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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-Spectral Resolution Lidar (HSRL) Instrument Handbook

High-spectral-resolution lidar (HSRL) systems provide vertical profiles of optical depth, backscatter cross-section, depolarization, and backscatter phase function. All HSRL measurements are calibrated by reference to molecular scattering, which is measured at each point in the lidar profile. Like the Raman lidar (RL), but unlike simple backscatter lidars such as the micropulse lidar (MPL), this enables the HSRL to measure backscatter cross-sections and optical depths without prior assumptions about the scattering properties of the atmosphere. The depolarization observations allow robust discrimination between ice and water clouds. Rigorous error estimates can be computed for all measurements. A very narrow angular field of view reduces multiple scattering contributions. The small field of view, coupled with a narrow optical bandwidth, nearly eliminates noise due to scattered sunlight. The laser transmitter is a diode-pumped, frequency-doubled Nd:YAG laser. Narrow-band, single-frequency operation is provided by injection seeding with a single-frequency, cw-diode-pumped diode laser. The main laser cavity is maintained in resonance with the seed laser by adjusting the cavity length to minimize the time between the Q-switch trigger and the emission of the laser pulse. The emission wavelength is tuned via temperature control of the seed laser crystal and is locked to line #1109 of the iodine absorption spectra. Locking is accomplished by minimizing the transmission through a 2-cm-long iodine absorption cell. Use of a high-repetition-rate laser and expansion of the transmitted beam through a 400-mm telescope reduces the transmitted energy density to eye-safe levels. It is possible to look directly into the output beam without hazard. The receiver and transmitter use the same afocal telescope, simplifying the maintenance of stable alignment of the transmitter and receiver although the angular FOV is only 100 μrad. The small FOV and the 4-kHz repetition rate also limit the near-field signal strength, making it possible to record continuous profiles that start at an altitude of ~100 m and extend to 30 km using photon counting detectors. The small FOV also suppresses multiple scattering contributions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

On forced RF generation of CW magnetrons for SRF accelerators

CW magnetrons, initially developed for industrial RF heaters, were suggested to power RF cavities of superconducting accelerators due to their higher efficiency and lower cost of RF power per Watt than used traditionally klystrons, IOTs or solid-state amplifiers. RF amplifiers driven by a master oscillator serve as coherent RF sources. CW magnetrons are regenerative RF generators with a huge regenerative gain to start up reliably with self-excitation even if the tube is powered by a DC power supply. This causes regenerative instability with a large noise when a magnetron operates with the anode voltage above the threshold of self-excitation. Traditionally for stabilization of magnetrons is used injection locking by a signal PLock ≤ -20 dB or less then of the magnetron power PMag. Then the magnetron generates the injection locked oscillations and generates noise. This may preclude use of standard CW magnetrons in some SRF accelerators. We developed briefly described below a mode for forced coherent RF generation of CW magnetrons when the magnetron startup is provided by the injected forcing signal and the regenerative noise is suppressed. The mode is most suitable for powering high Q-factor SRF cavities.

Kazakevich, G.↗
DOE OSTI2024

Advanced Materials and Manufacturing Technologies Nondestructive Examination Efforts at Idaho National Laboratory: Report of FY-24 Efforts

This report details FY-24 nondestructive examination (NDE) efforts at Idaho National Laboratory (INL) in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. While the goal of this endeavor is to develop a multi-modal, multi-length scale workflow for nondestructive characterization of advanced manufactured (AM) nuclear reactor components, substantial development remains until this is a reality. In support of this effort X-ray computed tomography (XCT), X-ray diffraction (XRD), neutron computed tomography (nCT), neutron diffraction, lock-in thermography (LIT), multi-point lock-in thermography (MLIT), and positron annihilation spectroscopy (PAS) were all used on AM specimens to examine defects such as voids, porosity, and residual stress. In addition to summarizing the results of these NDE applications, recommendations for integrating these into a more comprehensive undertaking to promote NDE of engineering-scale components are also included.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Proton Improvement Plan II (PIP-II) Clock and Timing

