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DOE OSTI2025

Conduction band convergence and local structure distortion for superior thermoelectric performance of GaSb-doped n-type PbSe thermoelectrics

Achieving high-stability thermoelectric materials with excellent average power factor and figure of merit is crucial for maximizing the output power density and conversion efficiency of thermoelectric devices. In this study, GaSb is added to PbSe as an n-type dopant to form stable solid solutions. Doping with GaSb flattens the conduction band and reduces the energy difference between the Σ and L conduction bands, thereby significantly improving the Seebeck coefficient. Herein, the Ga and Sb atoms co-occupy the vacant Pb sites, unlike in the case of traditional single-element doping, as is verified by density functional theory calculations. The resultant structural distortion is confirmed via transmission electron microscopy. This local structure distortion caused by GaSb doping reduces the lattice thermal conductivity. Consequently, the Pb 0.99875 (GaSb) 0.00125 Se sample exhibits a record-high average power factor of ~22.37 μW cm −1 K −2 and a high average figure of merit of ~0.94 in the temperature range of 300‒873 K. Furthermore, the introduction of interstitial Cu and discordant Zn atoms further reduces the lattice thermal conductivity. The Pb 0.99875 (GaSb) 0.00125 Zn 0.01 Se 1.01 -0.3%Cu sample exhibits a low lattice thermal conductivity of ~0.4 W m −1 K −1 at 873 K and a record-high average figure of merit of ~1.01 in the temperature range of 300‒873 K.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Virtual Substrates for Wide Bandgap AlyX1-yN Growth

Lattice-matched substrates are critical for growth of high quality, compositionally-targeted ternary AlyX1-yN compounds with properties suitable for a wide variety of next-generation opto- and power electronic applications. [DOI:10.1149/2.0111702jss] We have identified the (111) plane of transition metal carbides and nitrides as lattice matched "virtual" substrate layers that have additional benefits of electrical conductivity and appropriate coefficients of thermal expansion for nitride layer at both growth and operating temperatures. [arXiv:2208.11769 2022] In this work, (111)-oriented TaC and ZrN are grown by RF sputtering and optimized as substrate layers for AlyGa1-yN and AlyGd1-yN, respectively. TaC is demonstrated as a full proof of concept. (111)-stabilized TaC layers with a rock-salt crystal structure are annealed to improve surface crystal quality and surface morphology and then used as a template for growth of an Al0.7Ga0.3N layer by molecular beam epitaxy. X-ray diffraction (XRD) demonstrates epitaxial registry of the grown layer to the substrate. High resolution transmission electron microscopy (TEM) is used to investigate interface behavior, showing regions of abrupt interface transitions and nitrogen polar termination of the Al0.7Ga0.3N. We also grew (111)-oriented ZrN on Ti-Zr-N graded buffer layers as a lattice-matched virtual substrate for AlyGd1-yN. Structure, morphology, and strain are analyzed using XRD and atomic force microscopy. Structure and quality of initial Al0.8Gd0.2N thin films are investigated for both in-situ and ex-situ growths.

AlyX1-yN↗

DOE OSTI2021

Naturalness and the muon magnetic moment

We study a predictive model for explaining the apparent deviation of the muon anomalous magnetic moment from the Standard Model expectation. There are no new scalars and hence no new hierarchy puzzles beyond those associated with the Higgs; the only new particles at the TeV scale are vector-like singlet and doublet leptons. Interestingly, this simple model provides a calculable example violating the Wilsonian notion of naturalness: despite the absence of any symmetries prohibiting its generation, the coefficient of the naively leading dimension-six operator for (g – 2) vanishes at one-loop. While effective field theorists interpret this either as a surprising UV cancellation of power divergences, or as a delicate cancellation between matching UV and calculable IR corrections to (g – 2) from parametrically separated scales, there is a simple explanation in the full theory: the loop integrand is a total derivative of a function vanishing in both the deep UV and IR. The leading contribution to (g – 2) arises from dimension-eight operators, and thus the required masses of new fermions are lower than naively expected, with a sizeable portion of parameter space already covered by direct searches at the LHC. The viable parameter space free of fine-tuning for the muon mass will be fully covered by future direct LHC searches, and all of the parameter space can be probed by precision measurements at planned future lepton colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

