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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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DOE OSTI2025

Multiphysics Meshfree Degradation Modeling of Energy Storage Materials with Kernel Enrichment

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Renewable Energy Laboratory (NREL), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. Reference: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

25 ENERGY STORAGE↗
DOE OSTI2026

Kernel Enriched Meshfree Multiphysics Degradation Modeling of Energy Storage Materials

Energy storage materials exhibit strong electro-chemo-mechanical coupling and highly anisotropic material properties, contributing to the formation and propagation of micro-cracking during charge/discharge cycling and ultimately diminishing performance and service life. With microstructural images supplied by the National Laboratory of the Rockies (NLR), pixel-based meshfree model construction by the reproducing kernel particle method (RKPM) is used to represent the complex material microstructures that dictate the coupled physics of these systems. Traditional electro-chemo-mechanical models rely on mesh-based finite element methods, which can lead to difficulties in meshing such complex geometries and capturing crack propagation due to mesh dependency. The first kernel enrichment discussed will be the interface modified reproducing kernel (IM-RK) [1, 2], constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The IM-RK is especially useful for areas in which a known discontinuity-type is expected a priori. The second kernel enrichment to be discussed is a neural network-enhanced reproducing kernel (NN-RK) [3, 4], which is introduced to effectively model non-obvious damage and crack propagation in the material microstructures; the location, orientation, and solution transition near a localization are automatically captured by superimposed block-level NN optimizations. This NN enrichment approach allows for effective modeling of localizations via a fixed background discretization, relieving tedious efforts for adaptive refinement in traditional mesh-based methods. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. NN-RK is additionally used to inform how crack opening and closure in turn affect the electro-chemo-mechanical responses in the material microstructure. References: [1] Wang, Y., Baek, J., Tang, Y. et al. "Support vector machine guided reproducing kernel particle method for image-based modeling of microstructures," Comput Mech 73, 907-942 (2024). https://doi.org/10.1007/s00466-023-02394-9. [2] Susuki, K., Allen, J. & Chen, J. S.. "Image-based modeling of coupled electro-chemo-mechanical behavior of Li-ion battery cathode using an interface-modified reproducing kernel particle method," Engineering with Computers (2024). https://doi.org/10.1007/s00366-024-02016-9. [3] Baek, J., Chen, J. S., Susuki, K., "Neural Network enhanced Reproducing Kernel Particle Method for Modeling Localizations," International Journal for Numerical Methods in Engineering, Vol. 123, 4422-4454 (2022). https://doi.org/10.1002/nme.7040.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2022

JWST/MIRI Coronagraphic Performances as Measured on-Sky

Context . Characterization of directly imaged exoplanets is one of the most eagerly anticipated science functions of the James Webb Space Telescope . MIRI, the mid-IR instrument, has the capability to provide unique spatially resolved photometric data points in a spectral range never before achieved for such objects. Aims . We aim to present the very first on-sky contrast measurements of the MIRI coronagraphs. In addition to a classical Lyot coronagraph at the longest wavelength, this observing mode implements the concept of the four-quadrant phase mask for the very first time in a space telescope. Methods . We observed single stars together with a series of reference stars to measure raw contrasts as they are delivered on the detector, as well as reference-subtracted contrasts. Results . The MIRI coronagraphs achieve raw contrasts better than 10 −3 at the smallest angular separations (within 1″) and about 10 −5 farther out (beyond 5 ~ 6″). Subtracting the residual diffracted light left behind the coronagraph has the potential to bring the final contrast down to the background- and detector-limited noise floor at most angular separations (a few times 10 −5 at less than 1″). Conclusions . The MIRI coronagraphs behave as expected from simulations. In particular, the raw contrasts for all four coronagraphs are fully consistent with the diffractive model. Contrasts obtained by subtracting reference stars also meet expectations and are fully demonstrated for two four-quadrant phase masks (F1065C and F1140C). The worst contrast, measured at F1550C, is very likely due to a variation in the phase aberrations at the primary mirror during the observations, and not an issue with the coronagraph itself. We did not perform reference star subtraction with the Lyot mask at F2300C, but we anticipate that it would bring the contrast down to the noise floor.

