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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Site-Selective Probes of Mixed-Node Metal Organic Frameworks for Photocatalytic Hydrogen Generation

Metal organic frameworks (MOFs) have emerged as a novel platform offering new promise for photocatalytic applications. In this work, we report a mixed-node MOF (MOF-74) based on earth-abundant metals (i.e., Co and Fe) as highly active and robust photocatalysts for visible light-driven H 2 generation. Using in situ X-ray absorption spectroscopy which allows us to selectively probe the individual metal node in MOFs, we unambiguously identified the catalytic active sites and captured the key intermediate species under the standard catalytic conditions. We show that both Co and Fe centers in MOF-74 are the reversible active sites, and the accumulation of their reduced states is responsible for the observed induction period for H 2 generation. Moreover, we captured the key intermediate species formed when the reaction reaches equilibrium, which is featured by an elongated Co–O bond at the Co center and a more distorted octahedral geometry at the Fe center with respect to their original geometry. These results not only demonstrate the potential of MOF-74 as a single site catalyst for H 2 generation but also provide new insight into the catalytic mechanism for further development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Semi-Supervised, Non-Intrusive Disaggregation of Nodal Load Profiles With Significant Behind-the-Meter Solar Generation

It is of imperative interests for regional transmission organizations (RTOs) to effectively extract actual load profiles at transmission nodes with significant behind-the-meter solar generation, which remains a gap in the existing technology paradigm. This paper proposes an explicit yet efficient linear estimator to disaggregate actual load profiles at transmission buses with significant behind-the-meter (BTM) solar generations. The proposed estimator is based on disaggregating (i.e., extracting) at locations close to transmission buses under consideration. Further, to overcome the lack of “ground truth” and validate the performance of the proposed algorithms, we first propose semi-supervised mechanisms with parameter tuning as well as unsupervised clustering and leverage the unique characteristics of zero-crossing points in BTM solar peaking behaviors, which we refer to as “Zone-to-Node (Z2N)” methods. Next, we further propose a bi-level Node-to-Node (N2N) framework that improves the overall disaggregation performances compared to Z2N. Numerical results are presented using real-world data at PJM Interconnection.

14 SOLAR ENERGY↗
DOE OSTI2023

Comprehensive Analysis of Model Parameter Uncertainty Influence on Evaluation of HVAC Operation to Mitigate Indoor Virus: A Case Study for an Office Building in a Cold and Dry Climate

Simulation-based studies of HVAC operation to mitigate indoor virus have been conducted to understand tradeoffs between indoor air quality (IAQ) and energy consumption. However, the influence of model parameter uncertainty in these studies has not been systematically quantified, which is critical when providing guidance to building operators. To address this gap, we identify 20 model parameters for a typical medium office building system in a cold and dry climate that can influence IAQ and energy consumption for indoor virus scenarios. Next, the distributions of the parameter values are estimated from literature and a set of simulation samples for three representative days is generated that simultaneously sample all of the parameters from their distributions. Two HVAC virus mitigation strategies are studied: increased filtration using MERV 13 filters and increased ventilation, via supply of 100% outdoor air into buildings. The model parameter uncertainty leads to significant variability in the results, particularly for the IAQ because of the highly uncertain virus generation rate. Use of 100% outdoor air can be beneficial for some uncertain scenarios on the hot day, but shows less IAQ improvement and/or significant energy increases on the other days. The virus removal efficiency and pressure drop of the HVAC filter, fan efficiency, and internal heat gain are the most important parameters to determining the tradeoffs of the two strategies. Our results demonstrate how this model parameter uncertainty analysis methodology can provide practical guidance to building operators.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

The EGS Collab project: Outcomes and lessons learned from hydraulic fracture stimulations in crystalline rock at 1.25 and 1.5 km depth

