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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

High-Energy X-Ray Diffraction Analysis Tool

The functionality of heRXD includes the following: distance and angular calibration and viewing flat-panel detector images used for X-ray diffraction; image (polar) rebinning or "caking"; line position fitting in powder diffraction images; image segmentation or "blob finding"; crystal orentation indesing; and lattice vector refinement. These functionalities encompass a critical set analyzing teh data for high-energy diffraction measurements that are currently performed at synchrotron sources such as the Advanced Photon Source (APS). The software design modular and open source under LGPL. The intent is to provide a common framework and graphical user interface that has the ability to utillize internal as well as external subroutines to provide various optins for performing the fuctionalities listed above. The software will initially be deployed at several national user facilities--including APS, ALS, and CHESS--and then made available for download using a hosting service such as sourceforge.

Source record↗
DOE OSTI2017

URBAN-NET-TOOLKIT

Strengthening and maintaining secure, functioning, and resilient Critical Infrastructure Systems (CISs) is one of our nation's primary goals, and it requires proactive and coo0rdinated efforts among federal, state, local, public and private owners and operators of CISs. Recent worldwide extreme events have shown how interdependencies across CISs (electric grid, telecommunications, transportation, water networks, etc.) can drastically increase system vulnerability. To understand these complex interdependencies, ORNL has instantiated Urban-NET, a novel decision support system for CIS operators who need to identify vulnerabilities for minimizing the cascading impacts - saving utilities, the federal and state government, and private sector companies potentially billions by avoiding a complete CI failure and/or shutdown. The developed system includes a stack of software tools for preprocessing, modeling, interconnecting multiple CIS datasets as an integrated heterogeneous graph (i.e. network), identifying vulnerabilities through topological analysis, and predicting consequences based on simulations along with visualization.

Chinthavali, Supriya↗
DOE OSTI2018

Fabrication Status of ITER Central Solenoid Modules

The fabrication of the modules for the ITER Central Solenoid (CS) is in progress at General Atomics (GA) in Poway, California, USA. This purpose built facility has been established with the requisite tools and machines to fabricate the seven 110 tonne CS modules (six required plus one spare). GA’s project responsibility is completing the fabrication design, developing and qualifying the fabrication processes and tools, fabricating the seven modules, and testing the modules at 4.5 K with full current. The current schedule has the first module’s completing fabrication in 2018 followed by electrical and full current testing. Upon completion of testing, the modules will be shipped to the ITER site for assembly into the CS stack. GA has co mpleted the fabrication of a qualification coil, simulating all of the processes and exercising all of the tooling required to fabricate a production module. After completion, the qualification coil underwent a cool down cycle to 4.5K which served as the final commissioning step of the helium cooling system on the parallel flow paths of a module. In addition, other final test station systems and procedures were simulated to verify their functionality including simulated critical current sharing temperature (Tcs) measurements, DC switch operation to dump the energy from the coil, and a helium leak test on the coil at <10K. After warming the coil, Paschen tests were repeated prior to the coil being dissected to evaluate the quality of the vacuum pressure impregnation (VPI). Dissection is scheduled for early spring 2018 and the results showed full resin impregnation of all areas. In the production and testing of the qualification coil, many lessons were learned and the improvements incorporated into the module fabrication processes. GA currently has five production modules in fabrication, at different stages in the process. The first module is nearly ready for vacuum pressure impregnation. The second and third modules are currently in the insulation process and the 7 pancakes of the forth module are being joined together into a 110 tonne module. Module 5 is currently being wound. The qualification coil has been completed and dissected to evaluate the VPI. A description of the VPI process is provided. To verify the turn insulation of a module, unique impulse testing methods were developed to test the insulation between the 560 turns of a module. These methods are reported in this paper.