High angular resolution instrumentation↗
DOE OSTI2022

Octane Requirements of Lean Mixed-Mode Combustion in a Direct-Injection Spark-Ignition Engine

Here, this study investigates the octane requirements of a hybrid flame propagation and controlled autoignition mode referred to as mixed-mode combustion (MMC), which allows for strong control over combustion parameters via a spark-initiated deflagration phase. Due to the throughput limitations associated with both experiments and 3-D computational fluid dynamics calculations, a hybrid 0-D and 1-D modeling methodology was developed, supported by experimental validation data. This modeling approach relied on 1-D, two-zone engine simulations to predict bulk in-cylinder thermodynamic conditions over a range of engine speeds, compression ratios, intake pressures, trapped residual levels, fueling rates, and spark timings. Those predictions were then transferred to a 0-D chemical kinetic model, which was used to evaluate the autoignition behavior of fuels when subjected to temperature–pressure trajectories of interest. Finally, the predicted autoignition phasings were screened relative to the progress of the modeled deflagration-based combustion in order to determine if an operating condition was feasible or infeasible due to knock or stability limits. The combined modeling and experimental results reveal that MMC has an octane requirement similar to modern stoichiometric spark-ignition engines in that fuels with high research octane number (RON) and high octane sensitivity (S) enable higher loads. Experimental trends with varying RON and S were well predicted by the model for 1000 and 1400 rpm, confirming its utility in identifying the compatibility of a fuel’s autoignition behavior with an engine configuration and operating strategy. However, the model was not effective in predicting (nor designed to predict) operability limits due to cycle-to-cycle variations, which experimentally inhibited operation of some fuels at 2000 rpm. Putting the operable limits and efficiency from MMC in the context of a state-of-the-art engine, the MMC showed superior efficiencies over the range investigated, demonstrating the potential to further improve fuel economy.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Machine Learning Surrogates of a Fuel Matrix Degradation Process Model for Performance Assessment of a Nuclear Waste Repository

Spent nuclear fuel repository simulations are currently not able to incorporate detailed fuel matrix degradation (FMD) process models due to their computational cost, especially when large numbers of waste packages breach. The current paper uses machine learning to develop artificial neural network and k-nearest neighbor regression surrogate models that approximate the detailed FMD process model while being computationally much faster to evaluate. Further, using fuel cask temperature, dose rate, and the environmental concentrations of CO 3 2- , O 2 , Fe 2+ , and H 2 as inputs, these surrogates show good agreement with the FMD process model predictions of the UO 2 degradation rate for conditions within the range of the training data. A demonstration in a full-scale shale repository reference case simulation shows that the incorporation of the surrogate models captures local and temporal environmental effects on fuel degradation rates while retaining good computational efficiency.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Modeling plasma toroidal flow profile control via NTV torque with n = 2 3D fields in MAST-U

Toroidal modeling utilizing the MARS-Q code shows that large (compared to electromagnetic torque) neoclassical toroidal viscous (NTV) torque can be achieved in the plasma core region in reference MAST(-U) L-mode plasmas, by applying the n=2 (n is the toroidal mode number) 3-D fields generated by the magnetic coils used for controlling the edge localized mode and/or by the error field correction coils. Large NTV torque, occurring at relatively slow plasma flow, in combination with strong variation of the torque amplitude versus the coil phasing of the 3-D coils, offers a tool to control the plasma toroidal rotation profile in spherical tokamaks. To effectively employ the toroidal NTV torque, the potentially fast initial flow needs to first be damped by 3-D fields. In conclusion, MARS-Q quasi-linear initial value simulations demonstrate that this is achievable in MAST-U, within the designed 3-D coil current capability for the device.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Collaborative Project. 3D Radiative Transfer Parameterization Over Mountains/Snow for High-Resolution Climate Models. Fast physics and Applications

