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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

The impact of long-term oceanic warming on the Antarctic Oscillation in austral winter

Increasing greenhouse gas concentration and ozone depletion are generally considered two important factors that affect the variability of the Antarctic Oscillation (AAO). Here, we find that the first leading mode of sea surface temperature (SST) variability (rotated empirical orthogonal functions) shows a long-term upward trend from 1901 to 2004 and is closely related to the AAO index that is obtained using the observationally constrained reanalysis data. Further, regressions of the sea level pressure and the 500-hPa geopotential height anomalies, against the principle component associated with the long-term SST anomalies, display a seesaw behavior between the middle and high latitudes of the Southern Hemisphere in austral winter, which is similar to the high polarity of the AAO. The circulation responses to the long-term oceanic warming in three numerical models are consistent with the observed results. This finding suggests that the long-term oceanic warming is partly responsible for the upward trend of the AAO in austral winter. The thermal wind response to the oceanic warming in South Indian and South Atlantic Ocean may be a possible mechanism for this process.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Localized Opto-Mechanical Control of Protein Adsorption onto Carbon Nanotubes

Chemical reactions can be described by an energy diagram along a reaction coordinate in which an activation barrier limits the rate at which reactants can be transformed into products. This reaction impedance can be overcome by reducing the magnitude of the barrier through the use of catalysis, increasing the thermal energy of the system, or through macroscopic mechanical processes. Here, we demonstrate direct molecular-scale control of a reaction through the precise application of opto-mechanical work. The method uses optical gradient forces generated in the evanescent field surrounding hybrid photonic-plasmonic structures to drive an otherwise unlikely adsorption reaction between proteins and carbon nanotubes. The adsorption of immunoglobulins on carbon nanotubes is used as a model reaction and investigated with an extended DLVO theory. The technique is also used to force a Förster resonance energy transfer between fluorophores on mismatched immunoglobulin proteins and is expected to lead to novel forms of chemical synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Design of intrinsically disordered protein variants with diverse structural properties

Intrinsically disordered proteins (IDPs) perform a broad range of functions in biology, suggesting that the ability to design IDPs could help expand the repertoire of proteins with novel functions. Computational design of IDPs with specific conformational properties has, however, been difficult because of their substantial dynamics and structural complexity. We describe a general algorithm for designing IDPs with specific structural properties. We demonstrate the power of the algorithm by generating variants of naturally occurring IDPs that differ in compaction, long-range contacts, and propensity to phase separate. We experimentally tested and validated our designs and analyzed the sequence features that determine conformations. We show how our results are captured by a machine learning model, enabling us to speed up the algorithm. Our work expands the toolbox for computational protein design and will facilitate the design of proteins whose functions exploit the many properties afforded by protein disorder.

Science & Technology - Other Topics↗
DOE OSTI2014

Overview of LH experiments in JET with an ITER-like wall

An overview of the recent results of Lower Hybrid (LH) experiments at JET with the ITER-like wall (ILW) is presented. Topics relevant to LH wave coupling are addressed as well as issues related to ILW and LH system protections. LH wave coupling was studied in conditions determined by ILW recycling and operational constraints. It was concluded that LH wave coupling was not significantly affected and the pre-ILW performance could be recovered after optimising the launcher position and local gas puffing. SOL density measurements were performed using a Li-beam diagnostic. Dependencies on the D2 injection rate from the dedicated gas valve, the LH power and the LH launcher position were analysed. SOL density modifications due to LH were modelled by the EDGE2D code assuming SOL heating by collisional dissipation of the LH wave and/or possible ExB drifts in the SOL. The simulations matched reasonably well the measured SOL profiles. Observations of arcs and hotspots with visible and IR cameras viewing the LH launcher are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Cooperative Research and Development Agreement among National Energy Technology Laboratory, The Board of Regents of the University System of Georgia by and on behalf of Georgia Institute of Technology, and University of Texas at El Paso [Abstract]

