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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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Statistical Performance of Forced Oscillation Detectors in the Presence of Missing Measurements

In bulk power systems, measurement-based monitoring for large oscillations can help maintain system reliability. One of the challenges encountered in a recent field demonstration was the unavailability of measurements due to underlying measurement quality or communication problems. During the demonstration, the oscillation detector ignored a measurement location if even 10 seconds of data was missing. To extend the detector's ability to operate in these conditions, this paper evaluates the impact of three methods for addressing missing data. The strengths and weaknesses of each approach are evaluated using theoretical expressions for the probability of detection along with results from simulated data and publicly available field measurements. Based on these results, a suitable approach is identified that can extend the oscillation detector's performance when large segments of data are missing.

Follum, James D.↗
DOE OSTI2021

Data from: "Ecophysiological variation in two provenances of Pinus flexilis seedlings across an elevation gradient from forest to alpine"

This archive contains data used to support conclusions drawn in “Ecophysiological variation in two provenances of Pinus flexilis seedlings across an elevation gradient from forest to alpine”, by Reinhardt et al., 2011. Data were collected over one summer season in plots within the Alpine Treeline Warming Experiment (ATWE), before climate manipulations began. The experiment was located on Niwot Ridge, in the Front Range of the Colorado Rocky Mountains. This data package includes five comma-separated-values (.csv) files, five Microsoft Excel (.xlsx) files, one .pdf file, and two types of geospatial files: keyhole markup language (.kml), and ESRI shapefiles (.shp). .csv files can be opened using any simple text-editing software (such as Notepad and TextEdit), R, and Microsoft Excel. .xlsx files can only be opened using Microsoft Excel. The .pdf file can be opened using Adobe Acrobat Reader or any other compatible file viewing software. The .kml file can be opened using Google Earth and Google Maps, and shapefiles can be opened using any software compatible with the file type, such as ESRI’s ArcGIS suite and QGIS.Data archived contain gas exchange and plant physiology measurements, non-structural carbohydrate data, among others. Geospatial files are also provided for additional locational context. The files and their contents in this data package are summarized under "Data Summary" in the included Data User's Guide. All files (excluding geospatial) are available in both Microsoft Excel and in .csv format, and are indicated in the Data Summary list as well.-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------Climate change is predicted to cause upward shifts in forest tree distributions, which will require seedling recruitment beyond current forest boundaries. However, predicting the likelihood of successful plant establishment beyond current species’ ranges under changing climate is complicated by the interaction of genetic and environmental controls on seedling establishment. To determine how genetics and climate may interact to affect seedling establishment, we transplanted recently germinated seedlings from high- and low-elevation provenances (HI and LO, respectively) of Pinus flexilis in common gardens arrayed along an elevation and canopy gradient from subalpine forest into the alpine zone and examined differences in physiology and morphology between provenances and among sites. Plant dry mass, projected leaf area and shoot:root ratios were 12–40% greater in LO compared with HI seedlings at each elevation. There were no significant changes in these variables among sites except for decreased dry mass of LO seedlings in the alpine site. Photosynthesis, carbon balance (photosynthesis/respiration) and conductance increased >2× with elevation for both provenances, and were 35–77% greater in LO seedlings compared with HI seedlings. There were no differences in dark-adapted chlorophyll fluorescence (Fv/Fm) among sites or between provenances. Our results suggest that for P. flexilis seedlings, provenances selected for above-ground growth may outperform those selected for stress resistance in the absence of harsh climatic conditions, even well above the species’ range limits in the alpine zone. This indicates that forest genetics may be important to understanding and managing species’ range adjustments due to climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Optimized allocation method of the VSC-MTDC system for frequency regulation reserves considering the cost

In recent years, the interconnection of asynchronous power grids through the VSC-MTDC system has been proposed and extensively studied in light of the potential benefits of economical bulk power exchanges and frequency regulation reserves sharing. This paper proposed an optimized allocation method for sharing frequency regulation reserves among the interconnected power systems and the corresponding frequency regulation control of the VSC-MTDC system under emergency frequency deviation events. Firstly, the frequency regulation reserve classification is proposed. In the classification, the available frequency response capacity reserves of each interconnection are divided into commercial reserves and regular reserves. While the commercial reserves are procured through long-term contracts, the regular reserves are purchased based on market prices of frequency regulation services. Secondly, based on the proposed frequency regulation reserve classification, a novel frequency regulation control is then introduced for the VSC-MTDC system. This control method could minimize the costs of the disturbed power grid for the needed frequency response supports from the other power grids. Simulation verifications are performed on a modified IEEE 39 bus system and a highly reduced power system model representing the North American grids. The simulation verification indicates that the developed frequency regulation control significantly reduced ancillary service costs of the disturbed power grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

