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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Iron-Imprinted Single-Atomic Site Catalyst-Based Nanoprobe for Detection of Hydrogen Peroxide in Living Cells

Fe-based single-atomic site catalysts (SASCs), with the natural metalloproteases-like active site structure, have attracted widespread attention in biocatalysis and biosensing. Precisely, controlling the isolated single-atom Fe-N-C active site structure is crucial to improve the SASCs’ performance. In this work, we use a facile ion-imprinting method (IIM) to synthesize isolated Fe-N-C single-atomic site catalysts (IIM-Fe-SASC). With this method, the ion-imprinting process can precisely control ion at the atomic level and form numerous well-defined single-atomic Fe-N-C sites. The IIM-Fe-SASC shows better peroxidase-like activities than that of non-imprinted references. Due to its excellent properties, IIM-Fe-SASC is an ideal nanoprobe used in the colorimetric biosensing of hydrogen peroxide (H 2 O 2 ). Using IIM-Fe-SASC as the nanoprobe, in situ detection of H 2 O 2 generated from MDA-MB-231 cells has been successfully demonstrated with satisfactory sensitivity and specificity. This work opens a novel and easy route in designing advanced SASC and provides a sensitive tool for intracellular H 2 O 2 detection.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Magnus method for electronic structure calculations at extreme conditions

We present the application of Magnus based methods to the solution of first order coupled ordinary differential equations in High Energy Density (HED) physics applications. Our focus is on the application to quantum mechanical methods, specifically on the solution of the radial Dirac equation for real and complex energies. HED applications require accurate solutions across a wide range of spatial and energy domains, including regimes where the solutions exhibit pronounced oscillatory behavior. Such cases pose significant computational challenges. We demonstrate that Magnus-based integrators can efficiently and accurately address these challenges. We discuss the implementation of the Magnus method for the solution of the radial Dirac equation, including practical considerations such as the evaluation of matrix exponentials, numerical integration, error estimation, and adaptive step size control. We also discuss the application of these methods to complex energy Green’s function techniques and the efficient approximation of integrals of the solutions relevant to HED electronic structure calculations. Here, we demonstrate the accuracy and robustness of the resulting method in applications to the free-particle case, for which analytic solutions are available for comparison, as well as the challenging case of gold at HED conditions.

general physics↗
DOE OSTI2025

Operation of helium sub-atmospheric multistage cryogenic centrifugal compressor trains: Part 2 – Transient modeling and pump-down path selection

Low-pressure conditions required for operation of helium cryogenic systems below the normal boiling point (i.e. 4.2 K) are established through a transient process, commonly referred to as ‘pump-down’. This process is defined as the transition from pressures above atmospheric conditions to the saturation pressure which corresponds to a specified operational temperature. The FRIB 2 K system consists of five cryogenic centrifugal compressors which are operated in series. Historically, the pump-down process path has been established through empirical methods and system operator experience. Investigation into the pump-down process at FRIB aimed to develop a pump-down methodology which relies on theoretical model predictions rather than empirically developed process paths. Ensuring stable operation during the pump-down process involved application of a centrifugal compressor performance prediction model, which is described in Part 1 of this paper. Compressor performance maps can be directly used to evaluate the stability of a selected pump-down path and anticipate the overall reliability of the selected path. In conjunction with the compressor performance maps, a system pressure model was developed to estimate the transient pressure response during the pump-down process. Lastly, an explicit equation was developed to establish a mass flow rate profile for the pump-down process. Implementation of the presented methodology (including the developed models) allows for the system operator to determine a continuous pump-down path which maintains compressor stability while conforming to overall system capabilities. Altogether, the methodology presented has resulted in simplification of transient pump-down operations and increased the reliability, stability and efficiency of the pump-down process.