Smith, J.↗
DOE OSTI2019

APT Data Analysis towards Fission Products in TRISO Fuels

Tristructural isotropic (TRISO) particle is a promising candidate as fuel for high temperature gas reactors (HTGR) and other new generation fuel concepts like accident tolerant fuel for light water reactors. The TRISO coating is part of the HTGR functional containment and critical for the safety strategy for licensing purposes. The microstructure of TRISO particles typically consists of SiC and inner pyrolytic carbon (IPyC) layers, and has been an interesting topic, in particular, the behavior of fission products (FPs), such as Ag, Pd, etc. for many years. Historically, due to equipment and technique resolution limitations on radiological fuel materials, the distribution and behavior of FPs were not fully understood and resolved. Knowledge leapfrogged recently asAg-rich phase and Pd-rich precipitates were found along grain boundaries and inside SiC grains, respectively, by using scanning transmission electron microscopy (STEM) combined with energy dispersive x-ray spectrometry (EDS) and electron energy loss spectrometry (EELS) techniques [1]. However, as the Ag-rich phase and Pd-rich precipitate are much smaller than the STEM sample’s thickness, accurate quantitative analysis is difficult with TEM techniques. Furthermore, it is also extremely difficult to reveal the presence of other FPs in trace quantities. Atom probe tomography (APT) technique has been widely accepted and applied in the field of nuclear science, in particular for irradiated materials (e.g. ODS alloys), to reveal the distribution and composition of nano-sized features. However, there are very limited applications of APT towards studying FPs in fuels. Our preliminary results on neutron irradiated TRISO coated particles reveal a grain boundary containing multiple FPs [2]. This presentation will demonstrate though our study on the TRISO fuel sample how we identified the FPs in the SiC layer of the TRISO coated Particle, and challenged as FPs contains many unstable isotopes that are not shown in the CAMECA Periodic Table of the Isotopes for Atom Probe Tomography.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Fabrication of New NFA-SiC Composites for Nuclear Applications

Cladding materials play the critical and fundamental function of fuel confinement during the safe operation of a nuclear power system. With the development of a new generation of nuclear reactors, investigation of the corresponding advanced cladding materials is attracting intensive scrutiny. Nanostructured ferritic alloy (NFA), which has excellent irradiation resistance and mechanical performance, is one primary candidate for future fission and fusion reactors. The NFA alloys are composed of nano-grained Fe-Cr alloy domains and Y-Ti-O-Cr-Fe enriched nano-clusters. The nano-clusters can not only prevent dislocation glide, grain growth, and grain boundary slip, but also act as sinks to trap helium atoms and radiation-generated point defects. In addition, NFAs can provide high temperature strength and prominent thermal stability, which are beneficial to nuclear cladding applications. Silicon carbide (SiC) is another nuclear cladding candidate. Due to its physical and chemical stability, it shows very good refractory properties at high temperatures up to 2000 deg. C, which has enabled its wide applications in combustion chamber and aerospace engines. In addition, SiC has the remarkable characteristic of radiation stability. SiCf/SiC composite has been developed as an alternative cladding material to metallic alloys. Theoretical simulation is also being developed to understand irradiation induced defects in SiC. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process uses sampling to select equipment for functional acceptance testing when large quantities of equipment are present. Although this approach is generally effective in identifying wide-spread issues, it has several shortcomings: it fails to evaluate equipment not included in the sample, provides only a one-time validation of equipment operation, and the standard documentation is a simple checklist of pass/fail questions. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. This presentation highlights the advantages offered by automated functional testing in this critical laboratory setting: (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with Connected Commissioning and the important conversations with key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗
DOE OSTI2024

Cybersecurity Considerations and Research Pathways for Grid-Interactive Efficient Buildings

Federal facilities serve critical missions and functions that require safe, reliable, and efficient operations. Digitization of several facility operations has increased the cost-effectiveness of energy usage and optimization of energy system performance. As the building controls landscape shifts to become more connected and smarter, building operators now face unique opportunities and challenges to adopt smart enabled devices that can lower energy usage while also optimizing building system performance. The grid-interactive efficient buildings (GEB) initiative aims to make buildings cleaner and more flexible through these smart devices. Smart enabled devices allow greater connectivity and control through remote operations and provide crucial data for analytics and increased efficiency. GEBs enable demand flexibility that has the potential to reduce electrical costs and transform the grid edge where buildings connect to power grids. This operation of interconnected systems, if not designed with cybersecurity practices, causes security gaps and introduces potential attack paths by adversarial and non-adversarial entities leading to disruption of operations.