Under the support of the aforementioned DOE Grant, we have made two fundamental contributions to atmospheric and climate sciences: (1) Develop an efficient 3-D radiative transfer parameterization for application to intense and intricate inhomogeneous mountain/snow regions. (2) Innovate a stochastic parameterization for light absorption by internally mixed black carbon and dust particles in snow grains for understanding and physical insight into snow albedo reduction in climate models. With reference to item (1), we divided solar fluxes reaching mountain surfaces into five components: direct and diffuse fluxes, direct- and diffuse-reflected fluxes, and coupled mountain-mountain flux. “Exact” 3D Monte Carlo photon tracing computations can then be performed for these solar flux components to compare with those calculated from the conventional plane-parallel (PP) radiative transfer program readily available in climate models. Subsequently, Parameterizations of the deviations of 3D from PP results for five flux components are carried out by means of the multiple linear regression analysis associated with topographic information, including elevation, solar incident angle, sky view factor, and terrain configuration factor. We derived five regression equations with high statistical correlations for flux deviations and successfully incorporated this efficient parameterization into WRF model, which was used as the testbed in connection with the Fu-Liou-Gu PP radiation scheme that has been included in the WRF physics package. Incorporating this 3D parameterization program, we conducted simulations of WRF and CCSM4 to understand and evaluate the mountain/snow effect on snow albedo reduction during seasonal transition and the interannual variability for snowmelt, cloud cover, and precipitation over the Western United States presented in the final report. With reference to item (2), we developed in our previous research a geometric-optics surface-wave approach (GOS) for the computation of light absorption and scattering by complex and inhomogeneous particles for application to aggregates and snow grains with external and internal mixing structures. We demonstrated that a small black (BC) particle on the order of 1 μm internally mixed with snow grains could effectively reduce visible snow albedo by as much as 5–10%. Following this work and within the context of DOE support, we have made two key accomplishments presented in the attached final report.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2009

Possible Deficiencies in Predicting Transonic Aerodynamics on the X-43A

The initial X-43A flight test, June 2, 2001, resulted in a mishap and loss of the vehicle. A mishap investigation board (MIB) report and findings, including the established root cause, were publicly released on July, 23, 2003. The X-43A Flight 1 Hyper-X Launch Vehicle (HXLV) failed because the vehicle control system design was deficient for the trajectory flown due to inaccurate analytical models (Pegasus heritage and HXLV specific), which overestimated the (control) system margin ? X-43A Mishap Investigation Report, Vol. I. ? included as Reference 1. Several specific errors were noted, 1) HXLV aerodynamics ? failure to model changes to wing, fin and rudder airfoil shapes due to addition of thermal protection system (TPS); 2) Fin actuation system (FAS) modeling ? under prediction of the control surface hinge moments and FAS compliance; and 3) Parametric uncertainties ? insufficient variation in the aerodynamic, FAS and control system models. In response to the MIB findings, the X-43A program has been working RTF through an approved Corrective Action Plan (CAP) over the last two years.

Labbe, Steven G.↗
NASA NTRS2019

Soil Moisture Active/Passive (SMAP) L-Band Microwave Radiometer Post-Launch Calibration Upgrade

The Soil Moisture Active/Passive (SMAP) microwave radiometer is a fully polarimetric L-band radiometer flown on theSMAP satellite in a 6 AM/6 PM sun-synchronous orbit at 685 km altitude. After the SMAP L1B_TB data product version 3 was released in 2016, the radiometer has been undergoing further calibration and validation with the goal of reducing both the bias in the cold-sky measurements and calibration drift in the global ocean measurements experienced during eclipse seasons in data product version 3. The post-launch calibration algorithm has been upgraded by using new estimates of the reflector emissivity as well as using multiple scenes to calibrate the radiometer internal reference sources and antenna gain simultaneously. In addition, a correction offset is applied to the ocean roughness model for horizontal polarization based on nadir observations. Test and validation results show that the goal is achieved (e.g., biases are removed and the calibration stability achieved for data release version 4 is 0.1 K(rms) over both the global ocean and CS).

Calibratio↗
NASA NTRSDate not supplied

Did an Ancient Habitable Venus Provide the Seeds for Life Today?