An LES study of secondary motion and wall shear stresses in a pipe bend

In this study, large-eddy simulations (LES) of a single-phase, turbulent flow in a 90 ° pipe bend are performed at three Reynolds numbers (5300, 27 000, and 45 000) to investigate the correlation between secondary flow motion and wall shear stresses, which is suspected to be a potential mechanism responsible for material erosion. The isothermal flows are validated against available experimental and numerical data first. The snapshot proper orthogonal decomposition (POD) is applied for the medium and high Reynolds number flows to identify the secondary flow motions and the oscillation of the Dean vortices that are found to cause swirl-switching. Distinguished frequencies of the POD time coefficients at Strouhal numbers of 0.25 and 0.28 are identified for Reynolds numbers at 27 000 and 45 000, respectively. Moreover, shear stress on the pipe wall and the associated power spectral density are obtained and shown to have the same oscillating frequency as the swirl-switching.

42 ENGINEERING↗

DOE OSTI2020

Physics successfully implements Lagrange multiplier optimization

Optimization is a major part of human effort. While being mathematical, optimization is also built into physics. For example, physics has the Principle of Least Action; the Principle of Minimum Power Dissipation, also called Minimum Entropy Generation; and the Variational Principle. Physics also has Physical Annealing, which, of course, preceded computational Simulated Annealing. Physics has the Adiabatic Principle, which, in its quantum form, is called Quantum Annealing. Thus, physical machines can solve the mathematical problem of optimization, including constraints. Binary constraints can be built into the physical optimization. In that case, the machines are digital in the same sense that a flip–flop is digital. A wide variety of machines have had recent success at optimizing the Ising magnetic energy. We demonstrate in this paper that almost all those machines perform optimization according to the Principle of Minimum Power Dissipation as put forth by Onsager. Further, we show that this optimization is in fact equivalent to Lagrange multiplier optimization for constrained problems. We find that the physical gain coefficients that drive those systems actually play the role of the corresponding Lagrange multipliers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1975

Plasma-sprayed, self-lubricating coatings for use from cryogenic temperatures to 870 deg C (1600 deg F)

A plasma-sprayed coating is described with good lubricating properties over a wide temperature range. The coating, designated NASA LUBE PS101, contains silver, nichrome, calcium fluoride, and an oxidation protective glass. Oscillating tests were conducted of self-aligning, plain cylindrical bearings, in which the bore was lined with 0.025 cm (0.010 in.) thick coatings of PS101; these were conducted at a radial load of 3.5 x 10 to the 7th power N/sq m (5000 psi) in nitrogen gas at -107 C (-160 F), in vacuum at room temperature, and in air from room temperature to 870 C (1600 F). Friction coefficients were less than 0.25 in all cases and wear rates were low. The coating is not brittle, and it has adequate oxidation resistance in air to at least 870 C.

Sliney, H. E.↗

NASA NTRS1978

Synthesis of a laterally displaced cluster feed for a reflector antenna with application to multiple beams and contoured patterns

Two methods are described for efficiently synthesizing the excitation coefficients of a laterally displaced cluster feed in a reflector antenna subject to beam distortion. Applications are presented for rotationally symmetric paraboloids excited by an equilateral triangular array of feed elements. The basic cluster is a central element surrounded by a hexagonal ring. The first method - termed the sequential current method - determines a set of excitation coefficients which minimizes the phase distortion in the 'effective' aperture distribution of the reflector. The second method - termed the gradient optimization method - is such that the distortion in the secondary power pattern is directly minimized in a min-L2 form by a gradient optimization algorithm regarded as a systematic computer iteration procedure. Application to the synthesis of contour patterns is included.

