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DOE OSTI2024

Green-Field Geothermal/Solar Designs (Cooperative Research and Development Final Report)

Geothermal power (GEO) and concentrating solar power (CSP) can be integrated to obtain the best aspects of both systems. The green-field design will utilize the full potential of the higher-temperature CSP sector by having a topping solar steam turbine and a bottoming geothermal cycle. In the proposed hybrid cycle, geothermal energy can be converted into electricity at a higher cycle efficiency because of the high-temperature topping cycle during the daytime. CSP benefits from lower-cost solar collectors, a less expensive topping turbine, and virtual elimination of the heat rejection system cost. The green-field case study will be focused on a geothermal resource site which will deliver the 160 - 220 °C pressurized brine at the inlet of power block. While the case study will look at a single case study, the tools to be developed as part of the project will be available to model annual performance of GEO/CSP hybrids for new greenfield projects (may also be applied to certain types of brown-field retrofits). The evaluation tools will also calculate important economic parameters such as the levelized cost of energy (LCOE) and the internal rate of return (IRR).

14 SOLAR ENERGY↗

NASA NTRS1987

A generalized hybrid transfinite element computational approach for nonlinear/linear unified thermal/structural analysis

The present paper describes the development of a new hybrid computational approach for applicability for nonlinear/linear thermal structural analysis. The proposed transfinite element approach is a hybrid scheme as it combines the modeling versatility of contemporary finite elements in conjunction with transform methods and the classical Bubnov-Galerkin schemes. Applicability of the proposed formulations for nonlinear analysis is also developed. Several test cases are presented to include nonlinear/linear unified thermal-stress and thermal-stress wave propagations. Comparative results validate the fundamental capablities of the proposed hybrid transfinite element methodology.

Tamma, Kumar K.↗

DOE OSTI2025

Parallel-in-time quantum simulation via Page and Wootters quantum time

In the past few decades, researchers have created a veritable zoo of quantum algorithms by drawing inspiration from classical computing, information theory, and even from physical phenomena. Here, we present quantum algorithms for parallel-in-time simulations that are inspired by the Page and Wootters formalism. In this framework, and thus in our algorithms, the classical time variable of quantum mechanics is promoted to the quantum realm by introducing a Hilbert space of “clock” qubits that are then entangled with the “system” qubits. We show that our algorithms can compute temporal properties over 𝑁 different times of many-body systems by only using log⁡(𝑁) clock qubits. As such, we achieve an exponential trade-off between time and spatial complexities. In addition, we rigorously prove that the entanglement created between the system qubits and the clock qubits has operational meaning, as it encodes valuable information about the system’s dynamics. We also provide a circuit depth estimation of all the protocols, showing a running time advantage in computation times over traditional sequential-in-time algorithms. In particular, for the case when the dynamics are determined by the Aubry-Andre model, we present a hybrid method for which our algorithms have a depth that only scales as 𝒪⁡(log⁡(𝑁)⁢𝑛). As a by-product, we can relate the previous schemes to the problem of equilibration of an isolated quantum system, thus indicating that our framework enables a new dimension for studying dynamical properties of many-body systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1978

Finite elements and finite differences for transonic flow calculations

The paper reviews the chief finite difference and finite element techniques used for numerical solution of nonlinear mixed elliptic-hyperbolic equations governing transonic flow. The forms of the governing equations for unsteady two-dimensional transonic flow considered are the Euler equation, the full potential equation in both conservative and nonconservative form, the transonic small-disturbance equation in both conservative and nonconservative form, and the hodograph equations for the small-disturbance case and the full-potential case. Finite difference methods considered include time-dependent methods, relaxation methods, semidirect methods, and hybrid methods. Finite element methods include finite element Lax-Wendroff schemes, implicit Galerkin method, mixed variational principles, dual iterative procedures, optimal control methods and least squares.

