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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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At least 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH 3 OH–Cu(111)

A method for computing anharmonic thermophysical properties for adsorbates on metal surfaces has been extended to include libration, or frustrated rotation. Classical phase space integration is used with Monte Carlo sampling of the configuration space to obtain the partition function of CO on Pt(111) and CH 3 OH on Cu(111). A minima-preserving neural network potential energy surrogate is used within the integration routines. Direct state counting using discrete variable representation is used to benchmark the results. We find that the phase space integration approach is in excellent agreement with the direct state counting results. Comparison with standard models such as the harmonic oscillator indicates that anharmonicity contributes significantly to the thermodynamic properties of CH 3 OH on Cu(111). We find that there is also a considerable difference between the harmonic oscillator and phase space integration for CO on Pt(111), although the discrepancy can largely be attributed to the presence of multiple binding sites within the unit cell. We demonstrate that a multisite harmonic oscillator model might be sufficient for CO-Pt(111). A more thorough description of the potential energy surface, which can be achieved with phase space integration, is necessary for weakly bound adsorbates such as CH 3 OH. In conclusion, the thermophysical properties were used to calculate free energies of adsorption on the respective metals, and subsequently the equilibrium constants and Langmuir isotherms in relevant temperature ranges. The results show that the choice of model to obtain partition functions greatly affects the resulting surface coverages in kinetic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Self-aligned heterogeneous quantum photonic integration

Integrated quantum photonics holds significant promise for scalable photonic quantum information processing, quantum repeaters, and quantum networks, but its development is hindered by the mismatch between materials hosting high-quality quantum emitters and those compatible with mature photonic technologies. Heterogeneous integration offers a potential solution to this challenge, yet practical implementations have been limited by inevitable insertion losses at material interfaces. Here, we present a self-aligned heterogeneous quantum photonic integration approach that enables near-unity coupling efficiency at the interface. To showcase our approach, we demonstrate Purcell enhancement of a silicon vacancy (SiV) center in diamond induced by a heterogeneous photonic crystal cavity defined by titanium dioxide (TiO 2 ), as well as optical spin control and readout via a TiO 2 photonic circuit. We further show that, when combined with inverse photonic design, our approach enables efficient and broadband collection of single photons from a color center into a heterogeneous waveguide. Our approach is not restricted to SiV centers or TiO 2 ; it has the potential to be broadly applied to integrate diverse solid-state quantum emitters with thin-film photonic devices where conformal deposition is possible. Together, these results establish a practical route to scalable quantum photonic integrated circuits that combine high-quality quantum emitters with technologically mature photonic platforms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Grid Strength Analysis for Integrating 30 GW of Offshore Wind Generation by 2030 in the U.S. Eastern Interconnection

Offshore wind is a key player in the transition to a decarbonized electric gird, and the United States has set ambitious goals of integrating 30 GW of offshore wind capacity by 2030 and 110 GW by 2050. To facilitate this integration, the National Renewable Energy Laboratory and the Pacific Northwest National Laboratory are conducting the Atlantic Offshore Wind Transmission Study to assess transmission solutions. To achieve the 110-GW target by 2050, meticulous planning for network expansion and resource allocation is essential; however, meeting the 2030 goals requires integrating offshore wind power with minimal system upgrades, thus necessitating a careful study of grid strength and stability. The study team developed the Automated System-wide Strength Evaluation Tool (ASSET) to assess system strength under various operating conditions and contingencies, focusing on the proposed integration of 30 GW of offshore wind power by 2030. In this paper, we provide a summary of key features of the ASSET software and results of the grid strength analysis for integrating 30 GW of offshore wind generation by 2030 in the U.S. Eastern Interconnection.