Compressor train control↗
DOE OSTI2023

Benchmarking magnetised three-wave coupling for laser backscattering: analytic solutions and kinetic simulations

Understanding magnetised laser–plasma interactions is important for controlling magneto-inertial fusion experiments and developing magnetically assisted radiation and particle sources. For nanosecond pulses at non-relativistic intensities, interactions are dominated by coherent three-wave interactions, whose nonlinear coupling coefficients became known only recently when waves propagate at oblique angles with the magnetic field. In this paper, backscattering coupling coefficients predicted by warm-fluid theory are benchmarked using particle-in-cell simulations in one spatial dimension, and excellent agreements are found for a wide range of plasma temperatures, magnetic field strengths and laser propagation angles, when the interactions are mediated by electron-dominant hybrid waves. Systematic comparisons between theory and simulations are made possible by a rigorous protocol. On the theory side, the initial boundary value problem of linearised three-wave equations is solved, and the transient-time solutions allow the effects of growth and damping to be distinguished. On the simulation side, parameters are carefully chosen and calibration runs are performed to ensure that comparisons are well controlled. Fitting simulation data to analytical solutions yields numerical growth rates that match theory predictions within error bars. Although warm-fluid theory is found to be valid for a wide parameter range, genuine kinetic effects have also been observed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Stabilization of Low Valent Zirconium Nitrides in Titanium Nitride via Plasma-Enhanced Atomic Layer Deposition and Assessment of Electrochemical Properties

The increasing awareness of metal nitrides as feasible electrocatalysts in numerous energy-relevant transformations motivates greater synthetic control of mixed metal nitride compositions and their valence states. We report plasma-enhanced atomic layer deposition of titanium zirconium nitride, with an emphasis on the experimental parameters that influence the valence states of the two metal ions. We further examined the consequence of various ratios of Ti and Zr on the electrochemically active surface areas (ECSAs). Films with a Zr-to-Ti ratio of 1:2 or 1:1 yielded the highest ECSA; deviation from these values led to a large fraction of electrically insulating or semiconducting titanium or zirconium oxynitrides/oxides. The systematic examination establishes a fundamental structure-property relationship critical to assessing the electrochemical/electrocatalytic properties of metal nitrides.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interaction-driven quantum anomalous Hall insulator in a Dirac semimetal

Here, the interaction-driven quantum anomalous Hall (QAH) insulator has been sought for a long time in a Dirac semimetal with linear band touching points at the Fermi level. By combining exact diagonalization, density matrix renormalization group, and analytical methods, we study a spinless fermion system on the checkerboard lattice with twofold rotational symmetry, which realizes two Dirac band touching points in the absence of interaction. At weak coupling, the Dirac semimetal is stable. At a finite density-density repulsive interaction, we analyze possible symmetry broken states, and find that an QAH state is stabilized when the interaction strength exceeds the energy scale controlling the separation between the Dirac points. Through numerical simulations, we verify the existence of the QAH phase with spontaneous time-reversal symmetry breaking and quantized Chern number C = 1.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Precision Reconstruction of Rational Conformal Field Theory from Exact Fixed-Point Tensor Network

The novel concept of entanglement renormalization and its corresponding tensor network renormalization technique have been highly successful in developing a controlled real-space renormalization group (RG) scheme. Numerically approximate fixed-point (FP) tensors are widely used to extract the conformal data of the underlying conformal field theory (CFT) describing critical phenomena. In this paper, we present an explicit analytical construction of the FP tensor for 2D rational CFT. We define it as a correlation function between the “boundary-changing operators” (BCO) on triangles. Our construction fully captures all the real-space RG conditions. We also provide concrete examples, such as Ising, Yang-Lee, and tricritical Ising models, to compute the scaling dimensions explicitly based on the corresponding FP tensor. The BCO descendants turn out to be an optimal basis such that truncation in bond dimensions naturally produces comparable accuracies with the leading existing FP algorithms. Interestingly, our construction of FP tensors is closely related to a strange correlator, where the holographic picture naturally emerges. Our results also open a new door toward understanding CFT in higher dimensions. Published by the American Physical Society 2025

