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DOE OSTI2022

Use of Operating Agreements and Energy Storage to Reduce Photovoltaic Interconnection Costs: Technical and Economic Analysis

This report presents an analytical methodology to identify alternative options to manage interconnection costs and streamline interconnection timelines for distribution system-connected photovoltaic (PV) systems not co-located with load. Specifically, the report details the methodology and results of an analysis that: 1. Identifies potential grid violations that would be induced by a PV system requesting interconnection to a distribution circuit; 2. Identifies multiple technically viable options for mitigating the potential violations, including infrastructure upgrades, downsizing the PV system size, curtailment of PV, and addition of battery energy storage; 3. Defines the required technical operating parameters of the system in order to mitigate all potential violations (the "Operating Envelope"); 4. Compares the economics of each option, from the PV developer's perspective. The analysis supports the ongoing evolution of interconnection standards for combined PV and energy storage systems by providing a methodology to define allowable maximum export limits during each hour. The methodology presented could be used by utilities as part of the interconnection study process, to inform negotiations with DER developers and the drafting of mutually acceptable interconnection agreements. The resulting technical operating parameters could be included as part of the interconnection service agreement (ISA) between the system owner and the utility company. The companion report to this analysis, Gill et al. (2022), details the envisioned framework for the implementation of the technical operating parameters.

14 SOLAR ENERGY↗

DOE OSTI2025

Ground state energy and magnetization curve of a frustrated magnetic system from real-time evolution on a digital quantum processor

Models of interacting many-body quantum systems that may realize new exotic phases of matter, notably quantum spin liquids, are challenging to study using even state-of-the-art classical methods such as tensor network simulations. Quantum computing provides a promising route for overcoming these difficulties to find ground states, dynamics, and more. In this paper, we argue that recently developed hybrid quantum-classical algorithms based on real-time evolution are promising methods for solving a particularly important model in the search for spin liquids, the antiferromagnetic Heisenberg model on the two-dimensional kagome lattice. We show how to construct efficient quantum circuits to implement time evolution for the model and to evaluate key observables on the quantum computer, and we argue that the method has favorable scaling with increasing system size. We then restrict to a 12-spin star plaquette from the kagome lattice and a related 8-spin system, and we give an empirical demonstration on these small systems that the hybrid algorithms can efficiently find the ground state energy and the magnetization curve. For these demonstrations, we use four levels of approximation: exact state vectors, exact state vectors with statistical noise from sampling, noisy classical emulators, and (for the 8-spin system only) real quantum hardware, specifically the Quantinuum H1-1 processor; for the noisy simulations and hardware demonstration, we also employ error mitigation strategies based on the symmetries of the Hamiltonian. Our results strongly suggest that these hybrid algorithms present a promising direction for studying quantum spin liquids and more generally for resolving important unsolved problems in condensed matter theory and beyond.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1980

An assessment of alternative fuel cell designs for residential and commercial cogeneration

A comparative assessment of three fuel cell systems for application in different buildings and geographic locations is presented. The study was performed at the NASA Lewis Center and comprised the fuel cell design, performance in different conditions, and the economic parameters. Applications in multifamily housing, stores and hospitals were considered, with a load of 10kW-1 MW. Designs were traced through system sizing, simulation/evaluation, and reliability analysis, and a computer simulation based on a fourth-order representation of a generalized system was performed. The cells were all phosphoric acid type cells, and were found to be incompatible with gas/electric systems and more favorable economically than the gas/electric systems in hospital uses. The methodology used provided an optimized energy-use pattern and minimized back-up system turn-on.

Wakefield, R. A.↗

NASA NTRS1982

Space-Derived Sewer Monitor

The QuadraScan Longterm Flow Monitoring System is a second generation sewer monitor developed by American Digital Systems, Inc.'s founder Peter Petroff. Petroff, a former spacecraft instrumentation designer at Marshall Space Flight Center, used expertise based on principles acquired in Apollo and other NASA programs. QuadraScan borrows even more heavily from space technology, for example in its data acquisition and memory system derived from NASA satellites. "One-time" measurements are often plagued with substantial errors due to the flow of groundwater absorbed into the system. These system sizing errors stem from a basic informational deficiency: accurate, reliable data on how much water flows through a sewer system over a long period of time is very difficult to obtain. City officials are turning to "permanent," or long-term sewer monitoring systems. QuadraScan offers many advantages to city officials such as the early warning capability to effectively plan for city growth in order to avoid the crippling economic impact of bans on new sewer connections in effect in many cities today.