Automated System-wide Strength Evaluation Tool (AS↗
DOE OSTI2023

Understanding the impact of nuclear-data covariances on various integral responses using adjustment

The EUCLID (Experiments Underpinned by Computational Learning for Improvements in Nuclear Data) project created a library of sensitivities for nine different integral responses with respect to nuclear data. These integral responses were obtained from measurements at LLNL (Lawrence Livermore National Laboratory) pulsed spheres, critical and sub-critical assemblies. At the same time, covariances for ENDF/B-VIII.0 were processed at LANL (Los Alamos National Laboratory). The combination of these data allow us to study the impact of nuclear-data covariances on various integral responses, either by forward-propagating covariances via sensitivities, or by using nuclear data, integral responses, and sensitivities for adjustment. Here, we will present: the impact of 1 H, 9 Be, 12 C, 27 Al, 56 Fe, 235,238 U, and 239,240 Pu ENDF/B-VIII.0 covariances on simulated bounds of the following integral responses: LLNL pulsed-spheres neutron-leakage spectra, the effective neutron multiplication factor, reaction rates, and reactivity coefficients of ICSBEP critical assemblies. Also, adjustment results with the same nuclear-data covariances and responses will be discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Productivity and cost of energy chipping with non-integrated harvesting systems in the Coastal Plain of the US south

Research from the 1980s–2010s suggested that integrated harvesting systems that harvest conventional products (e.g., sawtimber, pulpwood) and energy chips simultaneously were the most effective solution to produce energy chips in the US South. Alternatives, such as biomass-only systems, have important advantages in forest stands with low volumes of merchantable timber. The goal of this study was to estimate the productivity and cost of producing energy chips using non-integrated systems. Innovative chipping contractors using non-integrated systems were identified through contacts with procurement foresters responsible for purchasing energy chips. Elemental time-and-motion studies were conducted to estimate harvesting productivity on five operations, including one clearcut harvest and four first thinnings in overstocked stands. The hourly cost of equipment was estimated using the machine rate method. Cost per tonne was estimated by combining hourly productivity and hourly costs in a modified version of the Auburn Harvesting Analyzer. System productivity averaged 37 tonnes per scheduled machine hour (smh) and cut-and-haul costs averaged $33.86 t −1 (USD), which was comparable to previous estimates from integrated systems. In conclusion, this study suggests there are viable alternatives to integrated harvesting systems to produce energy chips, especially in stands with low volumes of merchantable timber.

09 BIOMASS FUELS↗
DOE OSTI2023

Direct measurement of the electron turbulence-broadening edge transport barrier to facilitate core–edge integration in tokamak fusion plasmas

Abstract The integration of a high-performance core and a dissipative divertor, or the so-called ‘core–edge integration,’ has been widely identified as a critical gap in the design of future fusion reactors. In this letter, we report, for the first time, direct experimental evidence of electron turbulence at the DIII-D H-mode pedestal that correlates with the broadening of the pedestal and thus facilitates core–edge integration. In agreement with gyrokinetic simulations, this electron turbulence is enhanced by high η e ( η e = L n / L T e , where L n is the density scale length and L T e is the electron temperature scale length), which is due to a strong shift between the density and temperature pedestal profiles associated with a closed divertor. The modeled turbulence drives significant heat transport with a lower pressure gradient that may broaden the pedestal to a greater degree than the empirical and theoretically predicted pedestal width scalings. Such a wide pedestal, coupled with a closed divertor, enables us to achieve a good core–edge scenario that integrates a high-temperature low-collisionality pedestal (pedestal top temperature T e,ped > 0.8 keV and a pedestal top collisionality ν * ped < 1) under detached divertor conditions. This paves a new path toward solving the core–edge integration issue in future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Integrated RMP-based ELM-crash-control process for plasma performance enhancement during ELM crash suppression in KSTAR