Hafez, M. M.↗

NASA NTRS1980

Design study of toroidal traction CVT for electric vehicles

The development, evaluation, and optimization of a preliminary design concept for a continuously variable transmission (CVT) to couple the high-speed output shaft of an energy storage flywheel to the drive train of an electric vehicle is discussed. An existing computer simulation program was modified and used to compare the performance of five CVT design configurations. Based on this analysis, a dual-cavity full-toroidal drive with regenerative gearing is selected for the CVT design configuration. Three areas are identified that will require some technological development: the ratio control system, the traction fluid properities, and evaluation of the traction contact performance. Finally, the suitability of the selected CVT design concept for alternate electric and hybrid vehicle applications and alternate vehicle sizes and maximum output torques is determined. In all cases the toroidal traction drive design concept is applicable to the vehicle system. The regenerative gearing could be eliminated in the electric powered vehicle because of the reduced ratio range requirements. In other cases the CVT with regenerative gearing would meet the design requirements after appropriate adjustments in size and reduction gearing ratio.

Raynard, A. E.↗

NASA NTRS2002

Message Passing and Shared Address Space Parallelism on an SMP Cluster

Currently, message passing (MP) and shared address space (SAS) are the two leading parallel programming paradigms. MP has been standardized with MPI, and is the more common and mature approach; however, code development can be extremely difficult, especially for irregularly structured computations. SAS offers substantial ease of programming, but may suffer from performance limitations due to poor spatial locality and high protocol overhead. In this paper, we compare the performance of and the programming effort required for six applications under both programming models on a 32-processor PC-SMP cluster, a platform that is becoming increasingly attractive for high-end scientific computing. Our application suite consists of codes that typically do not exhibit scalable performance under shared-memory programming due to their high communication-to-computation ratios and/or complex communication patterns. Results indicate that SAS can achieve about half the parallel efficiency of MPI for most of our applications, while being competitive for the others. A hybrid MPI+SAS strategy shows only a small performance advantage over pure MPI in some cases. Finally, improved implementations of two MPI collective operations on PC-SMP clusters are presented.

Shan, Hongzhang↗

NASA NTRS2017

Sensitivity of WFIRST Coronagraph Broadband Contrast Performance to DM Actuator Errors

The WFIRST/AFTA 2.4 m space telescope currently under study includes a stellar coronagraph for the imaging and the spectral characterization of extrasolar planets. The coronagraph employs sequential deformable mirrors to compensate for phase and amplitude errors. Using the optical model of an Occulting Mask Coronagraph (OMC) testbed at the Jet Propulsion Laboratory (JPL), we have investigated the sensitivity of a Hybrid Lyot Coronagraph (HLC) broadband contrast performance to DM actuator errors and actuator limits. Considered case include drifts in actuator gains or actuator response curves, paired actuators, as well as the limits imposed by a neighboring-actuator rule. Actual data about the actuator drifts and the knowledge about the paired-actuators obtained in several DM characterization experiments conducted at JPL, as well as the neighboring-actuator rule implemented on the OMC testbed were used in simulations. We obtained good agreement between the model prediction and the testbed measurement in terms of static HLC contrast floor and contrast chromaticity.

Sidick, Erkin↗

DOE OSTI2023

OpenACC Unified Programming Environment for Multi-hybrid Acceleration with GPU and FPGA

Accelerated computing in HPC such as with GPU, plays a central role in HPC nowadays. However, in some complicated applications with partially different performance behavior is hard to solve with a single type of accelerator where GPU is not the perfect solution in these cases. We are developing a framework and transpiler allowing the users to program the codes with a single notation of OpenACC to be compiled for multi-hybrid accelerators, named MHOAT (Multi-Hybrid OpenACC Translator) for HPC applications. MHOAT parses the original code with directives to identify the target accelerating devices, currently supporting NVIDIA GPU and Intel FPGA, dispatching these specific partial codes to background compilers such as NVIDIA HPC SDK for GPU and OpenARC research compiler for FPGA, then assembles binaries for the final object with FPGA bitstream file. In this paper, we present the concept, design, implementation, and performance evaluation of a practical astrophysics simulation code where we successfully enhanced the performance up to 10 times faster than the GPU-only solution.

