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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 1,135 records · Page 63
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Intermediate-phase engineering via dimethylammonium cation additive for stable perovskite solar cells

Achieving the long-term stability of perovskite solar cells is arguably the most important challenge required to enable widespread commercialization. Understanding the perovskite crystallization process and its direct impact on device stability is critical to achieving this goal. The commonly employed dimethyl-formamide/dimethyl-sulfoxide solvent preparation method results in a poor crystal quality and microstructure of the polycrystalline perovskite films. In this work, we introduce a high-temperature dimethyl-sulfoxide-free processing method that utilizes dimethylammonium chloride as an additive to control the perovskite intermediate precursor phases. By controlling the crystallization sequence, we tune the grain size, texturing, orientation (corner-up versus face-up) and crystallinity of the formamidinium (FA)/caesium (FA) y Cs 1-y Pb(I x Br 1-x )3 perovskite system. A population of encapsulated devices showed improved operational stability, with a median T80 lifetime (the time over which the device power conversion efficiency decreases to 80% of its initial value) for the steady-state power conversion efficiency of 1,190 hours, and a champion device showed a T80 of 1,410 hours, under simulated sunlight at 65 degrees C in air, under open-circuit conditions. In conclusion, this work highlights the importance of material quality in achieving the long-term operational stability of perovskite optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2025

RingX: Scalable Parallel Attention for Long-Context Learning on HPC

The attention mechanism has become foundational for remarkable AI breakthroughs since the introduction of the Transformer, driving the demand for increasingly longer context to power frontier models such as large-scale reasoning language models and high-resolution image/video generators. However, its quadratic computational and memory complexities present substantial challenges. Current state-of-the-art parallel attention methods, such as ring attention, are widely adopted for long-context training but utilize a point-to-point communication strategy that fails to fully exploit the capabilities of modern HPC network architectures. In this work, we propose ringX, a scalable family of parallel attention methods optimized explicitly for HPC systems. By enhancing workload partitioning, refining communication patterns, and improving load balancing, ringX achieves up to 3.4 × speedup compared to conventional ring attention on the Frontier supercomputer. Optimized for both bi-directional and causal attention mechanisms, ringX demonstrates its effectiveness through training benchmarks of a Vision Transformer (ViT) on a climate dataset and a Generative Pre-Trained Transformer (GPT) model, Llama3 8B. Our method attains an end-to-end training speedup of approximately 1.5 × in both scenarios. To our knowledge, the achieved 38% model FLOPs utilization (MFU) for training Llama3 8B with a 1M-token sequence length on 4,096 GPUs represents one of the highest training efficiencies reported for long-context learning on HPC systems. Our code implementation is available at https://github.com/jqyin/ringX-attention.

Yin, Junqi [ORNL] (ORCID:0000000338435520)↗
NASA NTRS1981

A software system for emission spectrometry

A computer system was developed for an emission spectrometry facility consisting of a direct current (DC) argon arc spectrograph optically coupled to an inductively coupled plasma multichannel spectrometer. Custom hardware and software were designed to control analytical functions and perform data acquisition. The software system was designed to make operation of the facility simple for routine operation and flexible for research and development. Special software was written to collect data under controlled conditions to characterize and monitor system response. One sequence collects intensity versus time data on all channels and displays the data graphically. These profiles are useful in studying the effects of operating parameters on measurement precision. Another special sequence performs calibration using a spline curve fit procedure. Routines were also written to measure dark currents and signals from a standard tungsten halogen lamp mounted in place of the DC arc. For quality control purposes, histories of these values are kept and monitored for excess scatter or drift.