The integrated Resonant Magnetic Perturbation (RMP)-based Edge-Localized Mode (ELM)-crash-control process aims to enhance the plasma performance during the RMP-driven ELM crash suppression, where the RMP induces an unwanted confinement degradation. In this study, the normalized beta ($\beta_\textrm{N}$) is introduced as a metric for plasma performance. The integrated process incorporates the latest achievements in the RMP technique to enhance $\beta_\textrm{N}$ efficiently. The integrated process triggers the n = 1 Edge-localized RMP (ERMP) at the L–H transition timing using the real-time Machine Learning (ML) classifier. The pre-emptive RMP onset can reduce the required external heating power for achieving the same $\beta_\textrm{N}$ by over 10% compared to the conventional onset. During the RMP phase, the adaptive feedback RMP ELM controller, demonstrating its performance in previous experiments, plays a crucial role in maximizing $\beta_\textrm{N}$ during the suppression phase and sustaining the $\beta_\textrm{N}$-enhanced suppression state by optimizing the RMP strength. The integrated process achieves $\beta_\textrm{N}$ up to ~2.65 during the suppression phase, which is ~10% higher than the previous KSTAR record but ~6% lower than the target of the K-DEMO first phase ($\beta_\textrm{N}$ = 2.8), and maintains the suppression phase above the lower limit of target $\beta_\textrm{N}$ (= 2.4) for ~4 s (~60$\tau_\textrm{E}$). In addition to $\beta_\textrm{N}$ enhancement, the integrated process demonstrates quicker restoration of the suppression phase and recovery of $\beta_\textrm{N}$ compared to the adaptive control with the n = 1 Conventional RMP (CRMP). The post-analysis of the experiment shows the localized effect of the ERMP spectrum in radial and the close relationship between the evolution of $\beta_\textrm{N}$ and the electron temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

miss-SNF: a multimodal patient similarity network integration approach to handle completely missing data sources

Abstract Motivation Precision medicine leverages patient-specific multimodal data to improve prevention, diagnosis, prognosis, and treatment of diseases. Advancing precision medicine requires the non-trivial integration of complex, heterogeneous, and potentially high-dimensional data sources, such as multi-omics and clinical data. In the literature, several approaches have been proposed to manage missing data, but are usually limited to the recovery of subsets of features for a subset of patients. A largely overlooked problem is the integration of multiple sources of data when one or more of them are completely missing for a subset of patients, a relatively common condition in clinical practice. Results We propose miss-Similarity Network Fusion (miss-SNF), a novel general-purpose data integration approach designed to manage completely missing data in the context of patient similarity networks. miss-SNF integrates incomplete unimodal patient similarity networks by leveraging a non-linear message-passing strategy borrowed from the SNF algorithm. miss-SNF is able to recover missing patient similarities and is “task agnostic”, in the sense that can integrate partial data for both unsupervised and supervised prediction tasks. Experimental analyses on nine cancer datasets from The Cancer Genome Atlas (TCGA) demonstrate that miss-SNF achieves state-of-the-art results in recovering similarities and in identifying patients subgroups enriched in clinically relevant variables and having differential survival. Moreover, amputation experiments show that miss-SNF supervised prediction of cancer clinical outcomes and Alzheimer’s disease diagnosis with completely missing data achieves results comparable to those obtained when all the data are available. Availability and implementation miss-SNF code, implemented in R, is available at https://github.com/AnacletoLAB/missSNF.

Biochemistry & Molecular Biology↗
DOE OSTI2020

Diffusive hydrodynamics from integrability breaking

We describe here the crossover from generalized to conventional hydrodynamics in nearly integrable systems. Integrable systems have infinitely many conserved quantities, which spread ballistically, in general. When integrability is broken, only a few of these conserved quantities survive. The remaining conserved quantities are generically transported diffusively; we further derive a compact and general diffusion equation for these. The diffusion constant depends on the matrix elements of the integrability-breaking perturbation; for a certain class of integrability-breaking perturbations, including long-range interactions, the diffusion constant can be expressed entirely in terms of generalized hydrodynamic data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Quantum Hamilton-Jacobi theory, spectral path integrals, and exact WKB analysis

We propose a new way to perform path integrals in quantum mechanics by using a quantum version of Hamilton-Jacobi (HJ) theory. In classical mechanics, Hamilton-Jacobi theory is a powerful formalism, however, its utility is not explored in quantum theory beyond approximation schemes. The canonical transformation enables one to set the new Hamiltonian to constant or zero, but keeps the information about solution in Hamilton’s characteristic function. To benefit from this in quantum theory, one must work with a formulation in which classical Hamiltonian is used. This uniquely points to phase space path integral. However, the main variable in HJ formalism is energy, not time. Thus, we are led to consider the Fourier transform of the path integral, the spectral path integral Z ˜ ( E ) . The evaluation of path integrals reduces to determining the quantum Hamilton characteristic functions (which can be achieved via an asymptotic analysis) and a discrete sum over the quantum period lattice, generalizing Gutzwiller’s sum. Published by the American Physical Society 2025