Source record↗

DOE OSTI2025

Techno-Economic Analysis for the Addition of a Thermal Energy Storage System to a Central Plant

Increasing energy demand and rising peak loads present significant challenges for energy management in commercial and institutional settings. As climate change drives greater cooling needs, central plants must navigate the complex tradeoffs between operational efficiency, cost control, and grid stability. Thermal energy storage (TES) systems offer a viable solution by shifting energy consumption from peak to off-peak periods, thereby reducing peak demand, lowering utility expenses, and improving grid resilience. However, the success of TES implementation hinges on appropriate system sizing, effective control strategies, and alignment with local utility rate structures. This article presents a techno-economic analysis of integrating a chilled water TES system into the central plant at California State University, Dominguez Hills. Drawing on historical load profiles and utility tariffs, we assess three TES sizing approaches and their corresponding control strategies from both energy and economic perspectives. This article utilizes a model-based approach to assess the impact of TES sizing and control strategies on the techno-economic feasibility of integrating TES into an existing central plant. The models employed for this analysis were calibrated using 4 years of historical data. Here, the results demonstrated that utility tariffs and the campus's operational profiles dictate the most feasible sizing and control methods. The findings offer valuable insights for institutions and commercial building managers exploring sustainable energy solutions. By demonstrating how optimized TES strategies can improve operational efficiency while achieving financial savings, this study highlights the potential for TES to align performance with cost effectiveness in real-world applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Mixed stochastic-deterministic density functional theoretic decomposition of Kubo–Greenwood conductivities in the projector augmented wave formalism

Pairing the accuracy of the Kohn–Sham density-functional framework with the efficiency of a stochastic algorithmic approach, mixed stochastic-deterministic density functional theory (mDFT) achieves a favorable computational scaling with system sizes and electronic temperatures. We employ the recently developed mDFT formalism to investigate the dynamic charge-transport properties of systems in the warm dense matter regime. The optical conductivity spectra are computed for single- and multi- component mixtures of carbon, hydrogen, and beryllium using two complementary approaches: Kubo–Greenwood in the mDFT picture and real-time time-dependent mDFT. We further devise a decomposition of the Onsager coefficients leading up to the Kubo–Greenwood spectra to exhibit contributions from the deterministic, stochastic, and mixed electronic state transitions at different incident photon energies.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Two-dimensional coherent spectrum of high-spin models via a quantum computing approach

Here in this work we present and benchmark a quantum computing approach to calculate the two-dimensional coherent spectrum (2DCS) of high-spin models. Our approach is based on simulating their real-time dynamics in the presence of several magnetic field pulses, which are spaced in time. We utilize the adaptive variational quantum dynamics simulation algorithm for the study due to its compact circuits, which enables simulations over sufficiently long times to achieve the required resolution in frequency space. Specifically, we consider an antiferromagnetic quantum spin model that incorporates Dzyaloshinskii-Moriya interactions and single-ion anisotropy. The obtained 2DCS spectra exhibit distinct peaks at multiples of the magnon frequency, arising from transitions between different eigenstates of the unperturbed Hamiltonian. By comparing the one-dimensional coherent spectrum with 2DCS, we demonstrate that 2DCS provides a higher resolution of the energy spectrum. We further investigate how the quantum resources scale with the magnitude of the spin using two different binary encodings of the high-spin operators: the standard binary encoding and the Gray code. At low magnetic fields both encodings require comparable quantum resources, but at larger field strengths the Gray code is advantageous. Numerical simulations for spin models with increasing number of sites indicate a polynomial system-size scaling for quantum resources. Lastly, we compare the numerical 2DCS with experimental results on a rare-earth orthoferrite system. The observed strength of the magnonic high-harmonic generation signals in the 2DCS of the quantum high-spin model aligns well with the experimental data, showing significant improvement over the corresponding mean-field results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1977

A cost-benefit evaluation of the LANDSAT flow-on operational system

Disciplines to benefit from the LANDSAT Follow-on System include agriculture, petroleum and mineral exploration, hydrologic land use, water resources management, forestry, land use planning and monitoring, and soil management. The annual quantified benefits are in the range of 420 to 970 million (FY 1976 dollars). The operational system sized to achieve the quantified benefits involves a single orbiting satellite with a backup satellite in launch readiness. The ground system includes a basic processing system which feeds information to three user systems - one for agriculture, one for hydrologic land use, and a third for all other users. The resulting present worth benefit cost ratio is at least equal to four with a reasonable likelihood of exceeding nine. This benefit cost ratio is evaluated for an infinite time horizon at the discount rate of 10 percent.