Auping, J. V.↗
NASA NTRS1985

A 3-dimensional Navier-Stokes-Euler code for blunt-body flow computations

The shock-layer flowfield is obtained with or without viscous and heat-conducting dissipations from the conservative laws of fluid dynamics equations using a shock-fitting implicity finite-difference technique. The governing equations are cast in curvilinear-orthogonal coordinates and transformed to the domain between the shock and the body. Another set of equations is used for the singular coordinate axis, which, together with a cone generator away from the stagnation point, encloses the computation domain. A time-dependent alternating direction implicit factorization technique is applied to integrate the equations with local-time increment until a steady solution is reached. The shock location is updated after the flowfield computation, but the wall conditions are implemented into the implicit procedure. Innovative procedures are introduced to define the initial flowfield, to treat both perfect and equilibrium gases, to advance the solution on a coarse-to-fine grid sequence, and to start viscous flow computations from their corresponding inviscid solutions. The results are obtained from a grid no greater than 28 by 18 by 7 and converged within 300 integration steps. They are of sufficient accuracy to start parabolized Navier-Stokes or Euler calculations beyond the nose region, to compare with flight and wind-tunnel data, and to evaluate conceptual designs of reentry spacecraft.

Li, C. P.↗
NASA NTRS1987

Protostellar disks and the primitive solar nebula

The objective is to obtain quantitative information on the turbulent transport of mass, angular momentum, and energy under the conditions that characterize the solar nebula, by direct numerical calculations. These calculations were made possible by research conducted on supercomputers (Cray XMP and Cray 2) by the Ames Computational Fluid Dynamics Branch. Techniques were developed that permitted the accurate representation of turbulent flows over the full range of important eddy sizes. So far, these techniques were applied (and verified) primarily in mundane laboratory situations, but they have a strong potential for astrophysical applications. A sequence of numerical experiments were conducted to evaluate the Reynold's stress tensor, turbulent heat transfer rate, turbulent dissipation rate, and turbulent kinetic energy spectrum, as functions of position, for conditions relevant to the solar nebula. Emphasis is placed on the variation of these properties with appropriate nondimensional quantities, so that relations can be derived that will be useful for disk modeling under a variety of hypotheses and initial conditions.

Cassen, P. M.↗
NASA NTRS1992

Relative timing of substorm features in MHD simulations

An investigation of the temporal sequence of substorm phenomena based on three dimensional MHD (magnetohydrodynamic) simulations of magnetic reconnection and plasmoid formation is presented. The investigation utilizes a spatially localized resistivity model which leads to a significantly faster evolution than found in previous investigations. The analysis of the results concentrates on substorm features that have received considerable attention in the past. The formation of magnetic neutral lines, the occurrence of fast flows directed both earthward and tailward, and the magnetic field changes leading to the formation of the substorm current wedge, and to the depolarization of the magnetic field earthward of the reconnection region and its dependence on the spatial distribution of resistivity, are discussed. These phenomena are seen as an integral part of the nonlinear evolution of the three dimensional tearing instability.

Hesse, Michael↗
NASA NTRS2010

THEMIS Observations of Directly-Driven Pi2 Pulsations

The THEMIS tail seasons have provided an unprecedented opportunity to examine the causal relationship between midtail plasma flows and low latitude Pi2 pulsations. We present several events where multiple THEMIS spacecraft observed magnetotail flow bursts which were followed up to several minutes later by ground Pi2 pulsations. We find good agreement with the waveforms of the flow bursts and flank Pi2, in agreement with the hypothesis that Pi2 at low-latitude on the flank are directly-driven by periodic variations in the flow bursts. For at least I event we are able to follow the Pi2 impulses from the periodic flow bursts on the nightside. to ground Pi2 at the flanks, and finally through the dayside magnetosphere as observed by GOES. We further place the physical mechanism generating these Pi2 into the context of sub storm onset. We conclude by discussing the sequence and coupling of events that are necessary to explain the correlation, and the constraints this places on models of transient magnetospheric transport.