Türe, Mustafa (ORCID:0009000975968618)↗
DOE OSTI2021

Extracting dynamical frequencies from invariants of motion in finite-dimensional nonlinear integrable systems

Integrable dynamical systems play an important role in many areas of science, including accelerator and plasma physics. An integrable dynamical system with n degrees of freedom possesses n nontrivial integrals of motion, and can be solved, in principle, by covering the phase space with one or more charts in which the dynamics can be described using action-angle coordinates. To obtain the frequencies of motion, both the transformation to action-angle coordinates and its inverse must be known in explicit form. However, no general algorithm exists for constructing this transformation explicitly from a set of n known (and generally coupled) integrals of motion. In this study we describe how one can determine the dynamical frequencies of the motion as functions of these n integrals in the absence of explicitly known action-angle variables, and we provide several examples.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Strong Zero Modes in Integrable Quantum Circuits

It is a classic result that certain interacting integrable spin chains host robust edge modes known as strong zero modes (SZMs). In this Letter, we extend this result to the Floquet setting of local quantum circuits, focusing on a prototypical model providing an integrable Trotterization for the evolution of the XXZ Heisenberg spin chain. By exploiting the algebraic structures of integrability, we show that an exact SZM operator can be constructed for these integrable quantum circuits in certain regions of parameter space. Our construction, which recovers a well-known result by Paul Fendley in the continuous-time limit, relies on a set of commuting transfer matrices known from integrability, and allows us to easily prove important properties of the SZM, including normalizabilty. Our approach is different from previous methods and could be of independent interest even in the Hamiltonian setting. Furthermore, our predictions, which are corroborated by numerical simulations of infinite-temperature autocorrelation functions, are potentially interesting for implementations of the XXZ quantum circuit on available quantum platforms.

1-dimensional spin chains↗
DOE OSTI2025

Two transitions in complex eigenvalue statistics: Hermiticity and integrability breaking

Open quantum systems have complex energy eigenvalues which are expected to follow non-Hermitian random matrix statistics, when chaotic, or two-dimensional (2d) Poisson statistics, when integrable. We investigate the spectral properties of a many-body quantum spin chain, i.e., the Hermitian Heisenberg model with imaginary disorder. Its rich complex eigenvalue statistics is found to separately break both Hermiticity and integrability at different scales of the disorder strength. With no disorder, the system is integrable and Hermitian, with spectral statistics corresponding to the 1d Poisson point process. At very small disorder, we find a transition from 1d Poisson statistics to an effective D -dimensional Poisson point process, showing Hermiticity breaking. At intermediate disorder, we find integrability breaking, as inferred from the statistics matching that of non-Hermitian complex symmetric random matrices in class AI † . For large disorder, as the spins align, we recover the expected integrability (now in the non-Hermitian setup), indicated by 2d Poisson statistics. These conclusions are based on fitting the spin-chain data of numerically generated nearest- and next-to-nearest-neighbor spacing distributions to an effective 2d Coulomb gas description at inverse temperature β . We confirm that such an effective description of random matrices also applies in classes AI † and AII † up to next-to-nearest-neighbor spacings. Published by the American Physical Society 2025

Akemann, Gernot (ORCID:0000000217104258)↗
DOE OSTI2020

Control of SiC Based Integrated DC-DC Powertrain Charger for Electric Vehicles

In this paper, an automated controller for an integrated, reconfigurable dc-dc converter for plugin electric vehicles (EVs) is presented. The integrated converter combines both an interleaved boost converter and dual active bridge (DAB) converter, sharing magnetics and switching devices. The converter switches between operating modes using the existing battery management system (BMS) contactors. The integrated converter operates in isolated DAB mode during battery charging operation. During traction operation, the integrated converter is operated in interleaved boost mode for heavy load and DAB mode during light load, high voltage operation. An online transition algorithm is used to transition from interleaved boost mode to DAB mode with minimal bus distortion. The automated controller selects the operating mode and inverter bus voltage at different torque-speed conditions to get maximum overall traction drive efficiency. An experimental prototype of the integrated converter demonstrates the automated controller functionality.