Recent possible detections of Phosphine in the Venusian atmosphere [1,2] have spurred interest in the potential for life in the clouds of Venus given the limited number of abiotic alternatives determined thus far [3]. A number of theories have been posited as to how life could have arisen in the cloud decks of Venus (e.g. [4] and references therein) and how it might thrive in a supposedly hostile environment [5]. Over the past few years we have used forward modeling to investigate the possibilities of a temperate Venusian climate in its deep past. This affords us the opportunity to discuss the possibility for an early habitable Venus and its implications for habitability in the cloud layers today.

habitability↗
DOE OSTI2024

“Best” Iterative Coupled-Cluster Triples Model? More Evidence for 3CC

To follow up on the unexpectedly good performance of several coupled-cluster models with approximate inclusion of 3-body clusters we performed a more complete assessment of the 3CC method for accurate computational thermochemistry in the standard HEAT framework. New spin-integrated implementation of the 3CC method applicable to closed- and open-shell systems utilizes a new automated toolchain for derivation, optimization, and evaluation of operator algebra in many-body electronic structure. We found that with a double-ζ basis set the 3CC correlation energies and their atomization energy contributions are almost always more accurate (with respect to the CCSDTQ reference) than the CCSDT model as well as the standard CCSD(T) model. The mean absolute errors in cc-pVDZ {3CC, CCSDT, and CCSD(T)} electronic (per valence electron) and atomization energies relative to the CCSDTQ reference for the HEAT data set, were {24, 70, 122} μE h /e and {0.46, 2.00, 2.58} kJ/mol, respectively. The mean absolute errors in the complete-basis-set limit {3CC, CCSDT, and CCSD(T)} atomization energies relative to the HEAT model reference, were {0.52, 2.00, and 1.07} kJ/mol, The significant and systematic reduction of the error by the 3CC method and its lower cost than CCSDT suggests it as a viable candidate for post- CCSD(T) thermochemistry applications, as well as the preferred alternative to CCSDT in general.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Reply to "Comment on 'A Self-Consistent Model of the Interacting Ring Current Ions and Electromagnetic Ion Cyclotron Waves, Initial Results: Waves and Precipitation Fluxes' and 'Self-Consistent Model of the Magnetospheric Ring Current and Propagating Electromagnetic Ion Cyclotron Waves: Waves in Multi-Ion Magnetosphere' by Khazanov et al. et al."

It is well-known that the effects of electromagnetic ion cyclotron (EMIC) waves on ring current (RC) ion and radiation belt (RB) electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wavenormal angle, wave energy, and the form of wave spectral energy density. The consequence is that accurate modeling of EMIC waves and RC particles requires robust inclusion of the interdependent dynamics of wave growth/damping, wave propagation, and[ particles. Such a self-consistent model is being progressively developed by Khazanov et al. [2002, 2006, 2007]. This model is based on a system of coupled kinetic equations for the RC and EMIC wave power spectral density along with the ray tracing equations. Thome and Home [2007] (hereafter referred to as TH2007) call the Khazanov et al. [2002, 2006] results into question in their Comment. The points in contention can be summarized as follows. TH2007 claim that: (1) "the important damping of waves by thermal heavy ions is completely ignored", and Landau damping during resonant interaction with thermal electrons is not included in our model; (2) EMIC wave damping due to RC O + is not included in our simulation; (3) non-linear processes limiting EMIC wave amplitude are not included in our model; (4) growth of the background fluctuations to a physically significantamplitude"must occur during a single transit of the unstable region" with subsequent damping below bi-ion latitudes,and consequently"the bounce averaged wave kinetic equation employed in the code contains a physically erroneous 'assumption". Our reply will address each of these points as well as other criticisms mentioned in the Comment. TH2007 are focused on two of our papers that are separated by four years. Significant progress in the self-consistent treatment of the RC-EMIC wave system has been achieved during those years. The paper by Khazanov et al. [2006] presents the latest version of our model, and in this Reply we refer mostly to this paper.

Khazanov, G. V.↗
DOE OSTI2015

Improving the Accuracy of PCMI Simulations with More Realistic Geometry and Material Models

Assessment of fuel performance codes is an endeavour that requires re-evaluation as new simulation capabilities become available. BISON, the finite element-based fuel performance code in development at Idaho National Laboratory, has been used to simulate a variety of experiments. Calculations from these simulations are compared to experimental measurements for the purpose of evaluating the progress of code development. One such experiment, from the Risø 3 Fission Gas Project, provides measurements of fission gas release and clad diameter. A subset of the Risø3 Fission Gas Project, which is referred to here, consisted of a base-irradiation period of a full-length fuel rod in the Quad-Cities-1 BWR. The base irradiation test was followed by a “bump test”, in which a sub-section of the original rod was subjected to a strongly non-uniform axial power profile. The bump test took place in Risø test reactor DR3 in a water-cooled HP1 rig under BWR conditions. This experiment was chosen because it allows for an evaluation of several aspects of BISON, including fully coupled thermo-mechanics, contact, and several nonlinear material models. A summary of simulation results and comparison to the experiment data has been published previously, however, this paper shows new results with recently added features to BISON. These new features include representing the pellets as discrete entities rather than a smeared column, including primary creep in the clad creep model, and the coupling of fuel gaseous swelling to fission gas release. Comparing to previous results, the addition of theses features has narrowed the gap between BISON calculations and experimental measurements for final clad diameter and fission gas release.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Development of a high current density, high temperature superconducting cable for pulsed magnets