Kepko, L.↗
NASA NTRS2011

Tissue Photolithography

Tissue lithography will enable physicians and researchers to obtain macromolecules with high purity (greater than 90 percent) from desired cells in conventionally processed, clinical tissues by simply annotating the desired cells on a computer screen. After identifying the desired cells, a suitable lithography mask will be generated to protect the contents of the desired cells while allowing destruction of all undesired cells by irradiation with ultraviolet light. The DNA from the protected cells can be used in a number of downstream applications including DNA sequencing. The purity (i.e., macromolecules isolated form specific cell types) of such specimens will greatly enhance the value and information of downstream applications. In this method, the specific cells are isolated on a microscope slide using photolithography, which will be faster, more specific, and less expensive than current methods. It relies on the fact that many biological molecules such as DNA are photosensitive and can be destroyed by ultraviolet irradiation. Therefore, it is possible to protect the contents of desired cells, yet destroy undesired cells. This approach leverages the technologies of the microelectronics industry, which can make features smaller than 1 micrometer with photolithography. A variety of ways has been created to achieve identification of the desired cell, and also to designate the other cells for destruction. This can be accomplished through chrome masks, direct laser writing, and also active masking using dynamic arrays. Image recognition is envisioned as one method for identifying cell nuclei and cell membranes. The pathologist can identify the cells of interest using a microscopic computerized image of the slide, and appropriate custom software. In one of the approaches described in this work, the software converts the selection into a digital mask that can be fed into a direct laser writer, e.g. the Heidelberg DWL66. Such a machine uses a metalized glass plate (with chrome metallization) on which there is a thin layer of photoresist. The laser transfers the digital mask onto the photoresist by direct writing, with typical best resolution of 2 micrometers. The plate is then developed to remove the exposed photoresist, which leaves the exposed areas susceptible to chemical chrome etch. The etch removes the unprotected chrome. The rest of the photoresist is then removed, by either ultraviolet organic solvent or over-development. The remaining chrome pattern is quickly oxidized by atmospheric exposure (typically within 30 seconds). The ready chrome mask is now applied to the tissue slide and aligned manually, or using automatic software and pre-designed alignment marks. The slide plate sandwich is then exposed to UV to destroy the DNA of the unwanted cells. The slide and plate are separated and the slide is processed in a standard way to prepare for polymerase chain reaction (PCR) and potential identification of cancer sequences.

Wade, Lawrence A.↗
NASA NTRS2022

Final Report - Hypergravity Effects on Chromatin Conformation and Nuclear Structure in Cultured Cells using High-throughput Sequencing

The conformation of the human genome is known to play an important role in transcriptional control of gene expression. Our aim is to assess whether exposure of cultured human cardiomyocytes to hypergravity can induce changes in chromatin organization as assayed by Hi-C proximity ligation technique. Hi-C is used to analyze chromatin interactions by using formaldehyde to crosslink regions of chromatin that are in close proximity. The DNA is then fragmented using a restriction enzyme and ligated under dilute conditions to favor intramolecular ligation of cross-linked fragments. Finally, the DNA is sequenced, allowing reconstruction of genomic structure. iCell cardiomyocyte cultures will be exposed to 40 g via an engineered device (incu-fuge) that allows for the chemical fixation of cells on a spinning centrifuge. Additionally, we plan on using fluorescence microscopy to analyze the nuclear and actin cytoskeletal conformation of cardiomyocytes post hypergravity exposure. We hypothesize that chromatin will rearrange in hypergravity conditions, both rapidly due to direct mechanical forces, as well as over longer time frames due to changes to structures necessary for transcriptional responses such as the de novo formation of promoter-enhancer loops. A negative result–no change between 1 g and hypergravity conditions–would nevertheless be an important data point in our understanding of the rheology of the nucleus, and how cells and cellular structures respond to different gravity fields. The cellular physiology of hypergravity has clinical relevance for spaceflight, and can further inform our understanding of microgravity physiology.

chromatin↗
DOE OSTI2025

Direct observation of oxygen vacancy ordering evolution in cerium oxide at varying concentrations via high-resolution transmission electron microscopy