Georgia Institute of Technology (GIT), University of Texas at El Paso (UTEP), and the National Energy Technology Laboratory (NETL) will collaborate and develop cyber-physical systems for advanced power systems. GIT will test virtual models on hybrid power system hardware and cyber physical components. UTEP will test novel actuators on hybrid power system hardware. NETL will access GIT’s expertise in the engineering and real time simulation of power system processes for cyber-physical systems and simulations to control hardware. NETL will establish a relationship to promote UTEP’s capabilities in additive manufacturing and high-temperature piezo-electric devices with the potential for controlling high-temperature flows with a light and inexpensive device at high response rates. This project is the result of an EERE Advanced Manufacturing Office open Multi-Topic awarded proposal led by GIT titled, “Robust Combined Heat and Hybrid Power (CHHP) for High Electrical Efficiency Cogeneration”.

42 ENGINEERING↗
DOE OSTI2023

Increased power gains from wake steering control using preview wind direction information

Abstract. Yaw controllers typically rely on measurements taken at the wind turbine, resulting in a slow reaction to wind direction changes and subsequent power losses due to misalignments. Delayed yaw action is especially problematic in wake steering operation because it can result in power losses when the yaw misalignment angle deviates from the intended one due to a changing wind direction. This study explores the use of preview wind direction information for wake steering control in a two-turbine setup with a wind speed in the partial load range. For these conditions and a simple yaw controller, results from an engineering model identify an optimum preview time of 90 s. These results are validated by forcing wind direction changes in a large-eddy simulation model. For a set of six simulations with large wind direction changes, the average power gain from wake steering increases from only 0.44 % to 1.32 %. For a second set of six simulations with smaller wind direction changes, the average power gain from wake steering increases from 1.24 % to 1.85 %. Low-frequency fluctuations are shown to have a larger impact on the performance of wake steering and the effectiveness of preview control, in particular, than high-frequency fluctuations. From these results, it is concluded that the benefit of preview wind direction control for wake steering is substantial, making it a topic worth pursuing in future work.

17 WIND ENERGY↗
DOE OSTI2020

Simulation and Development of the Radial Time Projection Chamber For the Bonus12 Experiment in CLAS12

Knowledge of the structure of nucleons (i.e. protons and neutrons) is a central topic of interest to nuclear/particle physicists. Much more is known about the structure of the proton than the neutron due to the lack of high-density free neutron targets. The Barely Off-shell Nucleon Structure experiment (BONuS12) at Jefferson Lab (JLab) is a second generation experiment upgraded/optimized to advance our knowledge of the neutron's structure using the deep-inelastic scattering of electrons off deuterium. Typically, since deuterium is a nuclear target, corrections for off-shell and nuclear binding effects must be taken into account in order to extract results on the neutron. These corrections are model-dependent and therefore have limited our success in extracting neutron information using deuterium targets. In the BONuS12 experiment, 10.6 GeV electrons are scattered off of a deuterium target. By detecting the low momentum spectator proton at backward angles, the uncertainty due to final state interactions is minimized. The goal of the experiment is to measure the ratio of the neutron to proton structure functions ($F^n_2/F^p_2$) as the Bjroken scaling variable x approaches 1. The newly designed Radial Time Projection Chamber (RTPC) for BONuS12 detects the spectator proton in coincidence with the scattered electron, which is detected in the CEBAF Large Acceptance Spectrometer (CLAS12). This work presents the simulation and development of the new BONuS12 RTPC. The design, construction, and testing of the Drift-gas Monitoring Sysytem (DMS) for the BONuS12 experiment is also described. The results of the DMS operation as well as the first preliminary data from the BONuS12 experimental run are given. Because the BONuS12 data analysis depends on CLAS12 working effectively, an effort to verify the CLAS12 operation with the extraction of the inclusive deep inelastic cross section from the first experiment in CLAS12 (Run Group A) will be presented.