building controls↗
DOE OSTI2025

Provable Security and Resilience in Critical Infrastructure – Next Steps

With the conclusion of the Laboratory Directed Research and Development (LDRD) project on Provable Security and Resilience (PSaR) in Critical Infrastructure, we present forward-looking technical concepts and strategies that build on the project’s outcomes and INL’s long-standing expertise in infrastructure protection. The challenge is to protect critical infrastructure and functions much more efficiently at scale than capable adversaries can attack at scale. After summarizing progress and ongoing work we’ll discuss what are the challenges that remain and what are new/emerging technologies, strategies, and processes to meet those challenges. Finally, we’ll layout concepts that integrate with other protection work in the coming year and beyond. For example, building secure function-specific platforms based on the seL4 microkernel, and considering the successes of Cyber-Informed Engineering as a model for engage, collaboration, and adoption. We look forward to your feedback and collaboration as we refine and expand this vision.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Surface Modification of a MXene by an Aminosilane Coupling Agent

MXenes, two–dimensional (2D) transition metal carbides and/or nitrides, possess surface termination groups such as hydroxyl, oxygen, and fluorine, which are available for surface functionalization. Their surface chemistry is critical in many applications. This article reports amine functionalization of Ti 3 C 2 T x MXene surface with [3–(2–aminoethylamino)–propyl]trimethoxysilane (AEAPTMS). Characterization techniques such as X–ray photoelectron spectroscopy verify the success of the surface functionalization and confirm that the silane coupling agent bonds to Ti 3 C 2 T x surface both physically and chemically. The functionalization changes the MXene surface charge from –35 to +25 mV at neutral pH, which allows for in situ preparation of self–assembled films. Further, surface charge measurements of the functionalized MXene at different pH values show that the functionalized MXene has an isoelectric point at a pH around 10.7, and the highest reported positive surface charge of +62 mV at a pH of 2.58. Furthermore, the existence of a mixture of different orientations of AEAPTMS and the simultaneous presence of protonated and free amine groups on the surface of Ti 3 C 2 T x are demonstrated. As a result, the availability of free amine groups on the surface potentially permits the fabrication of crosslinked electrically conductive MXene/epoxy composites, dye adsorbents, high–performance membranes, and drug carriers. Surface modifications of this type are applicable to many other MXenes.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Steamworlds: Atmospheric Structure and Critical Mass of Planets Accreting Icy Pebbles

In the core accretion model, gas-giant planets first form a solid core, which then accretes gas from a protoplanetary disk when the core exceeds a critical mass. Here, we model the atmosphere of a core that grows by accreting ice-rich pebbles. The ice fraction of pebbles evaporates in warm regions of the atmosphere, saturating it with water vapor. Excess water precipitates to lower altitudes. Beneath an outer radiative region, the atmosphere is convective, following a moist adiabat in saturated regions due to water condensation and precipitation. Atmospheric mass, density, and temperature increase with core mass. For nominal model parameters, planets with core masses (ice + rock) between 0.08 and 0.16 Earth masses have surface temperatures between 273 and 647 K and form an ocean. In more massive planets, water exists as a supercritical convecting fluid mixed with gas from the disk. Typically, the core mass reaches a maximum (the critical mass) as a function of the total mass when the core is 2–5 Earth masses. The critical mass depends in a complicated way on pebble size, mass flux, and dust opacity due to the occasional appearance of multiple core-mass maxima. The core mass for an atmosphere of 50% hydrogen and helium may be a more robust indicator of the onset of gas accretion. This mass is typically 1–3 Earth masses for pebbles that are 50% ice by mass, increasing with opacity and pebble flux and decreasing with pebble ice/rock ratio.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

