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DOE OSTI2022

Triplet-pair spin signatures from macroscopically aligned heteroacenes in an oriented single crystal

The photo-driven process of singlet fission generates coupled triplet pairs (TT) with fundamentally intriguing and potentially useful properties. The quintet 5 TT 0 sublevel is particularly interesting for quantum information because it is highly entangled, is addressable with microwave pulses, and could be detected using optical techniques. Previous theoretical work on a model Hamiltonian and nonadiabatic transition theory, called the JDE model, has determined that this sublevel can be selectively populated if certain conditions are met. Among the most challenging, the molecules within the dimer undergoing singlet fission must have their principal magnetic axes parallel to one another and to an applied Zeeman field. Here, we present time-resolved electron paramagnetic resonance (TR-EPR) spectroscopy of a single crystal sample of a tetracenethiophene compound featuring arrays of dimers aligned in this manner, which were mounted so that the orientation of the field relative to the molecular axes could be controlled. The observed spin sublevel populations in the paired TT and unpaired (T+T) triplets are consistent with predictions from the JDE model, including preferential 5 TT 0 formation at z ‖ B 0 , with one caveat—two 5 TT spin sublevels have little to no population. This may be due to crossings between the 5 TT and 3 TT manifolds in the field range investigated by TR-EPR, consistent with the intertriplet exchange energy determined by monitoring photoluminescence at varying magnetic fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Gemini/GMOS Transmission Spectroscopy of the Grazing Planet Candidate WD 1856+534 b

WD 1856+534 b is a Jupiter-sized, cool giant planet candidate transiting the white dwarf WD 1856+534. Here, we report an optical transmission spectrum of WD 1856+534 b obtained from ten transits using the Gemini Multi Object Spectrograph. This system is challenging to observe due to the faintness of the host star and the short transit duration. Nevertheless, our phase-folded white light curve reached a precision of 0.12%. WD 1856+534 b provides a unique transit configuration compared to other known exoplanets: the planet is 8x larger than its star and occults over half of the stellar disk during mid-transit. Consequently, many standard modeling assumptions do not hold. We introduce the concept of a “limb darkening corrected, time-averaged transmission spectrum” and propose that this is more suitable than (R pλ /R s ) 2 for comparisons to atmospheric models for planets with grazing transits. We also present a modified radiative transfer prescription. Though the transmission spectrum shows no prominent absorption features, it is sufficiently precise to constrain the mass of WD 1856+534 b to be >0.84 M J (to 2σ confidence), assuming a clear atmosphere and a Jovian composition. High-altitude cloud decks can allow lower masses. WD 1856+534 b could have formed either as a result of common envelope evolution or migration under the Kozai–Lidov mechanism. Further studies of WD 1856+534 b, alongside new dedicated searches for substellar objects around white dwarfs, will shed further light on the mysteries of post-main-sequence planetary systems.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Effects of roughness on heating and boundary-layer transition. Part 1: Effects of simulated panel joints on boundary-layer transition

The effects of distributed roughness, arising from space shuttle orbiter panel joints, on boundary layer transition are investigated. The North American Rockwell 134B delta wing shuttle configuration was used for the study. Results show: (1) Premature boundary layer transition occurred in models having simulated heat shield panels with rased joints. (2) Laminar flow was maintained with slot type panel joint models to a Reynolds number twice that at which transition occurred in raised joints. (3) Significant increases in peak surface temperature and the time during which turbulent flow occurs may result from distributed roughness of heat shield panel joints. (4) Laminar and turbulent heating levels were predicted within available theories. (5) A complex interference between the wing and fuselage flow was observed in the delta wing model.