Epitaxy of Beta-Ga2O3 on Highly-Offcut (Greater than 10 Degrees) Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction.1 These films show step-flow growth from (-201) step-edges and high electron mobility. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (4.8 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe 100% reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Salt-Assisted 2H-to-1T' Phase Transformation of Transition Metal Dichalcogenides [plus supplemental information]

Phase engineering of nanomaterials (PEN) has demonstrated great potential in the fields of catalysis, electronics, energy storage and conversion, and condensed matter physics. Recently, transition metal dichalcogenides (TMDs) with unconventional metastable phases (e.g., 1T and 1T') have attracted increasing research interest due to their unique and appealing physicochemical properties. However, there is still a lack of a simple, universal, and controlled method for the preparation of large-scale and high-purity unconventional-phase TMD crystals, restricting their further fundamental study and practical applications. Here, a facile, one-step salt-assisted general strategy is reported for the controlled phase transformation of commercially available TMDs with conventional 2H phase, yielding a large amount of metastable 1T'-phase TMDs, including WS 2 , WSe 2 , MoS 2 , and MoSe 2 . It is found that the easily accessible metal salts, such as K 2 C 2 O 4 ·H 2 O, K 2 CO 3 , Na 2 CO 3 , Rb 2 CO 3 , Cs 2 CO 3 , KHCO 3 , NaHCO 3 , and NaC 2 O 4 , can be used to assist the 2H-to-1T' phase transformation, greatly simplifying the synthetic process for producing metastable 1T'-TMDs. Importantly, this method can also be used to prepare 1T'-TMD alloys, such as 1T'-WS 2x Se 2(1–x) . We report this newly developed strategy is robust and highly effective, which can also be used for the phase engineering of other materials with various polymorphs.

1T′ phase↗
DOE OSTI2021

Nickel-based superalloy single crystals fabricated via electron beam melting

Additive manufacturing technologies have emerged as potential disruptive processes whose possible impacts range from supply chain logistics, prototyping, and novel materials synthesis. Numerous works illustrate the ability to control mi- crostructure in fusion based processes and a few recent authors have even produced single crystals. However, a number of open questions remain regarding the process window which enables printing of single crystals. Furthermore, it has been observed that these additively manufactured single crystals exhibit a preferred $\langle$011$\rangle$ secondary orientation. In this work we investigate fabrication conditions which enable printing of single crystals via electron beam melting. A space filling design of experiments is utilized to efficiently explore the fabrication space. Single crystals were success- fully obtained using both commercially available powders and custom melt alloys. Microstructures obtained via these exploratory experiments exhibited a continuum of columnar structures ranging from weakly textured polycrystals, near single crystal, and fully single crystalline material. Complex geometry experiments are performed to study the grain selection mechanism. We find that the grain selection mechanism is independent of the bulk scale geometry and must therefore by driven by local heat transfer and solidification dynamics. Furthermore, grain selection is shown to be driven by competing driving forces; one which prefers epitaxial growth and another which is driven by the imposed scan pattern geometry. Finally, a mechanism is proposed for the anomalous secondary orientation preference.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Encoding nonlinear and unsteady aerodynamics of limit cycle oscillations using nonlinear sparse Bayesian learning

This article investigates the applicability of a recently proposed, nonlinear sparse Bayesian learning (NSBL) algorithm to identify and estimate the complex aerodynamics of limit cycle oscillations. NSBL provides a semi-analytical framework for determining the data-optimal sparse model nested within a (potentially) over-parameterized model. This is particularly relevant to nonlinear dynamical systems where modelling approaches involve the use of physics-based and data-driven components. In such cases, the data-driven components, where analytical descriptions of the physical processes are not readily available, are often prone to overfitting, meaning that the empirical aspects of these models will often involve the calibration of an unnecessarily large number of parameters. While an overparameterized model may fit the observed data well, such models may be inadequate for making predictions in regimes that are different from those wherein the data were recorded. In view of this, it is desirable to not only calibrate the model parameters, but also identify the optimal compromise between data fit and model complexity. In this article, we exhibit the optimal model discovery for an aeroelastic system wherein the structural dynamics are well-known and described by a differential equation model, coupled with a semi-empirical aerodynamic model for laminar separation flutter, resulting in low-amplitude limit cycle oscillations (LCO). To illustrate the performance of the algorithm, in this article, we use synthetic data and demonstrate the ability of the algorithm to correctly rediscover the optimal model and model parameters, given a known data-generating model. The synthetic data are generated from a forward simulation of a known differential equation model with parameters selected so as to mimic the dynamics observed in wind-tunnel experiments. Subsequently, we demonstrate the performance of the algorithm for model selection using noisy LCO data from wind tunnel experiments. As there is no ground truth available for the experimental data case, we provide a comparison between NSBL and Bayesian model selection to validate the results, and demonstrate the use of NSBL as an efficient alternative to traditional methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Preparation of cyclohexene isotopologues and stereoisotopomers from benzene