The PIP-II timing system is planned to be a two-part system consisting of a global timing system (referred to as ACLK) that provides high level, event-based timing for the whole Fermilab accelerator complex while the second part is a RF synchronized clock system unique to the PIP-II Linac itself (referred to as LCLK). The ACLK System will make use of an external 10 MHz GPS based signal source as a reference for its 650 MHz phase lock as it is the reference frequency for the TCLK output of the system (needed to support legacy hardware around complex). The LCLK System will use a PIP-II Linac RF reference (162.5 MHz) from the Linac LLRF system to allow beam synchronized event placement. Both the ACLK and LCLK systems will have a clock output with a data frame of 16 event bits + 32 data bits with frames broadcast at 650 MHz, phase locked to the 10MHz reference in the case of ACLK and the PIP-II LLRF sourced 162.5 MHz reference in the case of LCLK.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Implementing a Laser Stabilization System for Trapping Ca+ Ions: an Internship Reflection

At Lawrence Livermore National Laboratory, I contributed to a project developing 3D printed micro ion traps for quantum computing. I designed, implemented, and assessed a laser stabilization system that locked lasers to the frequencies required for calibrating our High Finesse WS8-10 wavelength meter and for laser cooling and trapping of Ca+ ions. I also programmed a Python interface for hardware communication, data collection, and statistical analysis. Additionally, I optimized and aligned laser beam paths, and I implemented a closed digital feedback loop using Proportional, Integral, and Derivative (PID) control parameters. I analyzed both the long-term and short-term behavior of our locked lasers and adjusted PID parameters to enhance performance. Furthermore, I used COMSOL to simulate the capacitance of a linear Paul trap design and predict our trap’s performance. The procedures I developed for the interface, analysis, and simulations will continue to support the ion trapping experiment after my appointment. I strengthened my skills in data analysis, Python coding, and optical alignment for laser systems. My confidence as a researcher grew, particularly in communicating my research. This experience taught me the importance of careful planning and consideration in research and solidified my desire to continue exploring novel quantum technology as an undergraduate

42 ENGINEERING↗
DOE OSTI2025

On operation and control of CW magnetrons for superconducting accelerators

CW magnetrons, developed for industrial RF heaters, were suggested to feed RF cavities of superconducting accelerators due to higher efficiency and lower cost of RF power than provide traditionally used klystrons, IOTs or solid-state amplifiers. RF amplifiers driven by a master oscillator serve as coherent RF sources. CW magnetrons are regenerative RF auto generators with a huge regenerative gain. This causes regenerative instability with a notable noise when a magnetron operates as an auto generator i.e., with the anode voltage above the threshold of self-excitation. Traditionally, an injection locking by a small signal is used for phase stabilization of magnetrons. In this case CW magnetrons with the injection-locked (coherent) oscillations generate a notable level of noise. This may preclude use of CW magnetrons in this mode in the Superconducting RF (SRF) accelerators. This paper reviews PIC modeling and previously obtained experimental results for the operation and control of CW magnetrons, which led to the development of techniques most suitable for various SRF accelerators using forced RF oscillation of magnetrons, when the magnetron is launched by an injected forcing signal, and regenerative noise is suppressed.

Kazakevich, G. [MUONS Inc., Batavia] (ORCID:000000↗
DOE OSTI2026

Magnonic spontaneous oscillation induced by parametric pumping

Spontaneous dynamic systems have attracted significant attention for their rich underlying physics such as phase-locking and synchronization. In this work, we report a new mechanism of generating magnetic spontaneous oscillation via parametric pumping. By applying a pump tone to excite propagating spin waves in a yttrium iron garnet delay line, four-wave mixing converts the pump mode into two phase-autonomous propagating magnon modes, i.e. a spontaneous mode with nearly twice the wavenumber of the pump mode and an idler mode with nearly zero wavenumber. This allows us to reliably generate ultrasharp spin wave dynamics with broad frequency tunability from the pump and magnetic field. We show that the spontaneous mode can be phase-locked to a probe tone, similar to an auto-oscillator. Furthermore, the spontaneous dynamics can be used to implement a high-gain magnonic parametric amplifier with a gain up to 40 dB. Our results open a new avenue for studying nonlinear magnonics and synchronization physics in propagating magnon geometry and for developing new magnonic devices.