Seegmiller, H. L.↗

DOE OSTI2020

Improved Frequency-Domain Steady-State Modeling of the Dual-Active-Bridge Converter Considering Finite ZVS Transition Time Effects

This article presents an improved analytical modeling (IAM) approach for the dual-active-bridge (DAB) converter in the frequency-domain. Specifically, finite transition times are incorporated into the improved modeling that are significant in DAB converters operated at high frequency. The IAM approach is first motivated by comparing traditional frequency-domain modeling against realistic simulation results in LTspice. Next, the IAM approach is mathematically developed in an iterative fashion, where the conventional frequency-domain approach is used as the initialization of the operational behavior of the converter. Subsequent iterations of the IAM algorithm incorporate finite rise- and falltimes of device output capacitances based on detailed switching behavior analyses, which may considerably perturb the desired modulation parameters (i.e., phase shift and zero states). While the initially proposed IAM approach demonstrates advantages over ideal modeling, it is still shown to exhibit errors when applied to device transitions with significant nonlinearity in parasitic output capacitance. To account for this, a three-slope approximation to the switching transition is then motivated and developed, which enables significantly improved steady-state prediction accuracy. Simulation and experimental results confirm unacceptable inaccuracies associated with the conventional frequency-domain modeling across a wide range of operating conditions, alongside enhanced accuracy provided by the proposed modeling approach.

14 SOLAR ENERGY↗

NASA NTRS2018

Blunt-Body Paradox and Improved Application of Transient-Growth Framework

The “Reshotko-Tumin transition criterion" based on optimal transient growth successfully correlates laboratory measurements of roughness induced transition over blunt body configurations. Even though transient growth has not been conclusively linked to the measured onset of transition, the above correlation denotes the only available physics-based model for subcritical transition in blunt body flows, since the latter do not support any modal instabilities at typical experimental conditions. Unlike other established models based on empirical curve fits that are valid for a specific subclass of datasets, the optimal-growth-based transition criterion appears to provide a reasonable correlation with measurements in various wind tunnel and ballistic range facilities and for a broad range of surface temperature ratios. This paper is focused on optimal growth calculations that improve upon significant shortcomings of the computations underlying the Reshotko-Tumin correlation. The improved framework is applied to leeward transition over a spherical section forebody that was tested in the Mach 6 Adjustable Contour Expansion wind tunnel at Texas A&M University. The computed results highlight the significance of nonparallel basic state evolution, curvature terms, and an optimization procedure that varies both inflow and outflow locations of the transient growth interval. More important, the results indicate that the modified correlation is very close to its original form, and hence, that the accuracy of the transient-growth-based transition criterion is not compromised by using a more thorough theoretical framework. Yet the results also show that the optimal energy gain up to the predicted transition onset location can be rather small, highlighting the need to further investigate the optimal growth criterion for additional experimental configurations and to also uncover the in-depth physics underlying blunt body transition.

Freestream conditions↗

NASA NTRS1999

Numerical Simulation of Complex Turbomachinery Flows

An unsteady, multiblock, Reynolds Averaged Navier Stokes solver based on Runge-Kutta scheme and Pseudo-time step for turbo-machinery applications was developed. The code was validated and assessed against analytical and experimental data. It was used to study a variety of physical mechanisms of unsteady, three-dimensional, turbulent, transitional, and cooling flows in compressors and turbines. Flow over a cylinder has been used to study effects of numerical aspects on accuracy of prediction of wake decay and transition, and to modify K-epsilon models. The following simulations have been performed: (a) Unsteady flow in a compressor cascade: Three low Reynolds number turbulence models have been assessed and data compared with Euler/boundary layer predictions. Major flow features associated with wake induced transition were predicted and studied; (b) Nozzle wake-rotor interaction in a turbine: Results compared to LDV data in design and off-design conditions, and cause and effect of unsteady flow in turbine rotors were analyzed; (c) Flow in the low-pressure turbine: Assessed capability of the code to predict transitional, attached and separated flows at a wide range of low Reynolds numbers and inlet freestream turbulence intensity. Several turbulence and transition models have been employed and comparisons made to experiments; (d) leading edge film cooling at compound angle: Comparisons were made with experiments, and the flow physics of the associated vortical structures were studied; and (e) Tip leakage flow in a turbine. The physics of the secondary flow in a rotor was studied and sources of loss identified.