Under illumination by a 300 keV electron beam, oxygen vacancy ordering structures are induced within cerium oxide grains. Here, our high-resolution transmission electron microscopy (HRTEM) study, supported by image simulation, reveals the evolution of these structures as vacancy concentration increases. The observed fluorite-type superlattice structures are identified as CeO 1.825 , CeO 1.75 , Ce 2 O 3 , displaying a gradient in oxygen vacancy concentration moving away from the grain surface. Correspondingly, the structural sequence transitions from Ce 2 O 3 to CeO 1.75 and then to CeO 1.825 . Without the constraints of surrounding grains, fluorite-type Ce 2 O 3 nanocrystals show a preference for transformation into an A-type trigonal structure. Notably, at temperatures up to 200°C, only the perfect fluorite structure is observed. Structural models were validated through both [110] and [001] projections. Our findings further confirm lattice expansion associated with local oxygen vacancy enrichment, which can be compensated by the formation of stacking faults, where a {111} oxygen plane is lost at defect sites.

Cerium oxide↗
NASA NTRS1979

Self-condensation of activated dinucleotides on polynucleotide templates with alternating sequences

Substantial quantities of the alternating polymers poly(U-G) and poly(C-A) have been prepared and used as templates for the self-condensation of ImpApC, ImpCpA, ImpGpU and ImpUpG. It is found that the condensation of ImpGpu and ImpUpG on poly(C-A) is efficient, the condensation of ImpCpA on poly(U-G) is moderately efficient, while the condensation of ImpApC on poly(U-C) proceeds poorly. In many cases, the product is predominantly 3'-5'-linked. These reactions demonstrate unequivocally, for the first time, that template-directed reactions occur in double-helical structures. Furthermore, they describe for the first time a pair of reactions in which each of two complementary polymers facilitates the synthesis of the other. The prebiotic significance of these findings is discussed.

Lohrmann, R.↗
DOE OSTI2022

An expanded role for the transcription factor WRINKLED1 in the biosynthesis of triacylglycerols during seed development

The transcription factor WRINKLED1 ( WRI1 ) is known as a master regulator of fatty acid synthesis in developing oilseeds of Arabidopsis thaliana and other species. WRI1 is known to directly stimulate the expression of many fatty acid biosynthetic enzymes and a few targets in the lower part of the glycolytic pathway. However, it remains unclear to what extent and how the conversion of sugars into fatty acid biosynthetic precursors is controlled by WRI 1. To shortlist possible gene targets for future in-planta experimental validation, here we present a strategy that combines phylogenetic foot printing of cis-regulatory elements with additional layers of evidence. Upstream regions of protein-encoding genes in A. thaliana were searched for the previously described DNA-binding consensus for WRI1, the ASML1/WRI1 (AW)-box. For about 900 genes, AW-box sites were found to be conserved across orthologous upstream regions in 11 related species of the crucifer family. For 145 select potential target genes identified this way, affinity of upstream AW-box sequences to WRI1 was assayed by Microscale Thermophoresis. This allowed definition of a refined WRI1 DNA-binding consensus. We find that known WRI1 gene targets are predictable with good confidence when upstream AW-sites are phylogenetically conserved, specifically binding WRI1 in the in vitro assay, positioned in proximity to the transcriptional start site, and if the gene is co-expressed with WRI1 during seed development. When targets predicted in this way are mapped to central metabolism, a conserved regulatory blueprint emerges that infers concerted control of contiguous pathway sections in glycolysis and fatty acid biosynthesis by WRI1. Several of the newly predicted targets are in the upper glycolysis pathway and the pentose phosphate pathway. Of these, plastidic isoforms of fructokinase ( FRK 3) and of phosphoglucose isomerase ( PGI 1) are particularly corroborated by previously reported seed phenotypes of respective null mutations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

DeepShake: Shaking Intensity Prediction Using Deep Spatiotemporal RNNs for Earthquake Early Warning