With the goal of better understanding stimulation in crystalline rock for improving enhanced geothermal systems (EGS), the EGS Collab Project performed a series of stimulations and flow tests at 1.25 and 1.5 km depths. The tests were performed in two well-instrumented testbeds in the Sanford Underground Research Facility in Lead, South Dakota, United States. The testbed for Experiment 1 at 1.5 km depth contained two open wells for injection and production and six instrumented monitoring wells surrounding the targeted stimulation zone. Four multi-step stimulation tests targeting hydraulic fracturing and nearly year-long ambient temperature and chilled water flow tests were performed in Experiment 1. The testbed for Experiments 2 and 3 was at 1.25 km depth and contained five open wells in an outwardly fanning five-spot pattern and two fans of well-instrumented monitoring wells surrounding the targeted stimulation zone. Experiment 2 targeted shear stimulation, and Experiment 3 targeted low-flow, high-flow, and oscillating pressure stimulation strategies. Hydraulic fracturing was successful in Experiments 1 and 3 in generating a connected system wherein injected water could be collected. However, the resulting flow was distributed dynamically, and not entirely collected at the anticipated production well. Thermal breakthrough was not observed in the production well, but that could have been masked by the Joule-Thomson effect. Shear stimulation in Experiment 2 did not occur - despite attempting to pressurize the fractures most likely to shear - because of the inability to inject water into a mostly-healed fracture, and the low shear-to-normal stress ratio. The EGS Collab experiments are described to provide a background for lessons learned on topics including induced seismicity, the correlation between seismicity and permeability, distributed and dynamic flow systems, thermoelastic and pressure effects, shear stimulation, local geology, thermal breakthrough, monitoring stimulation, grouting boreholes, modeling, and system management.

15 - GEOTHERMAL ENERGY↗
DOE OSTI2023

A net-zero emissions strategy for China’s power sector using carbon-capture utilization and storage

Decarbonized power systems are critical to mitigate climate change, yet methods to achieve a reliable and resilient near-zero power system are still under exploration. This study develops an hourly power system simulation model considering high-resolution geological constraints for carbon-capture-utilization-and-storage to explore the optimal solution for a reliable and resilient near-zero power system. This is applied to 31 provinces in China by simulating 10,450 scenarios combining different electricity storage durations and interprovincial transmission capacities, with various shares of abated fossil power with carbon-capture-utilization-and-storage. Here, we show that allowing up to 20% abated fossil fuel power generation in the power system could reduce the national total power shortage rate by up to 9.0 percentages in 2050 compared with a zero fossil fuel system. A lowest-cost scenario with 16% abated fossil fuel power generation in the system even causes 2.5% lower investment costs in the network (or $16.8 billion), and also increases system resilience by reducing power shortage during extreme climatic events.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Mass-selected ion–molecule cluster beam apparatus for ultrafast photofragmentation studies

We describe an apparatus for investigating the excited-state dissociation dynamics of mass-selected ion–molecule clusters by mass-resolving and detecting photofragment-ions and neutrals, in coincidence, using an ultrafast laser operating at high repetition rates. The apparatus comprises a source that generates ion–molecule clusters, a time-of-flight spectrometer, and a mass filter that selects the desired anions, and a linear-plus-quadratic reflectron mass spectrometer that discriminates the fragment anions after the femtosecond laser excites the clusters. The fragment neutrals and anions are then captured by two channeltron detectors. The apparatus performance is tested by measuring the photofragments: I – , CF 3 I – , and neutrals from photoexcitation of the ion–molecule cluster CF 3 I·I – using femtosecond UV laser pulses with a wavelength of 266 nm. Here, the experimental results are compared with our ground state and excited state electronic structure calculations as well as the existing results and calculations, with particular attention to the generation mechanism of the anion fragments and dissociation channels of the ion–molecule cluster CF 3 I·I – in the charge-transfer excited state.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Simultaneous type-I and type-II phase matching for second-order nonlinearity in integrated lithium niobate waveguide

Second-order optical nonlinearity is widely used for both classical and quantum photonic applications. Due to material dispersion and phase matching requirements, the polarization of optical fields is pre-defined during the fabrication. Only one type of phase matching condition is normally satisfied, and this limits the device flexibility. Here, we demonstrate that phase matching for both type-I and type-II second-order optical nonlinearity can be realized simultaneously in the same waveguide fabricated from thin-film lithium niobate. This is achieved by engineering the geometry dispersion to compensate for the material dispersion and birefringence. The simultaneous realization of both phase matching conditions is verified by the polarization dependence of second-harmonic generation. Correlated photons are also generated through parametric down conversion from the same device. This work provides a novel approach to realize versatile photonic functions with flexible devices.