Source record↗

NASA NTRS2002

Cryogenic Electronics Being Developed for Space Operation

Planetary exploration missions and deep space probes require electrical power management and control systems that can operate efficiently and reliably in very low temperature environments. Presently, spacecraft operating in the cold environment of deep space carry a large number of radioisotope heating units to maintain the surrounding temperature of the onboard electronics at approximately 20 C. Electronics capable of operation at cryogenic temperatures would not only tolerate the hostile environment of deep space but also reduce system size and weight by eliminating or reducing the radioisotope heating units and their associate structures. Thereby, such electronics would reduce system development as well as launch costs. In addition, power electronic circuits designed for operation at low temperatures are expected to result in more efficient systems than those at room temperature. This improvement results because semiconductor and dielectric materials have better behavior and tolerance in their electrical and thermal properties at low temperatures. The Low Temperature Electronics Program at the NASA Glenn Research Center is focusing on the research and development of electrical components, circuits, and systems suitable for applications in the aerospace environment and in deep space exploration missions. Research is being conducted on devices and systems for reliable use down to cryogenic temperatures. Some of the commercial off-the-shelf as well as developed components that are being characterized include semiconductor switching devices, resistors, magnetics, and capacitors. Semiconductor devices and integrated circuits including digital-to-analog and analog-to-digital converters, dc-dc converters, operational amplifiers, and oscillators are also being investigated for potential use in low-temperature applications. For example, the output response of an advanced oscillator at room temperature and at -190 C is shown. Most oscillators can operate at temperatures down to only -55 C. It can be seen that, for this oscillator, the low temperature of -196 C changed the leading and trailing edges of the oscillator pulses by producing overshoot. The research and development efforts performed under the Low Temperature Electronics Program at Glenn are being carried out through collaboration with other Government agencies, industrial and aerospace companies, and academia. The program supports missions as well as technology development efforts at NASA's Goddard Space Flight Center and Langley Research Center, and the Jet Propulsion Laboratory.

Patterson, Richard L.↗

DOE OSTI2020

ELSI — An open infrastructure for electronic structure solvers

Routine applications of electronic structure theory to molecules and periodic systems need to compute the electron density from given Hamiltonian and, in case of non-orthogonal basis sets, overlap matrices. System sizes can range from few to thousands or, in some examples, millions of atoms. Different discretization schemes (basis sets) and different system geometries (finite non-periodic vs. infinite periodic boundary conditions) yield matrices with different structures. The ELectronic Structure Infrastructure (ELSI) project provides an open-source software interface to facilitate the implementation and optimal use of high-performance solver libraries covering cubic scaling eigensolvers, linear scaling density-matrix-based algorithms, and other reduced scaling methods in between. In this paper, we present recent improvements and developments inside ELSI, mainly covering (1) new solvers connected to the interface, (2) matrix layout and communication adapted for parallel calculations of periodic and/or spin-polarized systems, (3) routines for density matrix extrapolation in geometry optimization and molecular dynamics calculations, and (4) general utilities such as parallel matrix I/O and JSON output. The ELSI interface has been integrated into four electronic structure code projects (DFTB+, DGDFT, FHI-aims, SIESTA), allowing us to rigorously benchmark the performance of the solvers on an equal footing. Based on results of a systematic set of large-scale benchmarks performed with Kohn–Sham density-functional theory and density-functional tight-binding theory, we identify factors that strongly affect the efficiency of the solvers, and propose a decision layer that assists with the solver selection process. As a result, we describe a reverse communication interface encoding matrix-free iterative solver strategies that are amenable, e.g., for use with planewave basis sets.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Robust Distributed State Estimator for Interconnected Transmission and Distribution Networks (Final Report RPPR-1)