Abstract We propose a deep spatiotemporal recurrent neural network, DeepShake, to project future shaking intensity directly from current ground-motion observations. DeepShake is a network-based forecasting model, able to predict future shaking intensity at all stations within a network given previously measured ground shaking. The model is not given any a priori knowledge of station locations; instead, it learns wave propagation amplitudes and delays solely from training data. We developed DeepShake with the 35,679 earthquakes from the 2019 Ridgecrest sequence. Tasked with alerting for modified Mercalli intensity (MMI) IV+ shaking on 3568 validation earthquakes at least 5 s in advance, DeepShake achieves an equal error rate of 11.4%. For the Mw 7.1 earthquake that hit Ridgecrest on 5 July 2019, DeepShake was able to provide targeted alerts to all stations inside the network 5 s prior to the arrival of MMI IV+ waveforms. DeepShake demonstrates that deep spatiotemporal neural networks can effectively provide one-step earthquake early warning with reasonable accuracy and latency.

Geochemistry & Geophysics↗
DOE OSTI2021

The Ephb2 Receptor Uses Homotypic, Head-to-Tail Interactions within Its Ectodomain as an Autoinhibitory Control Mechanism

The Eph receptor tyrosine kinases and their ephrin ligands direct axon pathfinding and neuronal cell migration, as well as mediate many other cell–cell communication events. Their dysfunctional signaling has been shown to lead to various diseases, including cancer. The Ephs and ephrins both localize to the plasma membrane and, upon cell–cell contact, form extensive signaling assemblies at the contact sites. The Ephs and the ephrins are divided into A and B subclasses based on their sequence conservation and affinities for each other. The molecular details of Eph–ephrin recognition have been previously revealed and it has been documented that ephrin binding induces higher-order Eph assemblies, which are essential for full biological activity, via multiple, distinct Eph–Eph interfaces. One Eph–Eph interface type is characterized by a homotypic, head-to-tail interaction between the ligand-binding and the fibronectin domains of two adjacent Eph molecules. While the previous Eph ectodomain structural studies were focused on A class receptors, we now report the crystal structure of the full ectodomain of EphB2, revealing distinct and unique head-to-tail receptor–receptor interactions. The EphB2 structure and structure-based mutagenesis document that EphB2 uses the head-to-tail interactions as a novel autoinhibitory control mechanism for regulating downstream signaling and that these interactions can be modulated by posttranslational modifications.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2011

A Phobos-Deimos Mission as an Element of the NASA Mars Design Reference Architecture 5.0

NASA has conducted a series of mission studies over the past 25 years examining the eventual exploration of the surface of Mars by humans. The latest version of this evolutionary series of design reference missions/architectures - Design Reference Architecture 5 or DRA-5 - was completed in 2007. This paper examines the implications of including a human mission to explore the moons of Mars and teleoperate robots in various locations, but not to land the human crews on Mars, as an element of this reference architecture. Such a mission has been proposed several times during this same 25 year evolution leading up to the completion of DRA-5 primarily as a mission of testing the in-space vehicles and operations while surface vehicles and landers are under development. But such a precursor or test mission has never been explicitly included as an element of this Architecture. This paper will first summarize the key features of the DRA-5 to provide context for the remainder of the assessment. This will include a description of the in-space vehicles that would be the subject of a shakedown test during the Mars orbital mission. A decision tree will be used to illustrate the factors that will be analyzed, and the sequence in which they will be addressed, for this assessment. The factors that will be analyzed include the type of interplanetary transfer orbit (opposition class versus conjunction class), the type of parking orbit (circular versus elliptical), and the type of propulsion technology (high thrust chemical versus nuclear thermal rocket). The manner in which each of these factors impacts an individual mission will be described. In addition to the direct impact of these factors, additional considerations impacting crew health and overall programmatic outcomes will be discussed. Numerical results for each of the factors in the decision tree will be grouped with derived qualitative impacts from crew health and programmatic consideration. These quantitative and qualitative results will be summarized in a pros/cons table as a summary for this analysis.