Briggs, Ian↗
DOE OSTI2023

Space charge trap-assisted recombination suppressing layer for low-voltage diode operation

Shockley-Read-Hall (SRH) generation and/or recombination in heterojunction devices is suppressed by unconventional doping at or near the heterointerface. The effect of this doping is to shift SRH generation and/or recombination preferentially into the wider band gap material of the heterojunction. This reduces total SRH generation and/or recombination in the device by decreasing the intrinsic carrier concentration ni at locations where most of the SRH generation and/or recombination occurs. The physical basis for this effect is that the SRH generation and/or recombination rate tends to decrease as ni around the depletion region decreases, so decreasing the effective ni in this manner is a way to decrease SRH recombination.

Santhanam, Parthiban↗
DOE OSTI2021

CO 2 -assisted ethane aromatization over zinc and phosphorous modified ZSM-5 catalysts

The tandem reactions of CO 2 -assisted oxidative dehydrogenation and aromatization (CO 2 -ODA) of ethane were investigated over ZSM-5 modified with zinc (Zn) and phosphorus (P) by experimental studies and DFT calculations. The nature of active Zn species and their interaction with P were elucidated for understanding Zn/P-ZSM-5 catalyzed CO 2 -ODA reaction of ethane. Compared to the direct dehydrogenation and aromatization (DDA) reaction, the Zn/P-ZSM-5 catalyst possessed higher ethane conversion, enhanced aromatics yield, and better stability in the CO 2 -ODA reaction. Here, the presence of CO 2 reduced the carbon deposition, stabilized the Zn species, and thereby facilitated the generation of more liquid aromatics in CO 2 -assisted ethane aromatization. In situ characterization and DFT calculations provided insight into the mechanisms of CO 2 -ODA over the Zn/P-ZSM-5 catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Generation of Rare Earth Metals from Rare Earth Oxide Using Microwave Plasmas

The overarching goal of the proposed project is to develop a simple, energy-saving, high-selectivity technology for efficiently converting rare-earth oxides (REOs) to rare-earth metals (RE-metals) using microwave plasma under low temperature and inexpensive H 2 and N 2 . The project was managed and led by Dr. Maohong Fan at the University of Wyoming. The collaborating institutions include Ames Lab and Colorado School of Mines. The industrial collaboration entity is Eutectix, LLC. The use of hydrogen to reduce rare earth oxides has many advantages, as it is renewable and does not produce harmful emissions during metal production. Also, it avoids the use of carbon and the emission of CO 2 . Nd 2 O 3 treated with hydrogen plasma shows new peaks alongside those of Nd 2 O 3 . Some of these peaks are close to (28.4, 29.4, 30.5, 32.3, 36.6, 42.1, 48.9, 50.08, 55.1, 59.05, 59.64, 60.68, 62.5, 63.25), which may be related to elemental Nd.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Synthetic High Impedance Fault Data through Deep Convolutional Generated Adversarial Network

High impedance faults (HIFs) have always been significant challenge in the power grids. Researchers have developed some advanced protective methods to detect the HIFs. To test and validate these methods, large amounts of HIF data are required. This paper presents a synthetic HIF data generating method using the deep convolutional generated adversarial network (DCGAN). The DCGAN includes a generator module to create synthetic HIF waveform from random noises; and a discriminator module to identify the flaws of those synthetic data, which ultimately help improve the quality of the synthetic data created by the generator. To test the fidelity of the generated synthetic HIF data, two different HIF-detection methods have been applied. Extensive simulation results have validated the effectiveness of using the DCGAN to create synthetic HIF data.