Boku, Taisuke↗

NASA NTRS2003

Discrete Abstractions of Hybrid Systems: Verification of Safety and Application to User-Interface Design

Human interaction with a complex control system involves the user, the automation’s discrete mode logic, and the underlying continuous dynamics of the physical system. The user-interface of such systems always displays a reduced set of information about the entire system. Designing interfaces such that all the pertinent information is available and assuring that this information is correct is important for any user-interface, but especially so for safety-critical systems such as automotive systems and autopilots. Here we describe a methodology for the analysis of hybrid control systems that incorporate user interaction, with the goal of assuring that the information provided to the user is correct. That is, the user-interface must contain all information necessary to safely complete a desired procedure or task. We begin with a hybrid system model which incorporates discrete mode logic as well as nonlinear continuous dynamics. Using a hybrid computational tool for reachability, we find the largest region of the state-space in which we can guarantee the state of the system can always remain – this is the safe region of operation. By implementing a controller for safety which arises from this computation, we mathematically guarantee that this safe region is invariant, meaning that the system will always remain within the safe region if the determined controller is used on the boundary of the safe region. Verification within a hybrid framework allows us to account for the continuous dynamics underlying the discrete representations displayed to the user. Using the computed invariant regions as discrete states, we can abstract a discrete event system from this hybrid system with safety restrictions. This abstraction can be used to determine what information must be provided on the display. Furthermore, in cases in which an interface already exists, the abstraction provides the necessary input into existing interface verification methods. We provide two examples: a car traveling through a yellow light at an intersection and an aircraft autopilot in an automatic landing/go-around maneuver. The examples demonstrate the applicability of this methodology to hybrid systems that have operational constraints we can pose in terms of safety. This methodology differs from existing work in hybrid system verification in that we directly account for the user’s interactions with the system.

Meeko Oishi↗

NASA NTRS1976

Lamination residual stresses in hybrid composites, part 1

An experimental investigation was conducted to study lamination residual stresses for various material and loading parameters. The effects of hybridization on residual stresses and residual properties after thermal cycling under load were determined in angle-ply graphite/Kevlar/epoxy and graphite/S-glass/epoxy laminates. Residual strains in the graphite plies are not appreciably affected by the type and number of hybridizing plies. Computed residual stresses at room temperature in the S-glass plies reach values up to seventy-five percent of the transverse strength of the material. Computed residual stresses in the graphite plies exceed the static strength by approximately ten percent. In the case of Kevlar plies, computed residual stresses far exceed the static strength indicating possible early failure of these plies. Static testing of the hybrids above indicates that failure is governed by the ultimate strain of the graphite plies. In thermally cycled hybrids, in general, residual moduli were somewhat lower and residual strengths were higher than initial values.

Daniel, I. M.↗

DOE OSTI2021

Hybrid Machine Learning for Scanning Near-Field Optical Spectroscopy

The underlying physics behind an experimental observation often lacks a simple analytical description. This is especially the case for scanning probe microscopy techniques, where the interaction between the probe and the sample is nontrivial. Realistic modeling to include the details of the probe is always exponentially more difficult than its "spherical cow" counterparts. On the other hand, a well-trained artificial neural network based on real data can grasp the hidden correlation between the signal and sample properties. In this work, we show that, via a combination of model calculation and experimental data acquisition, a physics-infused hybrid neural network can predict the tip-sample interaction in the widely used scattering-type scanning near-field optical microscope. This hybrid network provides a long-sought solution for accurate extraction of material properties from tip-specific raw data. The methodology can be extended to other scanning probe microscopy techniques as well as other data-oriented physical problems in general.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Hybridization History and Repetitive Element Content in the Genome of a Homoploid Hybrid, Yucca gloriosa (Asparagaceae)