Li, Yi↗
DOE OSTI2024

Utah FORGE 1-2409: PetroQuip Energy Services Zonal Isolation Solution for Geothermal Wells - 2024 Annual Workshop Presentation

This is a presentation on the Zonal Isolation Solution for Geothermal Wells by PetroQuip Energy Services, presented by Robert Coon. This video slide presentation discusses the proposed design and development of a multi-stage system consisting of an Open-Hole Packer (OHP), a Locking Bridge Plug (LBP), and a corresponding Locating Profile (LP). This presentation was featured in the Utah FORGE R&D Annual Workshop on August 14, 2024.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Real-Time Wave Energy Converter Control Using Instantaneous Frequency

Wave Energy Converters (WECs) rely on effective Power Take-Off (PTO) control strategies to maximize energy absorption under dynamic sea conditions. Traditional hydrodynamic modeling techniques may require computationally intensive convolution calculations, making real-time control implementation challenging. This paper presents an alternative approach by leveraging instantaneous frequency estimation to dynamically adjust PTO damping in response to varying wave frequencies. Two real-time frequency estimation methods are explored: the Hilbert Transform (HT) and Phase-Locked Loop (PLL). The Hilbert Transform method provides accurate frequency tracking but introduces a delayed response due to its dependence on causal data. Conversely, the PLL approach demonstrates strong potential in frequency tracking but requires careful gain tuning, particularly in complex sea states. Comparative evaluations across multiple test cases—including sinusoidal variations, amplitude steps, frequency step changes, and real-world JONSWAP spectrum waves—highlight the strengths and limitations of each method. The two different PTO control techniques across the various frequency estimation methods were tested under real-sea states using a state-space model of a point-absorbing Wave Energy Converter. The Capture Width Ratio (CWR) is used as a performance metric, with results showing that the HT achieves a 10.6% improvement, while the PLL estimation yields a 0.9% improvement relative to the fixed parameter control baseline. These results highlight the effectiveness of real-time frequency estimation in improving energy absorption compared to static control parameters.

WEC control↗
DOE OSTI2024

Unlocking Electrostrain in Plastically Deformed Barium Titanate

Achieving substantial electrostrain alongside a large effective piezoelectric strain coefficient (d 33 *) in piezoelectric materials remains a formidable challenge for advanced actuator applications. Here, in this work, a straightforward approach to enhance these properties by strategically designing the domain structure and controlling the domain switching through the introduction of arrays of ordered {100}<100> dislocations is proposed. This dislocation engineering yields an intrinsic lock-in steady–state electrostrain of 0.69% at a low field of 10 kV cm -1 without external stress and an output strain energy density of 5.24 J cm -3 in single-crystal BaTiO 3 , outperforming the benchmark piezoceramics and relaxor ferroelectric single-crystals. Additionally, applying a compression stress of 6 MPa fully unlocks electrostrains exceeding 1%, yielding a remarkable d 33 * value over 10 000 pm V -1 and achieving a record-high strain energy density of 11.67 J cm -3 . Optical and transmission electron microscopy, paired with laboratory and synchrotron X-ray diffraction, is employed to rationalize the observed electrostrain. Phase-field simulations further elucidate the impact of charged dislocations on domain nucleation and domain switching. These findings present an effective and sustainable strategy for developing high-performance, lead-free piezoelectric materials without the need for additional chemical elements, offering immense potential for actuator technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coherent-Precipitation-Stabilized Phase Formation in Over-Stoichiometric Rocksalt-Type Li Superionic Conductors

Rationalizing synthetic pathways is crucial for material design and property optimization, especially for polymorphic and metastable phases. Over-stoichiometric rocksalt (ORX) compounds, characterized by their face-sharing configurations, are a promising group of materials with unique properties; however, their development is significantly hindered by challenges in synthesizability. Here, taking the recently identified Li superionic conductor, over-stoichiometric rocksalt Li–In–Sn–O (o-LISO) material as a prototypical ORX compound, the mechanisms of phase formation are systematically investigated. It is revealed that the spinel-like phase with unconventional stoichiometry forms as coherent precipitate from the high-temperature-stabilized cation-disordered rocksalt phase upon fast cooling. This process prevents direct phase decomposition and kinetically locks the system in a metastable state with the desired face-sharing Li configurations. This insight enables us to enhance the ionic conductivity of o-LISO to be >1 mS cm -1 at room temperature through low-temperature post-annealing. This work offers insights into the synthesis of ORX materials and highlights important opportunities in this new class of materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In Situ Exploration of Dipole Field Effects on Weak Hysteresis in 3D/2D Perovskites