The hydrogen isotopes deuterium (D) and tritium (T) have become essential tools in chemistry, biology and medicine1. Beyond their widespread use in spectroscopy, mass spectrometry and mechanistic and pharmacokinetic studies, there has been considerable interest in incorporating deuterium into drug molecules1. Deutetrabenazine, a deuterated drug that is promising for the treatment of Huntington’s disease2, was recently approved by the United States’ Food and Drug Administration. The deuterium kinetic isotope effect, which compares the rate of a chemical reaction for a compound with that for its deuterated counterpart, can be substantial1,3,4. The strategic replacement of hydrogen with deuterium can affect both the rate of metabolism and the distribution of metabolites for a compound5, improving the efficacy and safety of a drug. The pharmacokinetics of a deuterated compound depends on the location(s) of deuterium. Although methods are available for deuterium incorporation at both early and late stages of the synthesis of a drug6,7, these processes are often unselective and the stereoisotopic purity can be difficult to measure7,8. Here we describe the preparation of stereoselectively deuterated building blocks for pharmaceutical research. As a proof of concept, we demonstrate a four-step conversion of benzene to cyclohexene with varying degrees of deuterium incorporation, via binding to a tungsten complex. Using different combinations of deuterated and proteated acid and hydride reagents, the deuterated positions on the cyclohexene ring can be controlled precisely. In total, 52 unique stereoisotopomers of cyclohexene are available, in the form of ten different isotopologues. This concept can be extended to prepare discrete stereoisotopomers of functionalized cyclohexenes. Such systematic methods for the preparation of pharmacologically active compounds as discrete stereoisotopomers could improve the pharmacological and toxicological properties of drugs and provide mechanistic information related to their distribution and metabolism in the body.

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

CHQ- SocioEmo: Identifying Social and Emotional Support Needs in Consumer-Health Questions

General public, often called consumers, are increasingly seeking health information online. To be satisfactory, answers to health-related questions often have to go beyond informational needs. Automated approaches to consumer health question answering should be able to recognize the need for social and emotional support. Recently, large scale datasets have addressed the issue of medical question answering and highlighted the challenges associated with question classification from the standpoint of informational needs. However, there is a lack of annotated datasets for the non-informational needs. We introduce a new dataset for non-informational support needs, called CHQ-SocioEmo. The Dataset of Consumer Health Questions was collected from a community question answering forum and annotated with basic emotions and social support needs. This is the first publicly available resource for understanding non-informational support needs in consumer health-related questions online. We benchmark the corpus against multiple state-of-the-art classification models to demonstrate the dataset’s effectiveness.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

A comprehensive conductivity model for drift and micro-tearing modes

The parallel electrical conductivity is a crucial parameter in the study of the linear stability of drift-modes like the micro-tearing mode (MTM). The conductivity enters by closing the electromagnetic tearing layer equations. Recent progress in the understanding of the pedestal suggests that the MTM could play an important role in its structure and evolution. For this reason, we revisit and improve previous model conductivities. This parameter is generally derived from the linearized drift kinetic equation. In the past literature, it has been computed using either simplified collision operators or neglecting the spatial dependence away from the rational surface. Here, a fully consistent expression for the conductivity that would accurately model the pedestal has not been available. By applying a novel variational procedure and with the full Fokker Plank collision operator, including electron–electron collisions, we compute a closed expression for the parallel electrical conductivity in the form of a rational function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Machine learning-accelerated discovery of iron cobalt phosphides as rare-earth-free magnets