Anwar, Saeed↗
DOE OSTI2023

Open-Source Steady-State Models for Integration of Wave Energy Converter into Microgrids

This paper proposes a software framework, WEC-Grid, for integrating wave energy converters (WECs) into power flow software, such as Siemens PSS®E, to aid the integration of alternative energy sources into Microgrids. While integrating alternative sources such as WECs presents specific challenges such as cost, power quality, and power variability, wave energy is a promising renewable energy resource. Evaluating the integration of WECs into the power grid is a complex and nuanced problem that requires seamless communication between a WEC model and power flow software. The presented WEC-Grid software framework bridges and extends the functionality of WEC-Sim, an open-source WEC modeling package for MATLAB, through a wave-to-wire (W2W) electro-mechanical power conversion and processing model. WEC-Grid acts as a software wrapper, handler, and communication layer between the W2W modeler and power flow software. The software is designed to represent each grid system as a class object, allowing power system operators to perform power system duties such as contingency planning and dispatch operations. The integration of WECs with PSS®E’s power flow calculations workflow is demonstrated with an IEEE RTS case study.

16 TIDAL AND WAVE POWER↗
DOE OSTI2023

Integration of a Smart Outlet-Based Plug Load Management System with a Building Automation System

The growth of and reliance on renewable energy necessitate a multi-pronged approach to achieve grid reliability and economics. As they represent a notable portion of U.S. energy consumption, commercial buildings must play an active role in this effort. Conserving energy and responding to grid conditions through demand flexibility can be achieved through the integration of major building systems. Integration of plug and process loads with lighting and heating, ventilation, and air conditioning systems maximizes the effectiveness of integrated building energy management. In this research, we demonstrate the integration of smart outlets into a building automation system. We cover the installation process as well as the architecture required for smart outlets to communicate data to the building automation system and to receive commands back. After recording power measurements for one week as a baseline, we configured the building automation system to turn the smart outlets on and off according to a set schedule. This resulted in energy savings of 66% during 1 week on 25 plug loads. This work demonstrates that grid-interactive efficient buildings are achievable through building system integration.

building automation system↗
DOE OSTI2025

Integrated Multiport Conductive and Wireless Architecture for Electric Vehicle Charging

This paper explores the opportunity of integrating conductive and wireless electric vehicle charging architectures and presents an integrated multiport charging architecture suitable for simultaneous conductive and wireless charging of electric vehicles. The architecture successfully integrates the primary side power electronic high frequency inverter and the high frequency transformer with the wireless transmitter and receiver to achieve independent power flow at each port. Design of the integrated magnetics is discussed, and results are presented that demonstrate the decoupled power flow at each port. The proposed integrated architecture increases the utilization of the same charging infrastructure without a proportionate increase in the cost.

Mukherjee, Subho [ORNL] (ORCID:0009000672297925)↗
DOE OSTI2025

RE-INTEGRATE EMT Simulation Software: DAE Solvers and Automation

Existing electromagnetic transient (EMT) simulation tools face challenges in accelerating EMT simulations, especially for very large-scale power networks. To tackle this issue, next generation EMT simulation tools such as RE-INTEGRATE EMT are being researched upon. Such tools should be equipped with automation capabilities and advanced numerical differential-algebraic equation (DAE) solvers. In this paper, the DAE solvers incorporated within the RE-INTEGRATE EMT simulation tool are discussed. In particular, a modified ODEINT-based DAE solver and the ARKODE solver from SUN-DIALS are leveraged within RE-INTEGRATE EMT. In addition, the automation implemented within RE-INTEGRATE EMT to automate the DAE generation (replacing the need of manual discretization and assembling DAEs) is discussed. Different use cases were implemented using the RE-INTEGRATE EMT tool and were validated with respect to baseline simulations.

Marthi, Phani Ratna Vanamali [ORNL] (ORCID:0000000↗