Galindo-Israel, V.↗

NASA NTRS1980

The use of the principle of superposition in measuring and predicting the thermal characteristics of an electronic equipment operated in a space environment

The advantages and possible pitfalls of using a generalized method of measuring and, based on these measurements, predicting the transient or steady-state thermal response characteristics of an electronic equipment designed to operate in a space environment are reviewed. The method requires generation of a set of thermal influence coefficients by test measurement in vacuo. A implified thermal mockup isused in this test. Once this data set is measured, temperatures resulting from arbitrary steady-state or time varying power profiles can be economically calculated with the aid of a digital computer.

Gale, E. H.↗

NASA NTRS1982

Titan's upper atmosphere - Composition and temperature from the EUV solar occultation results

It is inferred from observation of an occultation of the sun by Titan, using the Voyager 1 UV spectrometer, that temperatures are 176 + or - 20 K near the evening terminator and 196 + or - 20 K near the morning terminator, and that the major atmospheric constituent is N2, with a density of 2.7 + or - 0.2 x 10 to the 8th/cu cm at 3840 km. A layer of absorbing molecules, possibly polymers, is found near both morning and evening terminators. A photochemical model suggests that the homopause is located at 3500 + or - 70 km, with an eddy diffusion coefficient of 1(+2, -0.7) x 10 to the 8th/sq cm per sec, which decreases to about 1000 sq cm/sec in the lower stratosphere as N2 to the -2/3 power.

Smith, G. R.↗

NASA NTRS1986

Statistics of the geomagnetic secular variation for the past 5Ma

A new statistical model is proposed for the geomagnetic secular variation over the past 5Ma. Unlike previous models, the model makes use of statistical characteristics of the present day geomagnetic field. The spatial power spectrum of the non-dipole field is consistent with a white source near the core-mantle boundary with Gaussian distribution. After a suitable scaling, the spherical harmonic coefficients may be regarded as statistical samples from a single giant Gaussian process; this is the model of the non-dipole field. The model can be combined with an arbitrary statistical description of the dipole and probability density functions and cumulative distribution functions can be computed for declination and inclination that would be observed at any site on Earth's surface. Global paleomagnetic data spanning the past 5Ma are used to constrain the statistics of the dipole part of the field. A simple model is found to be consistent with the available data. An advantage of specifying the model in terms of the spherical harmonic coefficients is that it is a complete statistical description of the geomagnetic field, enabling us to test specific properties for a general description. Both intensity and directional data distributions may be tested to see if they satisfy the expected model distributions.

Constable, C. G.↗

NASA NTRS1988

Statistics of the geomagnetic secular variation for the past 5 m.y

Constable, C. G.↗

NASA NTRS1991

In flight measurement of steady and unsteady blade surface pressure of a single rotation large scale advanced prop-fan installed on the PTA aircraft

An experiment was performed by Hamilton Standard, Division of United Technologies Corporation, under contract by LeRC, to measure the blade surface pressure of a large scale, 8 blade model prop-fan in flight. The test bed was the Gulfstream 2 Prop-Fan Test Assessment (PTA) aircraft. The objective of the test was to measure the steady and periodic blade surface pressure resulting from three different Prop-Fan air inflow angles at various takeoff and cruise conditions. The inflow angles were obtained by varying the nacelle tilt angles, which ranged from -3 to +2 degrees. A range of power loadings, tip speeds, and altitudes were tested at each nacelle tilt angle over the flight Mach number range of 0.30 to 0.80. Unsteady blade pressure data tabulated as Fourier coefficients for the first 35 harmonics of shaft rotational frequency and the steady (non-varying) pressure component are presented.

Parzych, D.↗

NASA NTRS2002

Turbomachinery Course

In this viewgraph presentation, information and diagrams are provided on rocket engine turbopumps. These turbomachines are highly complex and have several unique features: (1) They are generally very high power density machines; (2) They experience high fluid dynamic loads; (3) They are exposed to severe thermal shocks in terms of rapid starts and stops and extremely high heat transfer coefficients; (4) They have stringent suction performance requirements to minimize tank weight; (5) Their working fluids significantly impact the design: oxidizers are generally explosive, they afford almost no lubrication for bearings and seals, some fuels can degrade material properties, cryogenics result in severe thermal gradients; (6) Their life requirements are short relative to other turbomachines in that there are hundreds of cycles and a few hours of operation for reusable systems. The design of rocket engine turbomachines is a systems engineering challenge because multiple engineering disciplines must be integrated to deal with issues pertaining to stress, structural dynamics, hydrodynamics, aerodynamics, thermodynamics, and materials and process selection.