This research delves into the effects of 2D layers on the functionality of 3D perovskite using lock-in amplifier-based in situ surface photovoltage (SPV) and its phase spectroscopy, with an emphasis on elucidating the connection between the tuning of dipole moments and the photocurrent hysteresis. Conventionally, the SPV of a perovskite/hole transport layer is observed to diminish as positive bias escalates. However, this trend is reversed in the case of 3D perovskite samples, where an augmentation in SPV is noted under positive bias. Notably, 3D/2D perovskite structures initially show a decrease, then an increase in SPV as bias intensifies, a phenomenon more pronounced with larger dipole moments in 2D. However, there is no linear relationship between the dipole moment and the hysteresis factor. Furthermore, using in situ light-chopping-frequency-modulated SPV and Kelvin Probe Force Microscopy, it is revealed that the dipole fields of 2D layers can hinder ion migration. This leads to efficient hole transfer and minimal photocurrent hysteresis in 3D/2D perovskites, providing strong evidence for the underlying cause of hysteresis. Additionally, these findings suggest intricate interplays among the external electric field, interface dipole moments, and surface photovoltaics, offering significant insights into perovskite optoelectronics.

3D/2D perovskite↗
DOE OSTI2025

The Role of Asparagine as a Gatekeeper Residue in the Selective Binding of Rare Earth Elements by Lanthanide‐Binding Peptides

Abstract Lanthanide‐binding tag (LBT) peptides selectively complex lanthanide cations (Ln 3+ ) in their binding pockets and are promising for lanthanide separation. However, designing LBTs that selectively target specific Ln 3+ cations remains a challenge due to limited molecular‐level understanding and control of interactions within the lanthanide‐binding pocket. In this study, we reveal that the N5 asparagine residue acts as a gatekeeper in the binding pocket, resulting in a 100‐fold selectivity for smaller Lu 3+ over larger La 3+ cations. Nuclear magnetic resonance spectroscopy and molecular dynamics simulations show that the N5 residue weakly binds to the larger La 3+ cation, permitting H 2 O molecules inside the pocket. For the smaller Lu 3+ cations, the N5 residue forms an inter‐arm hydrogen bond with the E14 glutamic acid residue, locking the Lu 3+ cation in the pocket and preventing H 2 O infiltration. Mutating the N5 asparagine to a D5 aspartic acid prevents such a hydrogen bond, eliminating the gatekeeping mechanism and precipitously reducing selectivity. The resulting binding affinity to Ln 3+ cations is non‐monotonic but generally increases with cation size. These results suggest a molecular design paradigm: the reduced affinity for larger lanthanides is due to open pocket conformations, while the selectivity of smaller Ln 3+ cations over larger ones is due to the gatekeeping hydrogen bond.

Chemistry↗
DOE OSTI2026

Exploration of Nirmatrelvir Derivatives as Optimized SARS‐CoV‐2 Antivirals

Nirmatrelvir (NMV) is a SARS‐CoV‐2 antiviral component of the approved COVID‐19 therapeutic Paxlovid. It is a reversible covalent inhibitor of SARS‐CoV‐2 main protease (M Pro ) that is effluxed from human cells by P‐glycoprotein (P‐gp). To identify NMV analogs with improved potency and reduced P‐gp efflux, a structure–activity relationship campaign was conducted. Warheads alternative to nitrile for engaging the active site cysteine were tested showing aldehyde and dichloroacetamide with better enzyme inhibition potency. Crystal structure of MPI‐136−M Pro shows its aldehyde warhead forming a thiohemiacetal with active Cys145 of M Pro . Several S4 binders were explored revealing that an O‐to‐S shift at the N ‐terminal amide leads to better enzyme inhibition. By exploring different combinations of S2, S3, and S4 binders, two inhibitors with better enzyme inhibition potency than NMV were found. Crystal structure of MPI‐148, with ( S )‐2‐azaspiro[4,5]decane‐3‐carboxylate as an alternative S2 binder, shows extensive hydrogen‐bond networks for locking the inhibitor in active site, explaining high affinity of NMV analogs. Further characterization of cellular M Pro engagement and antiviral potency against SARS‐CoV‐2 revealed four inhibitors with greater potency than NMV in P‐gp‐expressing cells. Studies with the P‐gp inhibitor CP‐100356 showed that these compounds were less sensitive to P‐gp inhibition than NMV, consistent with reduced P‐gp‐mediated efflux.