Dzbenski, Nathan↗
DOE OSTI2024

Full-waveform tomography reveals iron spin crossover in Earth’s lower mantle

Abstract Three-dimensional models of Earth’s seismic structure can be used to identify temperature-dependent phenomena, including mineralogical phase and spin transformations, that are obscured in 1-D spherical averages. Full-waveform tomography maps seismic wave-speeds inside the Earth in three dimensions, at a higher resolution than classical methods. By providing absolute wave speeds (rather than perturbations) and simultaneously constraining bulk and shear wave speeds over the same frequency range, it becomes feasible to distinguish variations in temperature from changes in composition or spin state. We present a quantitative joint interpretation of bulk and shear wave speeds in the lower mantle, using a recently published full-waveform tomography model. At all depths the diversity of wave speeds cannot be explained by an isochemical mantle. Between 1000 and 2500 km depth, hypothetical mantle models containing an electronic spin crossover in ferropericlase provide a significantly better fit to the wave-speed distributions, as well as more realistic temperatures and silica contents, than models without a spin crossover. Below 2500 km, wave speed distributions are explained by an enrichment in silica towards the core-mantle boundary. This silica enrichment may represent the fractionated remains of an ancient basal magma ocean.

58 GEOSCIENCES↗
DOE OSTI2024

Upland Yedoma taliks are an unpredicted source of atmospheric methane

Landscape drying associated with permafrost thaw is expected to enhance microbial methane oxidation in arctic soils. Here we show that ice-rich, Yedoma permafrost deposits, comprising a disproportionately large fraction of pan-arctic soil carbon, present an alternate trajectory. Field and laboratory observations indicate that talik (perennially thawed soils in permafrost) development in unsaturated Yedoma uplands leads to unexpectedly large methane emissions (35–78 mg m -2 d -1 summer, 150–180 mg m -2 d -1 winter). Upland Yedoma talik emissions were nearly three times higher annually than northern-wetland emissions on an areal basis. Approximately 70% emissions occurred in winter, when surface-soil freezing abated methanotrophy, enhancing methane escape from the talik. Remote sensing and numerical modeling indicate the potential for widespread upland talik formation across the pan-arctic Yedoma domain during the 21 st and 22 nd centuries. Contrary to current climate model predictions, these findings imply a positive and much larger permafrost-methane-climate feedback for upland Yedoma.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Machine learning unifies flexibility and efficiency of spinodal structure generation for stochastic biomaterial design

Abstract Porous biomaterials design for bone repair is still largely limited to regular structures (e.g. rod-based lattices), due to their easy parameterization and high controllability. The capability of designing stochastic structure can redefine the boundary of our explorable structure–property space for synthesizing next-generation biomaterials. We hereby propose a convolutional neural network (CNN) approach for efficient generation and design of spinodal structure—an intriguing structure with stochastic yet interconnected, smooth, and constant pore channel conducive to bio-transport. Our CNN-based approach simultaneously possesses the tremendous flexibility of physics-based model in generating various spinodal structures (e.g. periodic, anisotropic, gradient, and arbitrarily large ones) and comparable computational efficiency to mathematical approximation model. We thus successfully design spinodal bone structures with target anisotropic elasticity via high-throughput screening, and directly generate large spinodal orthopedic implants with desired gradient porosity. This work significantly advances stochastic biomaterials development by offering an optimal solution to spinodal structure generation and design.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2012

A first-principles theoretical approach to heterogeneous nanocatalysis

A theoretical approach to heterogeneous catalysis by sub-nanometre supported metal clusters and alloys is presented and discussed. Its goal is to perform a computational sampling of the reaction paths in nanocatalysis via a global search in the phase space of structures and stoichiometry combined with filtering which takes into account the given experimental conditions (catalytically relevant temperature and reactant pressure), and corresponds to an incremental exploration of the disconnectivity diagram of the system. The approach is implemented and applied to the study of propylene partial oxidation by Ag3 supported on MgO(100). First-principles density-functional theory calculations coupled with a Reactive Global Optimization algorithm are performed, finding that: (1) the presence of an oxide support drastically changes the potential energy landscape of the system with respect to the gas phase, favoring configurations which interact positively with the electrostatic field generated by the surface; (2) the reaction energy barriers for the various mechanisms are crucial in the competition between thermodynamically and kinetically favored reaction products; (3) a topological database of structures and saddle points is produced which has general validity and can serve for future studies or for deriving general trends; (4) the MgO(100) surface captures some major features of the effect of an oxide support and appears to be a good model of a simple oxide substrate; (5) strong cooperative effects are found in the co-adsorption of O2 and other ligands on small metal clusters. The proposed approach appears as a viable route to advance the role of predictive computational science in the field of heterogeneous nanocatalysis.