Chernobrovkin, A. A.↗

DOE OSTI2020

Four-Switch Buck-Boost Converter Based on Model Predictive Control with Smooth Mode Transition Capability

Four-switch buck-boost converter supports both voltage step-up and step-down functionalities, but it suffers from mode transfer challenge that would need reliable mode detection when designed to operate in multi different modes. In this paper, a novel control method based on model predictive current control is proposed for such converter with inherent smooth mode transfer capability without extra design on mode detection and transfer scheme. Modulator and mode detection are replaced by an optimization process through cost function. This largely simplifies the design and makes it easily implemented. Therefore, seamless transfer between buck and boost modes is achieved with many other system level benefits. Simulation and experimental results are provided to verify the effectiveness of proposed method for the four-switch buck-boost converter.

42 ENGINEERING↗

DOE OSTI2024

Dark radiation isocurvature from cosmological phase transitions

Abstract Cosmological first order phase transitions are typically associated with physics beyond the Standard Model, and thus of great theoretical and observational interest. Models of phase transitions where the energy is mostly converted to dark radiation can be constrained through limits on the dark radiation energy density (parameterized by ΔN eff ). However, the current constraint (ΔN eff < 0.3) assumes the perturbations are adiabatic. We point out that a broad class of non-thermal first order phase transitions that start during inflation but do not complete until after reheating leave a distinct imprint in the scalar field from bubble nucleation. Dark radiation inherits the perturbation from the scalar field when the phase transition completes, leading to large-scale isocurvature that would be observable in the CMB. We perform a detailed calculation of the isocurvature power spectrum and derive constraints on ΔN eff based on CMB+BAO data. For a reheating temperature ofT rh and a nucleation temperatureT * , the constraint is approximately ΔN eff ≲ 10 -5 (T * /T rh ) -4 , which can be much stronger than the adiabatic result. We also point out that since perturbations of dark radiation have a non-Gaussian origin, searches for non-Gaussianity in the CMB could place a stringent bound on ΔN eff as well.

Astronomy & Astrophysics↗

DOE OSTI2020

Robust Adaptive Decentralized Dynamic State Estimation with Unknown Control Inputs using Field PMU Measurements

This paper proposes a robust adaptive decentralized dynamic state estimation method for power system with unknown inputs of the highly detailed synchronous machine model. The temporal and spatial correlations among the unknown inputs are used to derive a vector auto-regressive model. The latter is further integrated together with state transition and measurement models for joint state and unknown inputs estimation. Thanks to the consideration of implicit cross-correlations between the states and the unknown inputs, only generator terminal voltage and current phasors are needed. Test results on the US WECC system using the field PMU measurements show that the proposed method is able to track both the system dynamic states and unknown controller inputs. These information could significantly benefit the validation and calibration of generator controller parameters.

Zhao, Junbo↗

NASA NTRSDate not supplied

Validating Drag and Heating Coefficients for Hollow Reentry Objects in Continuum Flow Using a Mach 7 Ludwieg Tube

Drag and heating coefficient databases and models are crucial to destructive reentry simulation. The NASA Orbital Debris Program Office (ODPO) develops, maintains, and performs analysis with the Object Reentry Survival Analysis Tool (ORSAT), which comprises drag and heating models for free molecular, transitional, and continuum flow regimes. These models have, in the past, only included solid, convex, blunt shapes (such as boxes, spheres, and cylinders). Previous work led by ODPO includes the extension of these models to hollow cylinders and square boxes in free molecular and transitional flow using the Direct Simulation Monte Carlo (DSMC) method. Since 2019, the ODPO has continued its program of DSMC simulations and extended the project to include analyses with the NASA Data Parallel Line Relaxation (DPLR) program on hollow cylinders and boxes (with varying wall thickness-diameter ratio). In fall 2022, the ODPO began a collaboration with the University of Texas San Antonio (UTSA) to use the Mach 7 Ludwieg Tube facility to validate the model built using numerical simulations. This facility can replicate (at a scale of approximately 100:1) the conditions seen by reentering objects near typical demise altitudes. We present here the drag and heating coefficients derived from the continued DSMC simulations, the new DPLR simulations, and the 26-test series at UTSA.