An exactly solvable quench protocol for integrable spin models

Quantum quenches in continuum field theory across critical points are known to display different scaling behaviours in different regimes of the quench rate. We extend these results to integrable lattice models such as the transverse field Ising model on a one-dimensional chain and the Kitaev model on a two-dimensional honeycomb lattice using a nonlinear quench protocol which allows for exact analytical solutions of the dynamics. Our quench protocol starts with a finite mass gap at early times and crosses a critical point or a critical region, and we study the behaviour of one point functions of the quenched operator at the critical point or in the critical region as a function of the quench rate. For quench rates slow compared to the initial mass gap, we find the expected Kibble-Zurek scaling. In contrast, for rates fast compared to the mass gap, but slow compared to the inverse lattice spacing, we find scaling behaviour similar to smooth fast continuum quenches. For quench rates of the same order of the lattice scale, the one point function saturates as a function of the rate, approaching the results of an abrupt quench. The presence of an extended critical surface in the Kitaev model leads to a variety of scaling exponents depending on the starting point and on the time where the operator is measured. We discuss the role of the amplitude of the quench in determining the extent of the slow (Kibble-Zurek) and fast quench regimes, and the onset of the saturation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations

Spontaneous chemical reactivity at multivalent (Mg, Ca, Zn, Al) electrode surfaces is critical to solid electrolyte interphase (SEI) formation, and hence, directly affects the longevity of batteries. Here, we report an investigation of the reactivity of 0.5 M Mg(TFSI)2 in 1,2-dimethoxyethane (DME) solvent at a Mg(0001) surface using ab initio molecular dynamics (AIMD) simulations and detailed Bader charge analysis. Based on the simulations, the initial degradation reactions of the electrolyte strongly depend on the structure of the Mg(TFSI)2 species near the anode surface. At the surface, the dissociation of Mg(TFSI)2 species occurs via cleavage of the N-S bond for the solvent separated ion pair (SSIP) and via cleavage of the C-S bond for the contact ion pair (CIP) configuration. In the case of the CIP, both TFSI anions undergo spontaneous bond dissociation reactions to form atomic O, C, S, F, and N species adsorbed on the surface of the Mg anode. These products indicate that the initial SEI layer formed on the surface of the pristine Mg anode consists of a complex mixture of multiple components such as oxides, carbides, sulfides, fluorides, and nitrides. We believe that the atomic level insights gained from these simulations will lay the groundwork for the rational design of tailored and functional interphases that are critical for the success of multivalent battery technology.

Agarwal, Garvit↗
DOE OSTI2015

Influence of Domain Width on Vortex Nucleation in Superconductor/Ferromagnet Hybrid Structures.

We have investigated the effect of spatially inhomogenous magnetic fields on vortex nucleation in magnetically coupled superconductor/ferromagnet hybrid structures. Using low-temperature scanning tunneling microscopy and spectroscopy (LT-STM/STS) we have studied Pb/[Co-Pd] systems with slightly inhomogeneous magnetic domain width throughout the sample. Visualization of the underlying magnetic template structure is achieved through field dependent conductance maps. In the case of zero applied fields, these maps reveal the absence of vortices below a threshold domain width. At those locations with insufficient domain width to support generation of vortices in zero applied fields, nucleation can be restored through the application of an external magnetic field, with vortices nucleating above the domain parallel to the external field. For the magnetic domain width studied in this work, local tunneling spectroscopy reveals uniform superconducting critical temperature as a function of location, despite of local differences in the stray field experienced by the superconductor.

Low Temperature Superconductors↗
DOE OSTI2015

Big Data in Reciprocal Space: Sliding Fast Fourier Transforms for Determining Periodicity

Significant advances in atomically resolved imaging of crystals and surfaces have occurred in the last decade allowing unprecedented insight into local crystal structures and periodicity. Yet, the analysis of the long-range periodicity from the local imaging data, critical to correlation of functional properties and chemistry to the local crystallography, remains a challenge. Here, we introduce a Sliding Fast Fourier Transform (FFT) filter to analyze atomically resolved images of in-situ grown La5/8Ca3/8MnO3 films. We demonstrate the ability of sliding FFT algorithm to differentiate two sub-lattices, resulting from a mixed-terminated surface. Principal Component Analysis (PCA) and Independent Component Analysis (ICA) of the Sliding FFT dataset reveal the distinct changes in crystallography, step edges and boundaries between the multiple sub-lattices. The method is universal for images with any periodicity, and is especially amenable to atomically resolved probe and electron-microscopy data for rapid identification of the sub-lattices present.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Density of States and Spectral Function of a Superconductor out of a Quantum-Critical Metal