This project’s objective is to develop a combined transmission and distribution state estimator which accounts for very large system size and model complexity (by way of distributing the computations) and large number of solar PV units connected to the distribution system on multiple feeders. The project not only provides a robust formulation and solution to this problem but also tests the solution by implementing it on a well-established large utility system. It introduces several improvements with respect to the state of the art in existing state estimation software: (a) The developed state estimator (SE) allows robust and accurate monitoring of bidirectional flows in distribution systems which result due to the distributed energy sources which are not observable and thus not incorporated in generation dispatch; (b) Large utility systems with tens of thousands of transmission buses and hundreds of thousands of distribution nodes are difficult to model as a single integrated system. This shortcoming is addressed by developing a “scalable distributed computational framework” which allows splitting the ultra large system models into several small subsystems and coordinating their solution by a robust and practical state estimation formulation; (c) Measurement errors irrespective of their locations are detected and removed by the developed state estimator. Historically, transmission and distribution systems were analyzed and operated as two independent systems. Given the non-transposed short feeder sections, unevenly loaded phases, strictly radial configuration and unidirectional power flows in the absence of remote generation, distribution system analysis was customized to account for these characteristics. However, some of these assumptions are no longer valid (non-radial configuration, bidirectional power flows) and thus distribution system analysis should be revisited. Furthermore, in the past, the interaction between the transmission and distribution systems was quite passive, where distribution substations were modeled as lumped loads in the transmission system model. With substantial generation injected by renewable generation located in the distribution systems, such modeling will no longer be accurate. The developed state estimator facilitates proper monitoring of the interactions between the transmission and distribution systems and enables smart dispatch of these units which are made observable by the state estimator.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRSDate not supplied

Crewed Mars Mission Mode Options for Nuclear Electric/Chemical Hybrid Transportation System

NASA's Human Exploration and Operation Mission Directorate is continuing to study different concepts and options to field human Mars missions as part of NASA's Moon2Mars directive. For crewed missions to Mars, the transportation system sizing is highly dependent on the total mission duration, Mars orbit dwell time, mission concept of operations, and the chosen propulsion system. NASA has been investigating the use of low-thrust electric propulsion systems to augment high-thrust chemical propulsion system for crewed Mars mission to enable a more energy-efficient operations. Recent studies on these missions have focused on ``All-Up'' piloted mission modes in which the in-space transportation system for crew transit departs Earth with everything it needs for the roundtrip journey, with only the Mars landers and surface assets pre-deployed. This design choice was made to minimize the mission operation risk, as the crew could return safely to Earth in the event of a failure to rendezvous or other failure of any pre-deployed assets. As the Mars Architecture Team continues to investigate and understand the Mars mission trade space, alternate mission mode studies were conducted to understand their impact to the transportation system. These include pre-positioning return assets and discarding expended stages to reduce the overall system mass.

Patrick R Chai↗

NASA NTRS1987

Simulation of the electron acoustic instability for a finite-size electron beam system

Simulations of the electron acoustic instability for a finite-size electron beam system are performed with a particle-in-cell code to investigate the heating phenomena associated with the instability and the width of the heating region. The results show that the beam radiates electrostatic electron acoustic waves whose decay time outside the beam agrees with the spatial decay length derived from the linear dispersion equation. The ambient cold electrons in a diffusion region surrounding the beam are heated to a higher temperature by absorbing the radiated electron acoustic waves, with the heating occurring mainly in the parallel direction. In the heat diffusion region, the temperature of the cold electrons decreases with distance from the beam with a temperature gradient length smaller than the decay length of the wave energy. The results are discussed with respect to the DE 1 plasma and wave observations in the polar cusp region.

Lin, C. S.↗

DOE OSTI2021

Tracing the Mott-Hubbard transition in one-dimensional Hubbard models without Umklapp scattering

Here we apply the density-matrix renormalization group (DMRG) method to a one-dimensional Hubbard model that lacks Umklapp scattering and thus provides an ideal case to study the Mott-Hubbard transition analytically and numerically. The model has a linear dispersion and displays a metal-to-insulator transition when the Hubbard interaction U equals the bandwidth U c = W, where the single-particle gap opens linearly, Δ(U ≥ W) = U - W. The simple nature of the elementary excitations permits us to determine numerically with high accuracy the critical interaction strength and the gap function in the thermodynamic limit. The jump discontinuity of the momentum distribution $n_k$ at the Fermi wave number $k_F$ = 0 cannot be used to locate accurately U c from finite-size systems. However, the slope of $n_k$ at the band edges $k_B$ = ±π, reveals the formation of a single-particle bound state which can be used to determine U c reliably from $n_k$ using accurate finite-size data.