Stinson, Henry↗

NASA NTRS2003

Wind Tunnel Database Development using Modern Experiment Design and Multivariate Orthogonal Functions

A wind tunnel experiment for characterizing the aerodynamic and propulsion forces and moments acting on a research model airplane is described. The model airplane called the Free-flying Airplane for Sub-scale Experimental Research (FASER), is a modified off-the-shelf radio-controlled model airplane, with 7 ft wingspan, a tractor propeller driven by an electric motor, and aerobatic capability. FASER was tested in the NASA Langley 12-foot Low-Speed Wind Tunnel, using a combination of traditional sweeps and modern experiment design. Power level was included as an independent variable in the wind tunnel test, to allow characterization of power effects on aerodynamic forces and moments. A modeling technique that employs multivariate orthogonal functions was used to develop accurate analytic models for the aerodynamic and propulsion force and moment coefficient dependencies from the wind tunnel data. Efficient methods for generating orthogonal modeling functions, expanding the orthogonal modeling functions in terms of ordinary polynomial functions, and analytical orthogonal blocking were developed and discussed. The resulting models comprise a set of smooth, differentiable functions for the non-dimensional aerodynamic force and moment coefficients in terms of ordinary polynomials in the independent variables, suitable for nonlinear aircraft simulation.

Morelli, Eugene A.↗

NASA NTRS2017

Viscous Three-Dimensional Simulation of Flow in an Axial Low Pressure Compressor at Engine Icing Operating Points

Viscous three-dimensional simulations of the Honeywell ALF502R-5 low pressure compressor (sometimes called a booster) using the NASA Glenn code GlennHT have been carried out. A total of ten simulations were produced. Five operating points are investigated, with each point run with two different wall thermal conditions. These operating points are at, or near, points where engine icing has been determined to be likely. In the future, the results of this study will be used for further analysis such as predicting collection efficiency of ice particles and ice growth rates at various locations in the compressor. A mixing plane boundary condition is used between each blade row, resulting in convergence to steady state within each blade row. The k-omega turbulence model of Wilcox, combined with viscous grid spacing near the wall on the order of one, is used to resolve the turbulent boundary layers. For each of the operating points, heat transfer coefficients are generated on the blades and walls. The heat transfer coefficients are produced by running the operating point with two different wall thermal conditions and then solving simultaneously for the heat transfer coefficient and adiabatic wall temperature at each point. Average Nusselt numbers are calculated for the most relevant surfaces. The values are seen to scale with Reynolds number to approximately a power of 0.7. Additionally, images of surface distribution of Nusselt number are presented. Qualitative comparison between the five operating points show that there is relatively little change in the character of the distribution. The dominant observed effect is that of an overall scaling, which is expected due to Reynolds number differences. One interesting aspect about the Nusselt number distribution is observed on the casing (outer diameter) downstream of the exit guide vanes (EGVs). The Nusselt number is relatively high between the pairs of EGVs, with two lower troughs downstream of each EGV trailing edge. This is of particular interest since rather complex ice shapes have been observed in that region.

compressor↗

DOE OSTI2026

Alleviating prior dependencies for DESI DR1 clustering fits through reparameterization