Hybridization in plants results in phenotypic and genotypic perturbations that can have dramatic effects on hybrid physiology, ecology, and overall fitness. Hybridization can also perturb epigenetic control of transposable elements, resulting in their proliferation. Understanding the mechanisms that maintain genomic integrity after hybridization is often confounded by changes in ploidy that occur in hybrid plant species. Homoploid hybrid species, which have no change in chromosome number relative to their parents, offer an opportunity to study the genomic consequences of hybridization in the absence of change in ploidy. Yucca gloriosa (Asparagaceae) is a young homoploid hybrid species, resulting from a cross between Yucca aloifolia and Yucca filamentosa. Previous analyses of ~11 kb of the chloroplast genome and nuclear-encoded microsatellites implicated a single Y. aloifolia genotype as the maternal parent of Y. gloriosa. Using whole genome resequencing, we assembled chloroplast genomes from 41 accessions of all three species to re-assess the hybrid origins of Y. gloriosa. We further used re-sequencing data to annotate transposon abundance in the three species and mRNA-seq to analyze transcription of transposons. The chloroplast phylogeny and haplotype analysis suggest multiple hybridization events contributing to the origin of Y. gloriosa, with both parental species acting as the maternal donor. Transposon abundance at the superfamily level was significantly different between the three species; the hybrid was frequently intermediate to the parental species in TE superfamily abundance or appeared more similar to one or the other parent. In only one case—Copia LTR transposons—did Y. gloriosa have a significantly higher abundance relative to either parent. Expression patterns across the three species showed little increased transcriptional activity of transposons, suggesting that either no transposon release occurred in Y. gloriosa upon hybridization, or that any transposons that were activated via hybridization were rapidly silenced. The identification and quantification of transposon families paired with expression evidence paves the way for additional work seeking to link epigenetics with the important trait variation seen in this homoploid hybrid system.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Influence of Hybridization on the Capacity Value of PV and Battery Resources

Utility-scale systems that combine solar photovoltaic and battery (PV+battery) technologies are growing in popularity on the U.S. bulk power system. The business case for PV+battery systems depends on both their ability to reduce costs and their ability to generate value synergies associated with the provision of energy, capacity, and ancillary services. Capacity value can constitute a significant portion of the value PV+battery hybrids provide to the grid (e.g., through avoided or deferred capacity) and receive through revenues. Throughout this report, we define capacity value as the monetary value of a plant's contribution towards the planning reserve margin, which ultimately depends on market rules and structures. PV+battery hybrids do not always fit into current market structures because of the interactions between the PV and battery components. Unique considerations for the capacity value of PV+battery hybrids include the disparate nature of participation models for PV and battery technologies in existing market rules and the potential influence of a shared interconnection capacity; limitations imposed by a shared inverter; limited ability to charge the battery in advance of capacity events if charging must be sourced from the coupled PV; and challenges or uncertainties associated with co-optimizing the operations of the PV and battery components. Grid operators are currently considering how market structures can be modified to optimally determine the capacity value provided by PV+battery systems, and the rules of how they are integrated into markets are still being written. As with any resource, poorly designed rules could increase the cost of energy and reduce system reliability, while well-designed rules could allow markets to receive the full benefits hybrid systems can offer without overcompensating them for the services they provide. Well-designed rules for PV+battery systems must consider the unique aspects listed above, while leveraging the commonalities with existing resource types. In this report, we summarize the technical capability and market rules that influence the capacity value of PV+battery systems. We further discuss the potential tradeoffs between computational complexity and accuracy for the various ways in which grid operators can credit PV+battery systems for capacity. Finally, we describe markets for capacity, survey current wholesale market rules applying to PV+battery systems, and provide a snapshot of the current regulatory landscape for PV+battery systems.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