Chris Ostrom↗

NASA NTRS2023

Validating Drag and Heating Coefficients for Hollow Reentry Objects in Continuum Flow Using a Mach 7 Ludwieg Tube

Chris Ostrom↗

DOE OSTI2023

Uncertainty quantification of transition operators in the empirical shell model

While empirical shell model calculations have successfully described low-lying nuclear data for decades, only recently has significant effort been made to quantify the uncertainty in such calculations. Here, in this study, we quantify the statistical error in effective parameters for transition operators in empirical calculations in the sd (1s 1/2 -0d 3/2 -0d 5/2 ) valence space, specifically the quenching of Gamow-Teller transitions, effective charges for electric quadrupole (E2) transitions, and the effective orbital and spin couplings for magnetic dipole (M1) transitions and moments. We find the quenching factor for Gamow-Teller transitions relative to free-space values is tightly constrained. For effective M1 couplings, we found isoscalar components more constrained than isovector. This detailed quantification of uncertainties, while highly empirical, nonetheless is an important step towards interpretation of experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Subdimensional criticality: Condensation of lineons and planons in the X-cube model

We study quantum phase transitions out of the fracton ordered phase of the Z N X-cube model. These phase transitions occur when various types of subdimensional excitations and their composites are condensed. The condensed phases are either trivial paramagnets, or are built from stacks of D = 2 or 3 deconfined gauge theories, where D is the spatial dimension. Here, the nature of the phase transitions depends on the excitations being condensed. Upon condensing dipolar bound states of fractons or lineons, for N ≥ 4 we find stable critical points described by decoupled stacks of D = 2 conformal field theories. Upon condensing lineon excitations, when N > 4 we find a gapless phase intermediate between the X-cube and condensed phases, described as an array of D = 1 conformal field theories. In all these cases, effective subsystem symmetries arise from the mobility constraints on the excitations of the X-cube phase and play an important role in the analysis of the phase transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1988

Turbulence modeling in hypersonic inlets

A study is conducted to analyze the performance of different turbulence models when applied to flow through a Mach 7.4 hypersonic inlet. The analysis, which is two-dimensional, is done by comparing computational results from a Parabolized Navier-Stokes code and a full Navier-Stokes code, with experimental data. The McDonald-Camarata (MC) and Baldwin-Lomax (BL) models were the two zero-equation models used in the study. The Turbulent Kinetic Energy (TKE) model was chosen as a representative higher order model. The MC model, when run with transition of flow, provides a solution which compares excellently with the data. Transition has a first order effect on the overall solution provided by the code. The BL model predicts separation of flow in the inlet, which contradicts experimental findings. The TKE model does not perform any better than the MC and BL models, despite the fact that it is a higher order turbulence model. The BL and TKE models predict transition in the inlet at a location which is much earlier than observed in the experiment. This may be attributed to the empirical constants used to determine the point of transition.

Ng, W. F.↗

NASA NTRS1991

An evaluation of three two-dimensional computational fluid dynamics codes including low Reynolds numbers and transonic Mach numbers

Full-potential, Euler, and Navier-Stokes computational fluid dynamics (CFD) codes were evaluated for use in analyzing the flow field about airfoils sections operating at Mach numbers from 0.20 to 0.60 and Reynolds numbers from 500,000 to 2,000,000. The potential code (LBAUER) includes weakly coupled integral boundary layer equations for laminar and turbulent flow with simple transition and separation models. The Navier-Stokes code (ARC2D) uses the thin-layer formulation of the Reynolds-averaged equations with an algebraic turbulence model. The Euler code (ISES) includes strongly coupled integral boundary layer equations and advanced transition and separation calculations with the capability to model laminar separation bubbles and limited zones of turbulent separation. The best experiment/CFD correlation was obtained with the Euler code because its boundary layer equations model the physics of the flow better than the other two codes. An unusual reversal of boundary layer separation with increasing angle of attack, following initial shock formation on the upper surface of the airfoil, was found in the experiment data. This phenomenon was not predicted by the CFD codes evaluated.