Here, the discovery of rare-earth-free permanent magnets has been a goal of scientists for decades. The absence of rare-earth elements will alleviate a pressing concern about the availability of rare-earth elements used in permanent magnets. These magnets are crucial for applications such as wind turbines, electric cars, and memory devices. Rare-earth magnets are special owing to a large magnetic anisotropy energy (K 1 ). In contrast, iron cobalt phosphides hold promise since doping P into cubic FeCo can induce anisotropy, leading to a large coercivity, without introducing rare-earth elements. We present a comprehensive search over the Fe-Co-P ternary space for magnets, utilizing recently developed adaptive machine learning feedback to efficiently screen over 850 000 structures. We focus on machine learning acceleration as a paradigm for materials design. Further adaptive genetic algorithm searches and first-principles calculations aid in the identification of 16 new structures below the known convex hull. Five of them possess high magnetic polarization (J s > 1 T). The structures with desirable magnetic properties center on (Fe,Co) 2⁢ P. This supports conventional wisdom, which focuses on the mixture of the two known end compounds: Fe 2 ⁢P and Co 2 ⁢P. Our work provides guidance for synthesis. We find Fe 7 ⁢CoP 4 shows the most promise (J s = 1.03T and K 1 = 0.83MJ/m 3 ).

36 MATERIALS SCIENCE↗
DOE OSTI2021

A MLIR Dialect for Quantum Assembly Languages

We demonstrate the utility of the Multi-Level Intermediate Representation (MLIR) for quantum computing. Specifically, we extend MLIR with a new quantum dialect that enables the expression and compilation of common quantum assembly languages. The true utility of this dialect is in its ability to be lowered to the LLVM intermediate representation (IR) in a manner that is adherent to the quantum intermediate representation (QIR) specification recently proposed by Microsoft. We leverage a qcor-enabled implementation of the QIR quantum runtime API to enable a retargetable (quantum hardware agnostic) compiler workflow mapping quantum languages to hybrid quantum-classical binary executables and object code. We evaluate and demonstrate this novel compiler workflow with quantum programs written in OpenQASM 2.0. We provide concrete examples detailing the generation of MLIR from OpenQASM source files, the lowering process from MLIR to LLVM IR, and ultimately the generation of executable binaries targeting available quantum processors.

Mccaskey, Alex↗
DOE OSTI2025

Fundamental Research Aimed at Diverting Excess Reducing Power in Photosynthesis to Orthogonal Metabolic Pathways

Photosystems are incredible biological machines that use sunlight to drive the conversion of carbon dioxide to sugar. The amount of sunlight available for photosynthesis sometimes exceeds the amount of energy plants can use. This excess energy has to be safely dissipated through non-productive biological processes. The ultimate goal of this project is to understand whether we can utilize that otherwise unused excess energy. In our previous work, we showed that, in principle, it is possible to attach a catalyst to photosystem I and generate H2 using light. Our current strategy is to genetically fuse parts of the photosystem I complex with a recently discovered oxygen-tolerant [FeFe] hydrogenase. Our rationale is that such chimeric proteins may potentially result in the natural incorporation of the photosystem I-hydrogenase link using the inherent genetic machinery of the cell. In this project, we aim to verify that light-driven hydrogen production in this construction is possible. Throughout the project, we designed nanoconstructs that showcase the plausibility of this technology, at least in vitro. We take advantage of these constructs to investigate details of the coupling between photosystem I and a H2-producing enzyme called [FeFe] hydrogenase. This part of the project reveals details of the electron transfer between photosystem I and the attached hydrogenase, providing information that can lead to new strategies for improved biological photocatalysis. We also researched efficient and robust tethering of the [FeFe] hydrogenase to photosystem I in cyanobacteria. This work will highlight successful design strategies to guide the future development of photosynthetic biohybrids. Uncovering the principles governing the utilization of otherwise unusable energy significantly further our understanding of cyanobacterial photosynthesis. The work proposed establishes the feasibility of diverting excess energy under high light conditions to orthogonal enzymatic pathways and set design rules for efficient utilization of such a strategy for scientific and industrial applications in biosensing, renewable energy, and high-value chemicals production. The work addresses the DOE-BES Photosynthetic Systems program goal to develop a multidimensional understanding of photosystems that would provide specific metrics that instruct strategies for improving biological photosynthesis and for guiding the future development of bioreactors and biomimetic energy systems.