Yang, Kun↗
DOE OSTI2025

Giant Cloud Condensation Nuclei Facilitate Drizzle Formation in Stratocumulus—Insights From a Combined Observation‐Modeling Framework

The mechanism for initiating drizzle drop remains a gap in the current understanding of warm rain formation. One prevalent hypothesis suggests that the presence of Giant Cloud Condensation Nuclei (GCCN) generates drizzle‐sized drops necessary to trigger the Collision‐Coalescence (C‐C) process. Here, in this study, this hypothesis is investigated using a novel framework that integrates in situ observations, remote sensing measurements, and idealized models. Results show that GCCN can efficiently generate drizzle drops through condensation, producing a broad Droplet Size Distribution (DSD) comparable to in situ observations. The large drizzle drop and broad DSD strongly facilitate C‐C, further accelerating drizzle initiation. To compare with observation, the model‐generated DSDs are used to generate radar Doppler spectra where radar reflectivity and Doppler skewness is estimated. The simulated radar quantities correspond well with radar observations, providing critical evidence for the GCCN‐induced drizzle initiation mechanism.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Simultaneously improved reversibility and hydrogen production of solid oxide cells through infiltrating air electrode

Among the various fuel cells, solid oxide cells (SOCs) are the unique type that can principally operate reversibly as either fuel cells to produce electricity or as an electrolyser to split water and produce green hydrogen (H 2 ). Nevertheless, the SOCs' reversibility presents enormous challenges that are manifested by the fast degradation through the cycling between fuel cell and electrolysis mode. While the La 0.8 Sr 0.2 MnO 3 /yttria-stabilized zirconia (LSM/YSZ) air electrode possesses significant advantages in terms of high electrical conductivity and high thermal stability under fuel cell mode, the SOCs with the LSM/YSZ air electrode experience rapid performance degradation with catastrophic electrode delamination shortly after switching from fuel cell to electrolysis mode. To prevent such catastrophic delamination and enable the electrolysis H 2 production, a chemical solution with the designed chemistry of SrFe 2 O 4-d was infiltrated into the LSM/YSZ air electrode. The infiltration immediately mitigates the catastrophic delamination, and the infiltrated cells exhibit significantly improved reversibility upon the electrochemical operation. Nanostructure examination reveals nanoscale cracks and second-phase nanograins formed in the air electrode from the baseline cell. By contrast, no delamination was observed at either the micron or the nanoscale for the infiltrated cell, which is attributed to the increased ion conductivity of the Fe-doped LSM mixed conductor induced by the significant interdiffusion between the LSM backbone and infiltrates. Here, this study presents a viable method for preventing electrode delamination while enhancing the durability of H 2 production and power generation for reversible fuel cell/electrolysis cell operation. It further opens new research directions of modifying the electrochemical activity of the electrode of inherently functional cells through the infiltration of the solutions with different chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A Digital Twin for an Inverter-Based Resource Power Plant: Real-time data streaming unlocks situation awareness

Here, this study presents the development and successful implementation of a digital twin specifically designed for a grid-connected IBR power plant. By integrating a reduced-order model of the IBR system and dynamically updating the grid impedance with real-time data, the digital twin effectively captures and replicates the behavior of the physical system. Its accuracy and reliability are validated through critical test scenarios, including a three-phase fault and a line-tripping event. The results confirm that the digital twin closely emulates its physical counterpart, demonstrating its strong potential for real-time analysis, system monitoring, and predictive decision making in modern power systems.