Cheng, Gong (ORCID:0009000891587404)↗
DOE OSTI2021

Providing Ancillary Services with Photovoltaic Generation in Multi- Timescale Grid Operation

With penetration levels of photovoltaic (PV) generation substantially increasing, electric power systems need more flexible resources that can provide ancillary services to mitigate the variability and uncertainty of the PV. On one hand, the increase in PV generation necessitates more flexible resources; on the other hand, because of its low operation cost, PV generation has been replacing conventional generation, which is currently the main flexible resource. Consequently, there is a trend to require renewable generation, including PV, to provide flexible ancillary services. This paper proposes a multi-timescale grid operation model considering the various control strategies of PV providing different ancillary services. Numerical case studies demonstrate that with PV providing both regulation reserve and primary frequency reserve, the system operating costs and PV curtailment will be reduced significantly. Results show that not only the system reliability can be improved but also PV profitability with PV providing more ancillary services.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

Acoustic Travel-Time Tomography for Wind Energy

New remote sensing technologies for direct observation of the atmospheric flow in the proximity of operating wind turbines are necessary for the advancement of wind turbine design, wind plant control, and the validation of high-fidelity numerical models; fundamental goals of the DOE Wind Energy Technology Office's (WETO's) A2e program. Modern remote sensing technologies for commercial and research applications rely on the backscatter of light or sound waves, which limits spatial and temporal resolution and cannot produce reliable flow estimates near solid bodies or reflective surfaces. Acoustic tomography (AT) is an innovative sensing technology based on fundamental thermodynamic properties of the atmosphere and an inverse algorithm that can reconstruct both velocity and temperature fields within a network of acoustic transducers. AT relies on the direct travel path of acoustic signals between speakers and microphones in the network and can achieve much higher resolutions than conventional backscatter technologies. For wind energy R&D applications, AT represents an extremely economical option over other remote sensing technologies, integrating mature and commonly available acoustic and signal processing hardware. This report is intended as an update on the development of the AT array on the NREL Flatirons Campus (FC) and includes a brief review of the instrumentation, the calibration of equipment, signal processing, and resulting flow field estimates. Designs for future AT systems and applications are detailed in this report, including summaries of new capabilities, engineering and theoretical challenges, and anticipated costs help to outline future directions for AT technology R\&D. The potential for application of AT to utility-scale turbines is also discussed. Investing in the development of the proposed instrument will establish AT as a transformational RS technique that represents a significant advance in measurement instrumentation, enabling new fundamental insights into the structure of the atmospheric boundary layer and supporting applications for wind energy, pollution transport, and resource characterization. AT is also an extremely economical option over other RS instruments, integrating mature and commonly available acoustic and signal processing hardware.

17 WIND ENERGY↗
DOE OSTI2023

Advanced Laboratory and Field Arrays: Technical Report for Performance Enhancement for Marine Energy Converter (MEC) Arrays (Task 5)

Task 5 consisted of two parts, wave energy converter (WEC) arrays and current energy converter (CEC) arrays. The two parts of the project were executed independently, and this report covers only the work on WECs. In this part of the task, the team characterized the behavior of and developed control schemes for wave energy converter (WEC) arrays that improved performance (i.e., maximized aggregate power generation and reduced the levelized cost of energy) over baseline, non-coordinated control approaches. Specifically, for WEC arrays: the team developed optimal layouts of arrays that considered the effect of WEC placement within an array on coordinated array control with real-time estimation schemes. The numerical codes developed through this task were made available to users for array design. These tools utilized existing commercial software as well as software developed within the project team.

13 HYDRO ENERGY↗
DOE OSTI2025

WEIS and FAST.Farm Advancements Beyond Wind Turbine Aeroelasticity

Presentation at the 7th Wind Energy Systems Engineering workshop from NREL principal engineer Jason Jonkman, Ph.D., on NREL's numerical tools Wind Energy with Integrated Servo-control (WEIS), which focuses on the integrated design of floating wind turbines, and FAST.Farm, a simulation tool for multi-turbine wind farms based on popular aero-servo-hydro-elastic solver OpenFAST. The presentation discusses recent advancements beyond wind turbine aero-elasticity.

