent from 15,000 to 150,000 psia.

Stewart, R. B.