Abstract A low AC loss Rare Earth Barium Copper Oxide (REBCO) cable, based on the VIPER cable technology has been developed by Commonwealth Fusion Systems for use in high field, REBCO based tokamaks. The new cable is composed of partitioned and transposed copper ‘petals’ shaped to fit together in a circular pattern with each petal containing a REBCO tape stack and insulated from each other to reduce AC losses. A stainless steel jacket adds mechanical robustness—also serving as a vessel for solder impregnation—while a tube runs through the middle for cooling purposes. Additionally, fiber optic sensors are placed under the tape stacks for quench detection. To qualify this design, a series of experiments were conducted as part of the SPARC tokamak Central Solenoid Model Coil program—to retire the risks associated with full scale, fast ramping, high flux HTS Central Solenoid (CS) and Poloidal Field (PF) coils for tokamak fusion power plants and net energy demonstrators. These risk study and risk reduction experiments include (1) AC loss measurement and model validation in the range of ~5 T/s, (2) an IxB electromagnetic loading of over 850 kN/m at the cable level and up to 300 kN/m at the stack level, (3) a transverse compression resilience of over 350 MPa, (4) manufacturability at tokamak relevant speeds and scales, (5) cable to cable joint performance, (6) fiber optic based quench detection speed, accuracy, and feasibility, and (7) overall winding pack integration and magnet assembly. The result is a cable technology, now referred to as PIT VIPER, with AC losses that measure fifteen times lower (at ~5 T/s) than its predecessor technology; a 2% or lower degradation of critical current (Ic) at high IxB electromagnetic loads; no detectable Ic degradation up to 570 MPa of transverse compression on the cable unit cell; end to end magnet manufacturing, consistently producing Ic values within 7% of the model prediction; cable to cable joint resistances at 20 K on the order of ~15 nΩ; and fast, functional quench detection capabilities that do not involve voltage taps. This cable technology will be tested comprehensively in a Central Solenoid Model Coil to prove its readiness for compact, high field tokamak operation.

Sanabria, Charlie (ORCID:0000000150175309)↗
DOE OSTI2015

New prospects for PV powered water desalination plants: case studies in Saudi Arabia: New prospects for PV powered water desalination plants

Increased water demand and increased drought episodes in the Middle East and other regions necessitate an expansion in desalination projects and create a great market opportunity for photovoltaics (PV). PV-powered desalination has previously been regarded as not being a cost-competitive solution when compared with conventionally powered desalination; however, the decline in PV costs over the last few years has changed this outlook. Here, this article presents up-to-date performance and cost analysis of reverse osmosis (RO) desalination powered with PV connected to the Saudi Arabian grid. Reference cases include relatively small (i.e., producing 6550 m 3 water per day) and large (i.e., 190 000 m 3 /day) desalination plants using seawater at a salinity of 40 000 ppm. We used data from a King Abdullah University for Science and Technology presentation and Hybrid Optimization Model for Electric Renewables 2.81 Energy Modeling Software (HOMER Energy LLC) in tandem with Desalination Economic Evaluation Program 4.0 (International Atomic Energy Agency) desalination software to analyze the techno-economic feasibility of these plants. The first phase of our work entailed a comparison between dual-axis high concentration PV (CPV) equipped with triple junction III/V solar cells and CdTe PV-powered RO systems. The estimated levelized cost of electricity from CPV is 0.16/kWh dollars, whereas that from CdTe PV is $0.10/kWh dollars and 0.09/kWh dollars for fixed-tilt and one-axis tracking systems, respectively. These costs are higher than the price of diesel-based grid electricity in the region because diesel fuel is heavily subsidized in Saudi Arabia.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Pseudorapidity dependence of anisotropic flow and its decorrelations using long-range multiparticle correlations in Pb–Pb and Xe–Xe collisions