Alugubelli, Yugendar R. [Texas A&M Drug Discovery ↗
DOE OSTI2024

A layered solid finite element formulation with interlaminar enhanced displacements for the modeling of laminated composite structures

Accurate modeling of layered composite structures often requires the use of detailed finite element models which can sufficiently resolve the kinematics and material behavior within each layer of the composite. However, individually discretizing each material layer into finite elements presents a prohibitive computational expensive given the large number of thin layers comprising some laminated composites. To address these challenges, an 8-node layered solid hexahedral finite element is formulated with the aim of striking an appropriate balance between efficiency and fidelity. The element is discretized into an arbitrary number of distinct material layers, and employs reduced in-plane integration within each layer. The chosen reduced integration scheme is supplemented by a novel physical stabilization approach which includes layerwise enhancements to mitigate various forms of locking phenomena. The proposed framework additionally supports the inclusion of interlaminar enhanced displacements to better represent the kinematics of general layered composite materials. Finally, the described element formulation has been implemented in the ParaDyn finite element code, and its efficacy for modeling laminated composite structures is demonstrated on a variety of verification problems.

42 ENGINEERING↗
DOE OSTI2024

Physics-preserving enriched Galerkin method for a fully-coupled thermo-poroelasticity model

This paper proposes a new numerical method for a fully-coupled, quasi-static thermo-poroelasticity model in a unified enriched Galerkin (EG) method framework. In our method, the mechanics sub-problem is solved using a locking-free EG method, and the flow and heat sub-problems are solved using a locally-conservative EG method. The proposed method offers mass and energy conservation properties with much lower costs than other methods with the same properties, including discontinuous Galerkin methods and mixed finite element methods. The well-posedness and optimal a priori error estimates are carefully derived. Here, several numerical tests confirm the theoretical optimal convergence rates and the mass and energy conservation properties of the new method.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

GraphTango: A Hybrid Representation Format for Efficient Streaming Graph Updates and Analysis

Abstract Streaming graph processing performs batched updates and analytics on a time-evolving graph. The underlying representation format of the graph largely determines the throughputs of these updates and analytics phases. Existing representation formats usually employ variations of hash tables or adjacency lists. However, a recent study showed that the adjacency-list-based approaches perform poorly on heavy-tailed graphs, and the hash table-based approaches suffer on short-tailed graphs. We propose GraphTango, a hybrid representation format that provides excellent update and analytics throughput regardless of the graph’s degree distribution. GraphTango dynamically switches among three different formats based on a vertex’s degree: (i) Low-degree vertices store the edges directly with the neighborhood metadata, confining accesses to a single cache line, (2) Medium-degree vertices use adjacency lists, and (3) High-degree vertices use hash tables as well as adjacency lists. In this case, the adjacency list provides fast traversal during the analytics phase, while the hash table provides constant-time lookups during the update phase. We further optimized the performance by designing an open-addressing-based hash table that fully utilizes every fetched cache line. In addition, we developed a thread-local lock-free memory pool that allows fast growing/shrinking of the adjacency lists and hash tables in a multi-threaded environment. We evaluated GraphTango with the help of the SAGA-Bench framework and compared it with four other representation formats: Stinger, Degree-aware Robin Hood Hashing, and two adjacency list-based formats with different workload balancing scheme. On average, GraphTango provides 4.5x higher insertion throughput, 3.2x higher deletion throughput, and 1.1x higher analytics throughput over the next best format. Furthermore, we integrated GraphTango with the state-of-the-art graph processing frameworks DZiG and RisGraph. Compared to the vanilla DZiG and vanilla RisGraph , [ GraphTango + DZiG ] and [ GraphTango + RisGraph ] reduces the average batch processing time by 2.3x and 1.5x, respectively.

Ahmed, Alif↗
DOE OSTI2026

Validation Data for Benchmarking Wire Arc Additive Manufacturing Process Simulations

Residual stresses cause geometric distortion and affect mechanical performance of additively manufactured structures, yet they are notoriously difficult to assess and predict. Distortion (warpage) can drive parts outside dimensional tolerance limits, leading to part rejection or rework. For parts that meet tolerance, locked-in residual stress fields can affect structural integrity during operation, particularly subcritical cracking by fatigue, creep, or corrosion. This work develops benchmark data for a common additive manufacturing process (Wire Arc Additive Manufacturing) that can be applied for calibration and validation of physical process models that predict residual stress fields. The work includes design of two different samples of differing geometry, detailed manufacturing records for a set of physical samples, and an extensive set of residual stress measurement data developed using two diverse techniques (the contour method and neutron diffraction). An initial application of the work is also reported, where a modeling challenge was issued to secure residual stress model predictions from two independent laboratories that were blind to residual stress measurement data. These initial blind residual stress predictions show significant discrepancies relative to the measurement data, illustrating the potential value of the underlying validation data. An open repository for this work, including the sample designs, manufacturing process records, and the residual stress data, is also provided for future application in non-blind validation efforts.

36 MATERIALS SCIENCE↗