Hoffman, Stephen J.↗
NASA NTRS2012

Development, Verification and Use of Gust Modeling in the NASA Computational Fluid Dynamics Code FUN3D

This paper presents the implementation of gust modeling capability in the CFD code FUN3D. The gust capability is verified by computing the response of an airfoil to a sharp edged gust. This result is compared with the theoretical result. The present simulations will be compared with other CFD gust simulations. This paper also serves as a users manual for FUN3D gust analyses using a variety of gust profiles. Finally, the development of an Auto-Regressive Moving-Average (ARMA) reduced order gust model using a gust with a Gaussian profile in the FUN3D code is presented. ARMA simulated results of a sequence of one-minus-cosine gusts is shown to compare well with the same gust profile computed with FUN3D. Proper Orthogonal Decomposition (POD) is combined with the ARMA modeling technique to predict the time varying pressure coefficient increment distribution due to a novel gust profile. The aeroelastic response of a pitch/plunge airfoil to a gust environment is computed with a reduced order model, and compared with a direct simulation of the system in the FUN3D code. The two results are found to agree very well.

Bartels, Robert E.↗
DOE OSTI2021

GRIP: Constraint-based Explanation of Missing Answers for Graph Queries

Abstract: A useful feature in graph query engines is to clarify “Why certain entities (nodes, attribute values or edges) are missing” in query answers. This task is even more challenging when the relevant data is already missing in the underlying data source. Missing data, on the other hand, can be inferred by enforcing data constraints for graphs. We demonstrate GRIP, a system that exploits data constraints to clarify missing answers for graph queries. (1) Constraint-based ex- planation. Given a desired yet missing entity in the query answer, GRIP ensures to generate finite and minimal sequences of data con- strains (an “explanation”) that should be consecutively enforced to ?? to ensure its occurrence for the same query. (2) Answering “why” and“how” questions. Users can query GRIP with both“Why”(“Why” the element is missing) and “How” questions (“How” to refine the graph to include the missing answer). GRIP engine supports run- time generation of explanations by incrementally maintaining a set of bi-directional search trees. (3) Interactive exploration. GRIP provides a user-friendly GUI to support interactive ad visual exploration of explanations, including both automated generation and step-by-step inspection of graph manipulations.

graphs↗
DOE OSTI2021

Optical Biosensor Platforms Display Varying Sensitivity for the Direct Detection of Influenza RNA

Detection methods that do not require nucleic acid amplification are advantageous for viral diagnostics due to their rapid results. These platforms could provide information for both accurate diagnoses and pandemic surveillance. Influenza virus is prone to pandemic-inducing genetic mutations, so there is a need to apply these detection platforms to influenza diagnostics. Here, we analyzed the Fast Evaluation of Viral Emerging Risks (FEVER) pipeline on ultrasensitive detection platforms, including a waveguide-based optical biosensor and a flow cytometry bead-based assay. The pipeline was also evaluated in silico for sequence coverage in comparison to the U.S. Centers for Disease Control and Prevention’s (CDC) influenza A and B diagnostic assays. The influenza FEVER probe design had a higher tolerance for mismatched bases than the CDC’s probes, and the FEVER probes altogether had a higher detection rate for influenza isolate sequences from GenBank. When formatted for use as molecular beacons, the FEVER probes detected influenza RNA as low as 50 nM on the waveguide-based optical biosensor and 1 nM on the flow cytometer. In addition to molecular beacons, which have an inherently high background signal we also developed an exonuclease selection method that could detect 500 pM of RNA. The combination of high-coverage probes developed using the FEVER pipeline coupled with ultrasensitive optical biosensors is a promising approach for future influenza diagnostic and biosurveillance applications.

59 BASIC BIOLOGICAL SCIENCES↗