Digital twins↗
DOE OSTI2023

Quaternary slip rates and most recent surface rupture of the Bitterroot fault, western Montana

The Bitterroot fault is a ~100-km-long Quaternary active normal fault that bounds the eastern margin of the north–south-trending Bitterroot Mountains and accommodates extension near the Intermountain Seismic Belt. Here, new detailed mapping using high-resolution topographic data derived from light detection and ranging (lidar) along the southern Bitterroot Range documents multiple generations of fault scarps in Holocene–Pleistocene deposits with vertical off sets that increase in magnitude with age. Fault mapping indicates a complex fault geometry characterized by an en echelon pattern of discontinuous segments of 41–78° east-dipping normal faults that appear to cut the older Eocene detachment fault, and locally 70–88° west-dipping antithetic normal faults. 10 Be cosmogenic exposure dating provides in situ age control for 32 surface boulders (>1 m) sampled in glacial deposits. Near Como Dam, two Pinedale-age glacial moraine sequences yield peak age distributions of 15.0 ± 0.4 ka and 16.4 ± 0.6 ka as apparent exposure ages (e = 0), and 15.4 ± 0.4 ka and 16.8 ± 0.6 ka based on the maximum allowed boulder surface erosion rate (e = 2 mm/ka). Vertical separation of 3.5 ± 0.2 m across the ~16–17 ka glacial moraine off set by the Bitterroot fault scarp yields a fault slip rate of 0.2–0.3 mm/yr. Glacial Lake Missoula highstand shorelines, inset into the ~15 ka glacial moraine and vertically off set 4.6 ± 1.6 m by an antithetic strand of the Bitterroot fault, yield fault slip rates of 0.2–0.5 mm/yr that overlap with fault slip rates on the main strand near Lake Como (0.2–0.3 mm/yr). At the Ward Creek fan located ~15 km to the north of Lake Como, two glacial debris fan sequences yield peak age distributions of 16.6 ± 0.4 ka and 62.8 ± 1.7 ka (e = 0), and 17.0 ± 0.4 ka and 69.9 ± 2.2 ka (e = 2 mm/ka). Vertical separations of 2.4 ± 0.3 m and 4.5 ± 0.2 m on the ~17 ka and ~63–70 ka fan surfaces off set by the Bitterroot fault yield fault slip rates of 0.2–0.3 mm/yr and 0.1 mm/yr, respectively. Our results indicate broadly consistent fault slip rates for the main fault segments at Lake Como (0.2–0.3 mm/yr) and the Ward Creek fan (0.1–0.3 mm/yr) with an along-strike range of 0.1–0.3 mm/yr for the southern Bitterroot fault. Fault scaling relations and evidence of multiple late Quaternary fault surface ruptures suggest the Bitterroot fault could produce a Mw ~7.2 earthquake. Structural model constraints and our slip rate results indicate both high-angle or low-angle fault geometries are possible at depth. A seismogenic low-angle fault model could generate a larger earthquake of Mw >7.2. Earthquake history is unknown for the Bitterroot fault, but fault scarps in young glacial deposits demonstrate its seismogenic potential. Data from this study suggest seismic hazards from the Bitterroot fault may pose a high level of risk to the Missoula metropolitan area, the State’s second most populous region, and major infrastructures across the Missoula and Bitterroot Valleys.

58 GEOSCIENCES↗
DOE OSTI2022

Generation and regulation of electromagnetic pulses induced by hybrid laser pulses interacting with solid targets

In inertial confinement fusion, electromagnetic pulses (EMPs) can be produced during high-power laser interacting with solid targets, which are intimately related to laser intensity and laser energy. In this study, EMPs generated by hybrid laser pulses coupling with targets are recorded and analyzed. The results indicate that a single picosecond laser gives birth to the most intense EMPs, but they are remarkably suppressed when a nanosecond laser-shooting target is triggered before the picosecond and femtosecond laser. One possible hypothesis is proposed based on x-rays inducing pre-ablation that generates pre-plasma at the surfaces of the picosecond target and femtosecond target, leading to a sharp drop both in the energy and number of the emitting hot electrons and protons. Here, the findings will deepen our understanding of the mechanism of EMPs' generation and will also open a new avenue to regulate EMPs by hybrid laser pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