17 WIND ENERGY↗
DOE OSTI2025

Aeroelastic Modelling of Large Wind Turbines: Towards a Unified OpenFAST-SEAHOWL Approach

In recent years, the scale of wind turbines has significantly increased to maximize energy capture for a given site (particularly offshore), presenting new challenges in terms of structural design and dynamics. As towers grow taller and blades grow longer, flexion and torsion of the latter have a non-negligible impact on the behavior and performance of the turbine in terms of overall loads, power production, and control. When representing large-scale wind turbines numerically to capture these important effects, particular attention must therefore be given to the level of fidelity for representing each structural component, as well as the coupling scheme used between them to keep simulations accurate, stable, and efficient. To address this issue, we combine here the two following tools: (1) OpenFAST, the reference whole-turbine simulation tool from NREL with standalone modules covering each physics and the choice between loose coupling and a new tight coupling scheme for structural dynamics, and (2) SEAHOWL, the whole-turbine simulation tool from TotalEnergies with monolithic coupling of structural dynamics through Project Chrono and partitioned coupling for multiphysics interactions.

17 WIND ENERGY↗
DOE OSTI2021

Providing Ancillary Services with Photovoltaic Generation in Multi-Timescale Grid Operation: Preprint

With photovoltaic (PV) generation substantially increases, electric power systems need more flexible resources that can provide ancillary services to mitigate the variability and uncertainty of the PV generation. On the one hand, the increase of PV generation necessitates the needs of more flexible resources. On the other hand, PV generation, because of its low operation cost, has been replacing the conventional generation in the system which is the main flexible resources in the current system. Consequently, there is a trend to require the renewable generation including PV to provide flexible ancillary services to further accommodate more PV integration. This paper proposes a multi-timescale grid operation model considering the various control strategies of PV providing different ancillary services. Numerical case studies demonstrate that with PV providing both regulation reserve and primary frequency reserve, the system operating costs and PV curtailment will be reduced significantly. It shows that not only the system reliability but also PV's profitability can be improved with PV providing more ancillary services.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

2.1.3.404 - WEC Array Power Management and Output Simulation Tool

An array of wave energy converter (WEC) devices has variations in power output due to the chaotic nature of the waves. Eliminating or mitigating the power fluctuations is important for reducing the integration impacts of WEC plants in both distribution and transmission grids, and in standalone isolated power systems. Reduced variability of WEC-generated power in combination with energy storage or power management control at each WEC and at the array level will help increasing hosting capacity of distribution feeders for this type of variable renewable generation, and minimization of electric losses. To reduce risks and risk perception, gain key stakeholder acceptance, and enable developers to design effective and compatible energy plants with arrays of WEC devices, it requires the use of modeling tools to simulate the resource environment, device dynamics, utility power system response, as well as the development of an interface for an array controller. The project will create a publicly accessible numerical modeling framework to empower the wave energy sector to design projects of various scales (kW-100s MW), which are optimized on a plant performance basis and are compatible with different power systems and wave conditions. The framework will integrate with WEC-Sim, a wave environment model (SWAN-FUNWAVE), as well as established relevant electrical analysis tools, to model the grid system and interconnection, and optimize power output and power management for the WEC array.