Chemistry↗
DOE OSTI2023

Evolution of dislocation substructures in metals via high-strain-rate nanoindentation

Deformation at high strain rates often results in high stresses on many engineering materials, potentially leading to catastrophic failure without proper design. High-strain-rate mechanical testing is thus needed to improve the design of future structural materials for a wide range of applications. Although several high-strain-rate mechanical testing techniques have been developed to provide a fundamental understanding of material responses and microstructural evolution under high-strain-rate deformation conditions, these tests are often very time consuming and costly. In this work, we utilize a high-strain-rate nanoindentation testing technique and system in combination with transmission electron microscopy to reveal the deformation mechanisms and dislocation substructures that evolve in pure metals from low (10 –2 s –1 ) to very high indentation strain rates (10 4 s –1 ), using face-centered cubic aluminum and body-centered cubic molybdenum as model materials. The results help to establish the conditions under which micro- and macro-scale tests can be compared with validity and also provide a promising pathway that could lead to accelerated high-strain-rate testing at substantially reduced costs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Monopole–antimonopole: interaction, scattering and creation

The interaction of a magnetic monopole–antimonopole pair depends on their separation as well as on a second ‘twist’ degree of freedom. This novel interaction leads to a non-trivial bound state solution known as a sphaleron and to scattering in which the monopole–antimonopoles bounce off each other and do not annihilate. The twist degree of freedom also plays a role in numerical experiments in which gauge waves collide and create monopole–antimonopole pairs. Similar gauge wavepacket scatterings in the Abelian–Higgs model lead to the production of string loops that may be relevant to superconductors. Ongoing numerical experiments to study the production of electroweak sphalerons that result in changes in the Chern–Simons number, and hence baryon number, are also described but have not yet met with success. This article is part of a discussion meeting issue ‘Topological avatars of new physics’.

Science & Technology - Other Topics↗
DOE OSTI2022

Gaussian processes meet NeuralODEs: a Bayesian framework for learning the dynamics of partially observed systems from scarce and noisy data

We present a machine learning framework (GP-NODE) for Bayesian model discovery from partial, noisy and irregular observations of nonlinear dynamical systems. The proposed method takes advantage of differentiable programming to propagate gradient information through ordinary differential equation solvers and perform Bayesian inference with respect to unknown model parameters using Hamiltonian Monte Carlo sampling and Gaussian Process priors over the observed system states. This allows us to exploit temporal correlations in the observed data, and efficiently infer posterior distributions over plausible models with quantified uncertainty. The use of the Finnish Horseshoe as a sparsity-promoting prior for free model parameters also enables the discovery of parsimonious representations for the latent dynamics. A series of numerical studies is presented to demonstrate the effectiveness of the proposed GP-NODE method including predator–prey systems, systems biology and a 50-dimensional human motion dynamical system. This article is part of the theme issue ‘Data-driven prediction in dynamical systems’.

Science & Technology - Other Topics↗
DOE OSTI2018

The origin and stability of nanostructural hierarchy in crystalline solids

The structural hierarchy exhibited by materials on more than one length scale can play a major part in determining bulk material properties. Understanding the hierarchical structure can lead to new materials with physical properties tailored for specific applications. We have used a combined experimental and phase-field modeling approach to explore such a hierarchical structure at nanoscale for enhanced coarsening resistance of ordered γ' precipitates in an experimental, multicomponent, high-refractory nickel-base superalloy. The hierarchical microstructure formed experimentally in this alloy is composed of a γ matrix with γ' precipitates that contain embedded, spherical γ precipitates, which do not directionally coarsen during high-temperature annealing but do delay coarsening of the larger γ' precipitates. Chemical mapping via atom probe tomography suggests that the supersaturation of Co, Ru, and Re in the γ' phase is the driving force for the phase separation, leading to the formation of this hierarchical microstructure. Representative phase-field modeling highlights the importance of larger γ' precipitates to promote stability of the embedded γ phase and to delay coarsening of the encompassing γ' precipitates. Our results suggest that the hierarchical material design has the potential to influence the high-temperature stability of precipitate strengthened metallic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Results of the Collaborative International Evaluated Library Organization (CIELO) Project