Hicks, Raymond M.↗

DOE OSTI2024

Semiclassical theory of bipolaronic superconductivity in a bond-modulated electron-phonon model

We analyze the transition temperature T c of bipolaronic superconductivity in a bond Su-Schrieffer-Heeger (bond-SSH) model—also known as a bond Peierls model—where the electron hoppings are modulated by bond phonons. Using a semiclassical instanton approximation justifiable in the adiabatic limit of slow phonons, we find that the bipolaron mass is only weakly enhanced, in contrast to the typical large mass enhancement found in standard (Holstein) electron-phonon models. Specifically, in the strong coupling limit, the bipolarons can freely slide within a degenerate manifold rather than become self-trapped. A gas of these bipolarons can undergo a superfluid transition at a critical temperature for which we obtain an upper bound. We find that this bound is exponentially larger than that in the Holstein model. In conclusion, our study provides an analytical understanding of the mechanism behind the high-T c bipolaronic superconductivity numerically observed in [Phys. Rev. X 13, 011010 (2023)].

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2020

Over-Winter Persistence of Supraglacial Lakes on the Greenland Ice Sheet: Results and Insights From a New Model

We present a newly developed 1-D numerical energy-balance and phase transition supraglacial lake model: Glacier Lake. Glacier Lake incorporates snowfall, in situ snow and ice melt, incoming water from the surrounding catchment, ice lid formation, basal freeze-up and thermal stratification. Snow cover and temperature are varied to test lake development through winter and the maximum lid thickness is recorded. Average wintertime temperatures of −2 to −30◦C and total snowfall of 0 to 3.45 m lead to a range of the maximum lid thickness from 1.2 to 2.8 m after ~250 days, with snow cover exerting the dominant control. An initial ice temperature of −15◦C with simulated advection of cold ice from upstream results in 0.6 m of basal freeze-up. This suggests that lakes with water depths above 1.3 to 3.4 m (dependent on winter snowfall and temperature) upon lid formation will persist through winter. These buried lakes can provide a sizeable water store at the start of the melt season, expedite future lake formation and warm underlying ice even in winter.

glacier hydrology↗

NASA NTRS1961

Flight Tests of a 1/6-Scale Model of the Hawker P 1127 Jet VTOL Airplane

An experimental investigation has been made to determine the dynamic stability and control characteristics of a 1/6-scale flying model of the Hawker P lIP7 jet vertical-take-off-and-landing (VTOL) airplane in hovering and transition flight. The model was powered by a counter-rotating ducted fan driven by compressed-air jets at the tips of the fan blades. In hovering flight the model was controlled by jet-reaction controls which consisted of yaw and pitch jets at the extremities of the fuselage and a roll jet on each wing tip. In forward flight the model was controlled by conventional ailerons and rudder and an all-movable horizontal tail. In hovering flight the model could be flown smoothly and easily, but the roll control was considered too weak for rapid maneuvering or hovering in gusty air. Transitions from hovering to normal forward flight and back to hovering could be made smoothly and consistently and with only moderate changes in longitudinal trim. The model had a static longitudinal instability or pitch-up tendency throughout the transition range, but the rate of divergence in the pitch-up was moderate and the model could be controlled easily provided the angle of attack was not allowed to become too high. In both the transition and normal forward flight conditions the lateral motions of the model were difficult to control at high angles of attack, apparently because of low directional stability at small angles of sideslip. The longitudinal stability of the model in normal forward flight was generally satisfactory, but there was a decided pitch-up tendency for the flap-down condition at high angles of attack. In the VTOL landing approach condition, with the jets directed straight down or slightly forward, the nose-down pitch trim required was greater than in the transitions from hovering to forward flight, but the longitudinal instability was about the same. Take-offs and landings in still air could be made smoothly although there was a slight unfavorable ground effect on lift and a nose-down change in pitch trim near the ground. Short take-offs and landings could be made smoothly and consistently although the model experienced a decided nose-up change in pitching moment as it climbed out of ground effect.

Smith, Charles C., Jr.↗