Photosynthetic systems, hydrogenase, cyanobacteria↗
DOE OSTI2022

A Novel DNA Repair Gene Signature for Immune Checkpoint Inhibitor-Based Therapy in Gastric Cancer

Gastric cancer is a heterogeneous group of diseases with only a fraction of patients responding to immunotherapy. The relationships between tumor DNA damage response, patient immune system and immunotherapy have recently attracted attention. Accumulating evidence suggests that DNA repair landscape is a significant factor in driving response to immune checkpoint blockade (ICB) therapy. In this study, to explore new prognostic and predictive biomarkers for gastric cancer patients who are sensitive and responsive to immunotherapies, we developed a novel 15-DNA repair gene signature (DRGS) and its related scoring system and evaluated the efficiency of the DRGS in discriminating different molecular and immune characteristics and therapeutic outcomes of patients with gastric adenocarcinoma, using publicly available datasets. The results demonstrated that DRGS high score patients showed significantly better therapeutic outcomes for ICB compared to DRGS low score patients (p < 0.001). Integrated analysis of multi-omics data demonstrated that the patients with high DRGS score were characteristic of high levels of anti-tumor lymphocyte infiltration, tumor mutation burden (TMB) and PD-L1 expression, and these patients exhibited a longer overall survival, as compared to the low-score patients. Results obtained from HPA and IHC supported significant dysregulation of the genes in DRGS in gastric cancer tissues, and a positive correlation in protein expression between DRGS and PD-L1. Therefore, the DRGS scoring system may have implications in tailoring immunotherapy in gastric cancers. A preprint has previously been published (Yuan et al., 2021).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

On the Feasibility of Using Reduced-Precision Tensor Core Operations for Graph Analytics

Today’s data-driven analytics and machine learning workload have been largely driven by the General-PurposeGraphics Processing Units (GPGPUs). To accelerate dense matrix multiplications on the GPUs, Tensor Core Units (TCUs) have been introduced in recent years. In this paper, we study linear-algebra-based and vertex-centric algorithms for various graph kernels on the GPUs with an objective of applying this new hardware feature to graph applications. We identify the potential stages in these graph kernels that can be executed on the Tensor Core Units. In particular, we leverage the reformulation of the reduction and scan operations in terms of matrix multiplication [1]on the TCUs. We demonstrate that executing these operations on the TCUs, available inside different graph kernels, can assist in establishing an end-to-end pipeline on the GPGPUs without depending on hand-tuned external libraries and still can deliver comparable performance for various graph analytics.

Graph algorithms, GPU computing↗
DOE OSTI2020

Proposed Potential Mitigation of Wastewater Disposal Through Treated Produced Water in Bakken Formation

The recent global expansion in the development of unconventional oil and gas assets has also resulted in a tremendous increase in the number of extended horizontal drilling and hydraulic fracturing projects in the Bakken. The United States is presently the largest global crude oil producer, and the Bakken Formation in North Dakota is one of the major contributors to this achievement. However, the wastewater produced from these increased oilfield activities are highly saline (∼170,000 to 350,000 ppm TDS) and no technology currently available can satisfactorily treat it. As a result, more than 90% of wastewater in the Bakken is disposed of by deep injection into disposal wells. However, there are growing environmental and operational concerns about the sustainability and impacts of this approach. Research has shown that cumulative wastewater injection in some areas could increase the chances of earthquakes in those areas. However, if this produced water is efficiently treated, it could be reused in hydraulic fracturing operations or to support coal mining and irrigation activities. All these applications would reduce the need for wastewater injection and reduce the demand for fresh water used in hydraulic fracturing operations across North Dakota. For this purpose, we propose an enhanced supercritical technology we call Supercritical Water Extraction – Enhance Targeted Recovery to handle the issue of high TDS of flowback and produced water in the Bakken.

04 OIL SHALES AND TAR SANDS↗
DOE OSTI2022

The Geothermal Data Repository: Ten Years of Supporting the Geothermal Industry with Open Access to Geothermal Data: Preprint

The Department of Energy's (DOE) Geothermal Data Repository (GDR) is celebrating its tenth anniversary! Over the last decade it has grown from the simple idea of storing public data in a centralized location to a valuable tool at the center of the US geothermal scientific community and an integral part of the DOE Geothermal Technologies Office (DOE GTO) project management strategy. Researchers funded by the DOE GTO have contributed over 1,300 data submissions to the GDR. These data have been used to further advancements in geothermal science, economic analysis, exploration, research, development, and operational efficiency. The adoption of open data methodologies and a data management strategy that prioritizes universal open access and standardized, interoperable data have further increased the value of GDR data, making them available across a distributed network of data sharing partners and improving their utility to other industries and related fields, including material science and space exploration. Incorporating feedback from users has been critical to the GDRs success, allowing it to grow over the years to meet the evolving needs of the geothermal community. This paper will explore some of many changes that occurred throughout the GDRs tenure and the lessons learned along the way, as well as highlight some of the new features and recent improvements that been implemented to support innovation, reduce duplication of effort, and advance the geothermal industry as a whole.

accessibility↗