Replication of Segments of STS-94 as a Lunar Surface Mission

The Artemis program established the goal to land the first woman and first person of color on the Moon, but that is only the beginning of the program. Artemis plans to move towards a sustainable phase, with four crew living on the lunar surface for roughly 30-day annual missions, operating from a Pressurized Rover (PR) and a Surface Habitat (SH). The crew will split up – two living and operating from the PR and the others in the SH, perhaps swapping places halfway through the surface mission. There is a significant degree of maturity surrounding PR operations due to the NASA Desert Research and Technology Studies field tests from 2007-2011. However, there is a degree of uncertainty surrounding activity in the SH, with anecdotal speculation among some Artemis lunar surface engineers that the SH crew might not be fully utilized. Contrary to this belief, there is evidence in US human spaceflight history that the SH crew may instead be extremely busy. In particular, portions of the STS-94 Microgravity Science Lab mission demonstrate a science-based use case for crew activity in the SH. Fifteen Spacelab missions (not including STS-83, which was terminated early due to a fuel cell problem and reflown as STS-94) and eight Spacehab missions used the previously mentioned modules as science labs to expand the science capability of shuttle orbital missions, most flown prior to the assembly of the International Space Station. STS-94 is selected as an example of these flights. STS-94 was a 15.7-day mission with a 7-person crew. The crew operated in split 12-hour shifts, enabling 24-hour science operations. STS-94 used the space shuttle Columbia with the Spacelab module and Extended Duration Orbiter pallet in the cargo bay. The STS-94 physical science investigations were intended to explore various physical aspects of microgravity. These same investigations can be conducted on the Moon to explore 1/6 gravity. The Spacelab module was outfitted with several key facilities to enable this research: Large Isothermal Furnace, Combustion Module-1, Droplet Combustion Experiment, EXPRESS Rack, TEMPUS, Gravity Measurement Devices, and Middeck Glovebox. The current reference concept for the SH is a hybrid inflatable in a vertical orientation. Fairly typical of hybrid inflatables, the SH has an aluminum core pressurized section and a larger inflatable volume, in this case attaching to the top of the core. Two crew will live in the SH at a time, though four can briefly occupy the habitat, such as for contingency or handover activities. This paper will discuss use of the STS-94 physical science equipment in the SH and options for the architectural layout of a resulting physics laboratory. It will also discuss how this laboratory may accompany other science facilities such as biology, human research, and geology. The person hours used by the STS-94 crew to conduct physical science research will be estimated and then mapped to a two-person SH crew, making it possible to determine how many days are required in the SH to complete the lunar gravity physical science investigations at varying levels of crew availability.

STS-94↗

DOE OSTI2021

Anisotropic c – f Hybridization in the Ferromagnetic Quantum Critical Metal CeRh 6 Ge 4

Heavy fermion compounds exhibiting a ferromagnetic quantum critical point have attracted considerable interest. Common to two known cases, i.e., CeRh 6 Ge 4 and YbNi 4 P 2 , is that the 4f moments reside along chains with a large interchain distance, exhibiting strong magnetic anisotropy that was proposed to be vital for the ferromagnetic quantum criticality. Here, we report an angle-resolved photoemission study on CeRh 6 Ge 4 in which we observe sharp momentum-dependent 4f bands and clear bending of the conduction bands near the Fermi level, indicating considerable hybridization between conduction and 4f electrons. The extracted hybridization strength is anisotropic in momentum space and is obviously stronger along the Ce chain direction.The hybridized 4f bands persist up to high temperatures, and the evolution of their intensity shows clear band dependence. Our results provide spectroscopic evidence for anisotropic hybridization between conduction and 4f electrons in CeRh 6 Ge 4 , which could be important for understanding the electronic origin of the ferromagnetic quantum criticality.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2010

Hybrid Reynolds-Averaged/Large-Eddy Simulations of a Coaxial Supersonic Free-Jet Experiment