We analyze the validity of a quasiparticle description of a superconducting state above a metallic quantum-critical point (QCP). A normal state at a QCP is a non-Fermi liquid with no coherent quasiparticles. A superconducting order gaps out low-energy excitations, except for a sliver of states for non-s-wave gap symmetry, and at a first glance, restores coherent quasiparticle behavior. We argue that this does not necessarily hold as the fermionic self-energy may remain singular above the gap edge. This singularity gives rise to markedly non-BCS behavior of the density of states and to the appearance of a nondispersing mode at the gap edge in the spectral function. We analyze the set of quantum-critical models with an effective dynamical four-fermion interaction V(Ω) ∝ 1/Ω γ , where Ω is a frequency of a boson, which mediates the interaction. We show that coherent quasiparticle behavior in a superconducting state holds for γ < 1/2, but breaks down for larger γ. Here, we discuss signatures of quasiparticle breakdown and compare our results with the photoemission data for Bi2201 and Bi2212.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Global patterns of drought recovery

Drought has major impacts on natural and human systems, and is especially important for land carbon sink variability due to its influence on terrestrial biosphere climate regulation. While 20th Century trends in drought regimes have been varied, “more extreme extremes”, including more frequent and severe droughts, are expected in the 21st Century. Recovery time, the length of time an ecosystem requires to revert to its pre-drought functional state, is a critical metric of drought impact. Yet the factors influencing drought recovery and its spatiotemporal patterns are largely unknown. Here we use three independent global data products of gross primary productivity to show that, across diverse terrestrial ecosystems, drought recovery times are strongly associated with climate and carbon cycle dynamics, with biodiversity and CO 2 fertilization as secondary factors. Our analysis also provides two key insights into the spatiotemporal patterns of drought recovery time: (1) Across the globe, recovery is longest in the tropics and high northern latitudes—critical tipping elements in Earth’s climate system. (2) Drought impacts, the area of ecosystems under active recovery and recovery times, have increased over the 20th century. If future droughts become more frequent, time between droughts may become shorter than drought recovery time, leading to chronically impacted ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process for a building often implements sampling rates to select equipment for functional acceptance testing when large quantities of equipment are present. While this approach is generally effective in identifying wide-spread issues, it has several key shortfalls. (1) It provides a one-time validation of equipment operation in which the standard documentation is a simple checklist of pass/fail questions. (2) It fails to evaluate equipment not included in the sample rate selection. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. The goal of this presentation will be to highlight the advantages offered by automated functional testing in this critical laboratory setting. These are primarily (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with connected commissioning and the important conversations with the key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗
DOE OSTI2010

Structure Function Studies of Vaccinia Virus Host Range Protein K1 Reveal a Novel Functional Surface for Ankyrin Repeat Proteins

Poxvirus host tropism at the cellular level is regulated by virus-encoded host range proteins acting downstream of virus entry. The functioning mechanisms of most host range proteins are unclear, but many contain multiple ankyrin (ANK) repeats, a motif that is known for ligand interaction through a concave surface. We report here the crystal structure of one of the ANK repeat-containing host range proteins, the vaccinia virus K1 protein. The structure, at a resolution of 2.3 {angstrom}, showed that K1 consists entirely of ANK repeats, including seven complete ones and two incomplete ones, one each at the N and C terminus. Interestingly, Phe82 and Ser83, which were previously shown to be critical for K1's function, are solvent exposed and located on a convex surface, opposite the consensus ANK interaction surface. The importance of this convex surface was further supported by our additional mutagenesis studies. We found that K1's host range function was negatively affected by substitution of either Asn51 or Cys47 and completely abolished by substitution of both residues. Cys47 and Asn51 are also exposed on the convex surface, spatially adjacent to Phe82 and Ser83. Altogether, our data showed that K1 residues on a continuous convex ANK repeat surface are critical for the host range function, suggesting that K1 functions through ligand interaction and does so with a novel ANK interaction surface.

36 MATERIALS SCIENCE↗