Bayesian analyses of the full-shape clustering of Dark Energy Spectroscopic Instrument (DESI) Data Release 1 (DR1) exhibit prior-volume projection effects, whereby weakly constrained nuisance parameters of the Effective Field Theory of Large Scale Structure (EFTofLSS) shift marginalized cosmological posteriors away from the posterior maximum. We reanalyze DESI DR1 power spectrum multipoles using two complementary mitigation strategies: (i) nonlinear orthogonalization to decorrelate nuisance and cosmological parameter priors, and (ii) a fully reparameterization-invariant Jeffreys prior over all EFTofLSS coefficients, evaluated on-the-fly via closed-form Jacobians. Including data from DESI, Big-Bang Nuclesynthesis and a constraint on $n_{\mathrm{s}}$, baseline priors lead to multi-$σ$ projection in the Hubble parameter $H_{0}$ and dark energy equation of state parameters $w_{0}$ and $w_{a}$; the Jeffreys prior successfully recenters these posteriors to enclose the maximum a posteriori estimate within the 68% credible regions, demonstrating clear mitigation of projection effects for these late-time expansion parameters. A hybrid Jeffreys+baseline-Gaussian configuration controls residual over-broad tails in the physical cold dark matter density $ω_{\mathrm{c}}$ while preserving the volume correction, and is our favoured approach. We compare the credible intervals derived using our methodology to those obtained using Halo Occupation Distribution (HOD)-informed priors and to confidence intervals derived using frequentist profile likelihood analyses, finding agreement in both central values and degeneracy directions in the $w_{0}$--$w_{a}$ plane. This demonstrates that, once projection effects are properly controlled, we can make robust inferences about the late-time cosmological expansion independent of the statistical framework adopted.

Bonici, M. [Waterloo U.; Perimeter Inst. Theor. Ph↗

DOE OSTI2025

EVALUATION OF OPERATION TEMPERATURES UNDER NATURAL CONVECTION HELIUM FLOW IN A CONFINED CAVITY

The Spallation Neutron Source (SNS) is a high-power accelerator-based pulsed neutron source led by Oak Ridge National Laboratory (ORNL) to achieve high fluxes of neutrons for scientific experiments. Active and passive cooling of the systems and parts forming the SNS have been considered to warrant the safe operation of the facility. The diverse cooling systems make use of conjugated heat transfer mechanisms to provide a stable operation temperature for all components in the machine. Thermal power deposited into stainless-steel piping lines due to particle radiation may reach values of up to 1.2 W/cc in the regions located closer to the center of the lower IRP. These energy deposition levels, in not actively cooled components, such as the transfer-line-outer-vacuum-layer may increase the temperature of the component beyond design requirement limitations. The evaluation of the operation temperatures for the former components relies in the assumption that a low-pressure helium atmosphere provides enough heat removal capacity based on natural convection phenomena. In this work, the evaluation of steady state temperatures in components such as the CMS transfer lines has been evaluated using computational fluid dynamics (CFD), analytical correlations and experimental measurements. The companion experiments were conducted in a closed helium system at pressures varying from 1.1 to 1.5 bar. A copper rod was affixed horizontally between viewing windows and heated at constant power, and measurements were made of both the rod temperature and ambient temperature via a system fiberoptic distributed temperature sensors and RTDs. It was found that the measured heat transfer coefficients agree well with the predictions of Churchill and Chu correlations across the range of cases considered. Additionally, the ambient helium volume above the rod was imaged via background oriented schlieren (BOS), and these data was used to determine the line-averaged density gradients in this region. These gradients were compared to simulation data to validate the predictions of natural convection simulations.

Dominguez-Ontiveros, Elvis [ORNL] (ORCID:000000018↗

DOE OSTI2021

Thermal and Mechanical Design of a High-Voltage Power Electronics Package

This paper presents the thermal and mechanical design aspects of a power electronics package with 5-kV GaN devices. Through finite element analyses, we investigated the impact of different cooling configurations and device locations on the thermal performance and reliability of the package. We found that placing the devices closer to the direct bond copper substrate as opposed to a centered approach in the proposed double-sided cooling configuration resulted in improved heat dissipation. This approach also reduced the total number of attachment layers, thereby likely improving the reliability of the package. Furthermore, simulations revealed that the device location had a negligible impact on the thermomechanical behavior of the attachment layers, as they are more prone to the local coefficient of thermal expansion mismatch.

electronic packaging↗