Simulation of nuclear systems requires complete data that represents the relevant nuclear physics. This requires many types of experimental measurements, theoretical physics, semi-empirical models and software systems, as well as experts to integrate and guide the process. This discipline is collectively known as nuclear data, and separate programmes within various European countries, the USA, Japan, Russia, and other OECD Nuclear Energy Agency (NEA) member countries have been operating for many decades. The NEA Working Party on International Nuclear Data Evaluation Co-operation (WPEC) exists to improve the quality and completeness of nuclear data by bringing together representatives of the major nuclear data evaluation projects of NEA member countries and selected Invitees. The Sub- and Expert Groups of the WPEC typically focus on specific technical topics, while the Collaborative International Evaluated Library Organisation Pilot Project (CIELO) was established to generate complete evaluations for a selection of the most important isotopes for criticality in nuclear technologies: 235,238 U, 239 Pu, 56 Fe, 16 O and 1 H.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

The Potential Impact of Offshore Wind Energy on a Future Power System in the U.S. Northeast

This study aims to understand and quantify the potential impact of offshore wind on a future electricity system in the U.S. Northeast. In this analysis, a detailed representation of the Northeast power system is adopted, using a generation portfolio for 2024 paired with offshore wind nameplate capacities of 0 gigawatts (GW), 2 GW, and 7 GW. The analysis identifies points of offshore wind interconnection in the ISO-New England and New York Independent System Operator control areas and uses hourly wind profiles from the Wind Integration National Dataset Toolkit. Hourly simulations of the 2024 power system operations show an ability to accommodate the prescribed offshore wind capacities by adapting the system's generation dispatch. Curtailment levels of offshore wind range between 4% and 5%. Offshore wind generation displaces primarily natural-gas combined-cycle generation; however, requires increased flexibility from combined cycles through more frequent start-ups. The number of hours with transmission congestion increases because of offshore wind injection, with varying impact on a subregional level. Offshore wind's capacity credit was found to be 14.5%-28.3% and is lower than estimated in other large-scale power system studies, in part because this study considered a different weather year and a power system representation with higher shares of solar PV and onshore wind. The reliability contribution of resources is a topic area identified for more research and collaboration. The 7-GW scenario shows a reduction in locational marginal price of 11%, with production cost savings of up to 18% compared to the 0-GW scenario.

17 WIND ENERGY↗
DOE OSTI2025

Efficient and Selective Chemical Transformations in Highly Charged and Confined Nanodroplets

The acceleration of chemical reaction rates and the increased product selectivity in microdroplets compared to that in bulk solutions has become a topic of increasing interest that has been extensively characterized by electrospray ionization mass spectrometry (ESI-MS). However, the sources of this acceleration and the detailed relationships between droplet properties and resulting reaction rate acceleration are still under debate. Moreover, droplet properties are governed by multiple interrelated experimental parameters, i.e., electrospray voltage, solution flow rate, etc., which makes it difficult and time-consuming to explore this diverse parameter space using traditional manual experimental or computational approaches. In this work, we developed an automated experimental platform integrating reactions in controlled charged microdroplet environments with ESI-MS characterization and sequential hybrid Bayesian modeling, as well as an optimal experimental design framework, to achieve multidimensional parameter optimization for higher reaction turnover rates, based on a model reaction of tetraethylenepentamine (TEPA) with carbon dioxide. With the current platform, we have achieved automated scans with a range of electrospray voltages and solution flow rates, and determined and optimized parameter settings to achieve increased reaction turnovers. We have also linked this platform to the underlying properties of droplets via a hybrid model incorporating physics, high-level theoretical calculations, and machine learning (ML) approaches. The autonomous platform is broadly applicable to a range of chemical reactions relevant to DOE’s mission in chemical separations, catalysis, and materials synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