The pseudorapidity dependence of elliptic (v 2 ), triangular (v 3 ), and quadrangular (v 4 ) flow coefficients of charged particles measured in Pb–Pb collisions at a centre-of-mass energy per nucleon pair of $\sqrt{S_{NN}}$ = 5.02 TeV and in Xe–Xe collisions at $\sqrt{S_{NN}}$ = 5.44 TeV with ALICE at the LHC are presented. The measurements are performed in the pseudorapidity range − 3.5 < η < 5 for various centrality intervals using two- and multi-particle cumulants with the subevent method. The flow probability density function (p.d.f.) is studied with the ratio of flow coefficient v 2 calculated with four- and two-particle cumulant, and suggests that the variance of flow p.d.f. is independent of pseudorapidity. The decorrelation of the flow vector in the longitudinal direction is probed using two-particle correlations. The results measured with respect to different reference regions in pseudorapidity exhibit differences, argued to be a result of saturating decorrelation effect above a certain pseudorapidity separation, in contrast to previous publications which assign this observation to non-flow effects. The results are compared to 3 + 1 dimensional hydrodynamic and the AMPT transport model calculations. Neither of the models is able to simultaneously describe the pseudorapidity dependence of measurements of anisotropic flow and its fluctuations. The results presented in this work highlight shortcomings in our current understanding of initial conditions and subsequent system expansion in the longitudinal direction. Therefore, they provide input for its improvement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A unified thermionic and thermionic-field emission (TE–TFE) model for ideal Schottky reverse-bias leakage current

We present a unified thermionic emission (TE) and thermionic-field emission (TFE) model for the ideal reverse-bias leakage current in Schottky junctions. The unified TE–TFE analytical model advances upon previous analytical TFE models by Murphy–Good and Padovani–Stratton, which are the two most widely adopted models by the community, in two major aspects: (i) the applicability of the TFE expression therein is extended to near-zero surface electric fields by an error-function correction, allowing for the calculation of the total current by a nontrivial sum of TE (over-the-barrier current) and TFE (below-the-barrier current) contributions; therefore, an accurate description of the TE-to-TFE transition region is captured analytically for the first time; (ii) image-force lowering is considered with much-simpler correction terms. Comparisons with the reference numerical model show that the unified TE–TFE model has excellent accuracy, as well as a 10 000× reduction in computation time. The unified model is further tested against experimental data from Schottky barrier diodes based on Si, 4H-SiC, GaN, and β-Ga 2 O 3 , revealing accurate extractions of barrier heights and correct descriptions of the ideal reverse leakage characteristics. With the extended applicable range, improved accuracy, and computational efficiency, the unified TE–TFE model is highly valuable for the design and analysis of devices based on Schottky junctions, as well as for potential integration in technology computer-aided design (TCAD) tools.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

SubDyn User's Guide and Theory Manual

SubDyn is a time-domain structural-dynamics module for multimember fixed-bottom substructures created by the National Renewable Energy Laboratory (NREL) through U.S. Department of Energy Wind and Water Power Program support. The module has been coupled into the FAST aero-hydro-servo-elastic computer-aided engineering (CAE) tool. Substructure types supported by SubDyn include monopiles, tripods, jackets, and other lattice-type substructures common for offshore wind installations in shallow and transitional water depths. SubDyn can also be used to model lattice support structures for land-based wind turbines. This document is organized as follows. Section 1 details how to obtain the SubDyn and FAST software archives and run both the stand-alone SubDyn or SubDyn coupled to FAST. Section 2 describes the SubDyn input files. Section 3 discusses the output files generated by SubDyn; these include echo files, a summary file, and the results file. Section 4 provides modeling guidance when using SubDyn. The SubDyn theory is covered in Section 5. Section 6 outlines future work, and Section 7 contains a list of references. Example input files are shown in Appendixes A and B. A summary of available output channels are found in Appendix C. Instructions for compiling the stand-alone SubDyn program are detailed in Appendix D. Appendix E tracks the major changes we have made to SubDyn for each public release.

17 WIND ENERGY↗