1-dimensional systems↗

DOE OSTI2021

Fast and robust all-electron density functional theory calculations in solids using orthogonalized enriched finite elements

Here, we present a computationally efficient approach to perform systematically convergent real-space all-electron Kohn-Sham density functional theory calculations for solids using an enriched finite element (FE) basis. The enriched FE basis is constructed by augmenting the classical FE basis with atom-centered numerical basis functions, comprising of atomic solutions to the Kohn-Sham problem. Notably, to improve the conditioning, we orthogonalize the enrichment functions with respect to the classical FE basis, without sacrificing the locality of the resultant basis. In addition to improved conditioning, this orthogonalization procedure also renders the overlap matrix block diagonal, greatly simplifying its inversion. Subsequently, we use a Chebyshev polynomial based filtering technique to efficiently compute the occupied eigenspace in each self-consistent field iteration. We demonstrate the accuracy and efficiency of the proposed approach on periodic unit cells and supercells. The benchmark studies show a staggering 130× speedup of the orthogonalized enriched FE basis over the classical FE basis. We also present a comparison of the orthogonalized enriched FE basis with the linearized augmented plane-wave + local orbitals basis, both in terms of accuracy and efficiency. Notably, we demonstrate that the orthogonalized enriched FE basis can handle large system sizes of ~10 000 electrons. Finally, we observe good parallel scalability of our implementation with 92% efficiency at 22× speedup for a system with 620 electrons

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Circumventing superexponential runtimes for hard instances of quantum adiabatic optimization

Classical optimization problems can be solved by adiabatically preparing the ground state of a quantum Hamiltonian that encodes the problem. The performance of this approach is determined by the smallest gap encountered during the evolution. Here, we consider the maximum independent set problem, which can be efficiently encoded in the Hamiltonian describing a Rydberg atom array. We present a general construction of instances of the problem for which the minimum gap decays superexponentially with system size, implying a superexponentially large time to solution via adiabatic evolution. The small gap arises from locally independent choices which cause the system to initially evolve and localize into a configuration far from the solution in terms of Hamming distance. We investigate remedies to this problem. Specifically, we show that quantum quenches in these models can exhibit signatures of quantum many-body scars, which in turn, can circumvent the superexponential gaps. By quenching from a suboptimal configuration, states with a larger ground-state overlap can be prepared, illustrating the utility of quantum quenches as an algorithmic tool. Published by the American Physical Society 2024

Schiffer, Benjamin F. (ORCID:0000000189512157)↗

DOE OSTI2024

Adaptive variational simulation for open quantum systems

Emerging quantum hardware provides new possibilities for quantum simulation. While much of the research has focused on simulating closed quantum systems, the real-world quantum systems are mostly open. Therefore, it is essential to develop quantum algorithms that can effectively simulate open quantum systems. Here we present an adaptive variational quantum algorithm for simulating open quantum system dynamics described by the Lindblad equation. The algorithm is designed to build resource-efficient ansatze through the dynamical addition of operators by maintaining the simulation accuracy. We validate the effectiveness of our algorithm on both noiseless simulators and IBM quantum processors and observe good quantitative and qualitative agreement with the exact solution. We also investigate the scaling of the required resources with system size and accuracy and find polynomial behavior. Our results demonstrate that near-future quantum processors are capable of simulating open quantum systems.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1977

Electro-optic and holographic measurement techniques for the atmospheric sciences

A comprehensive examination is made of recent advanced research directions in the applications of electro-optical and holographic instrumentations and methods to atmospheric sciences problems. In addition, an overview is given of the in-house research program for environmental and atmospheric measurements with emphasis on particulates systems. Special treatment is made of the instrument methods and applications work in the areas of laser scattering spectrometers and pulsed holography sizing systems. Selected engineering tests data on space simulation chamber programs are discussed.

Moore, W. W., Jr.↗