Reynolds-averaged and hybrid Reynolds-averaged/large-eddy simulations have been applied to a supersonic coaxial jet flow experiment. The experiment was designed to study compressible mixing flow phenomenon under conditions that are representative of those encountered in scramjet combustors. The experiment utilized either helium or argon as the inner jet nozzle fluid, and the outer jet nozzle fluid consisted of laboratory air. The inner and outer nozzles were designed and operated to produce nearly pressure-matched Mach 1.8 flow conditions at the jet exit. The purpose of the computational effort was to assess the state-of-the-art for each modeling approach, and to use the hybrid Reynolds-averaged/large-eddy simulations to gather insight into the deficiencies of the Reynolds-averaged closure models. The Reynolds-averaged simulations displayed a strong sensitivity to choice of turbulent Schmidt number. The initial value chosen for this parameter resulted in an over-prediction of the mixing layer spreading rate for the helium case, but the opposite trend was observed when argon was used as the injectant. A larger turbulent Schmidt number greatly improved the comparison of the results with measurements for the helium simulations, but variations in the Schmidt number did not improve the argon comparisons. The hybrid Reynolds-averaged/large-eddy simulations also over-predicted the mixing layer spreading rate for the helium case, while under-predicting the rate of mixing when argon was used as the injectant. The primary reason conjectured for the discrepancy between the hybrid simulation results and the measurements centered around issues related to the transition from a Reynolds-averaged state to one with resolved turbulent content. Improvements to the inflow conditions were suggested as a remedy to this dilemma. Second-order turbulence statistics were also compared to their modeled Reynolds-averaged counterparts to evaluate the effectiveness of common turbulence closure assumptions.

Baurle, Robert A.↗

DOE OSTI2023

Optimal Strategies for Hybrid Battery‐Storage Systems Design

As stationary hybrid energy‐storage systems (HESS) for power systems applications have recently drawn interest due to their enhanced performance and decreasing cost, developing systematic approaches for HESS design while considering controls is gaining traction. Herein, a method is presented to optimally design hybrid battery storage by proposing a mathematical modeling framework, formulated as a mixed integer linear programming model. The optimization is capable of handling multiple subsystems of batteries, considering their economic and technological performance. Decisions involve sizing of the batteries, optimal temporal and strategic dispatch to end uses, and energy sources for charging each battery. The applicability of the model is tested on four case studies for three battery chemistries representing distinct objectives: high‐power, high‐energy, and second life. Compared to traditionally designed battery storage with a homogeneous battery, optimally designed hybrid systems can save 12%–26% of system costs, depending on the nature of the dispatch profile. Findings point to design preference toward the second life battery supplemented with some high‐power or high‐energy battery capacity, or both. With the utilized electricity price structure, customers can experience approximately 10%–35% reduction in their bills.

Koleva, Mariya↗

DOE OSTI2022

Molecular orbital projectors in non-empirical jmDFT recover exact conditions in transition-metal chemistry

Low-cost, non-empirical corrections to semi-local density functional theory are essential for accurately modeling transition-metal chemistry. Here, we demonstrate the judiciously modified density functional theory (jmDFT) approach with non-empirical U and J parameters obtained directly from frontier orbital energetics on a series of transition-metal complexes. We curate a set of nine representative Ti(III) and V(IV) d 1 transition-metal complexes and evaluate their flat-plane errors along the fractional spin and charge lines. We demonstrate that while jmDFT improves upon both DFT+U and semi-local DFT with the standard atomic orbital projectors (AOPs), it does so inefficiently. We rationalize these inefficiencies by quantifying hybridization in the relevant frontier orbitals. To overcome these limitations, we introduce a procedure for computing a molecular orbital projector (MOP) basis for use with jmDFT. We demonstrate this single set of d 1 MOPs to be suitable for nearly eliminating all energetic delocalization and static correlation errors. In all cases, MOP jmDFT outperforms AOP jmDFT, and it eliminates most flat-plane errors at non-empirical values. Unlike DFT+U or hybrid functionals, jmDFT nearly eliminates energetic delocalization and static correlation errors within a non-empirical framework.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