POWER TRANSMISSION AND DISTRIBUTION,TIDAL AND WAVE↗
DOE OSTI2026

Categorizing Plug Load Solutions by Ease of Implementation

Plug loads account for a growing share of U.S. commercial building electricity use, projected to rise from 16% today to 21% by 2050. Managing these loads presents a substantial opportunity for reducing energy costs while providing additional operational benefits, such as improved asset management and occupant comfort. Despite their potential, plug loads are numerous, diverse, and highly occupant-dependent, making control challenging. This publication organizes plug load control strategies by level of effort, offering building owners and operators a staged approach to implement interventions ranging from smart outlets and automatic receptacle controls to behavioral strategies. By following these actionable steps, building stakeholders can reduce energy consumption, lower utility bills, and realize broader operational advantages.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Joint Geophysical and Numerical Insights of the Coupled Thermal‐Hydro‐Mechanical Processes During Heating in Salt

Abstract Salt offers an optimal medium for the permanent isolation of heat‐producing radioactive waste due to its impermeability, high thermal conductivity, and ability to close fractures through creep. A thorough understanding of the thermal‐hydrological‐mechanical (THM) processes, encompassing brine migration, is fundamental for secure radioactive waste disposal within salt formations. At the Waste Isolation Pilot Plant (WIPP), we conducted joint in situ geophysical monitoring experiments during active heating to investigate brine migration near excavations. This experiment incorporated electrical resistivity tomography (ERT) alongside high‐resolution fiber‐optic‐based distributed temperature sensing within a controlled heating experiment. Additionally, discrete element model (DEM) based numerical simulations were conducted to simulate THM processes during heating, providing a more mechanistic understanding of the coupled processes leading to the observed changes in geophysical measurements. During heating, resistivity shifts near the heater were reasonably explained by temperature effects. However, in more distant, cooler regions, the resistivity decrease exceeded predictions based solely on temperature. DEM simulations highlighted brine migration, propelled by pore pressure gradients, as the likely primary factor contributing to the additional resistivity decline beyond temperature effects. The comparison between the predicted ERT responses and observations was much improved when considering the effects of brine migration based on the DEM simulations. These geophysical and simulation findings shed light on brine migration in response to salt heating, enhancing our understanding of the coupled THM processes in salt for safe radioactive waste disposal.

58 GEOSCIENCES↗
DOE OSTI2023

Quantum tracking control of the orientation of symmetric-top molecules

The goal of quantum tracking control is to identify shaped fields to steer observable expectation values along designated time-dependent tracks. The fields are determined via an iteration-free procedure, which is based on inverting the underlying dynamical equations governing the controlled observables. In this paper, we generalize the ideas in [Phys. Rev. A 98, 043429 (2018)] to the task of orienting symmetric top molecules in three dimensions. To this end, we derive equations for the control fields capable of directly tracking the expected value of the three-dimensional dipole orientation vector along a desired path in time. In conclusion, we show this framework can be utilized for tracking the orientation of linear molecules as well, and present numerical illustrations of these principles for symmetric-top tracking control problems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Parallel-in-Time Simulation of Lindblad's Equation

Constructing fast quantum logic gates is critical to building a scalable quantum computer. We consider a qudit, a quantum version of a bit that can take an arbitrary number of states, coupled with a cavity. In this project, we wish to force the qudit to reach the 0-state, for any possible initial state. The coupled system changes in time according to Lindblad’s equation, an ordinary differential equation on the density matrix of the quantum system. Lindblad’s equation contains some parameters that we can control, so-called control functions. We seek control functions which force the qudit to the 0-state within 2 microseconds, which is much faster than what is currently done in practice. The search method is gradient descent, a numerical optimization method that uses gradient information to iteratively improve the control parameters. My contribution to this project is an attempt to speed up the computation of the gradient. It currently takes about 40 seconds to compute the gradient which involves solving a set of ODEs sequentially. Current supercomputers have thousands of cores, but sequential computations can only make use of 1 core at a time. We wish to divide up the work better, so that we can use many more cores at once. To this end, we have implemented the Multigrid Reduction in Time (MGRIT) algorithm. We perform a systematic parameter search on how to best apply this algorithm. Results indicate a 25 percent speed up for solving Lindblad’s equation and determining how close the final state is the 0-state.

97 MATHEMATICS AND COMPUTING↗