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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

Here, we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We then introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad search for new linkers that satisfy the topological requirements of MOF-74 and consider the largest database of known chemical space for organic compounds, the PubChem database. Our in silico crystal assembly, when combined with dispersion-corrected density functional theory (DFT) calculations, is demonstrated to generate a hypothetical library of open-metal site containing MOF-74 analogs in the 1-D rod topology from which we can simulate the adsorption behavior of CO 2 . We conclude that these hypothetical structures have synthesizable potential through computational identification and experimental validation of a novel MOF-74 analog, Mg 2 (olsalazine).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Charging toward improved lithium-ion polymer electrolytes: exploiting synergistic experimental and computational approaches to facilitate materials design

Ion-conducting polymer electrolytes are attractive materials for all-solid-state lithium-ion batteries (LiBs) as a result of their potential to improve performance, mitigate safety concerns, and facilitate efficient device processing. Understanding how lithium-ionic transport is influenced by the macromolecular features, such as dielectric strength, solvation site connectivity, monomer segment relaxation timescales, segregation strength, and mesophase composition, is crucial for advancing ion-conducting materials. The integration of experimental and computational efforts can provide comprehensive links between chemical and structural characteristics (e.g., ion solvation, chain mobility, morphology) and macroscopic performance properties, accelerating the adoption of next-generation polymer electrolytes. Furthermore, this perspective highlights several synergistic experimental–computational approaches that have provided unique insights into local ion and polymer interactions, chain dynamics, and thermodynamics to promote the rational design of new ion-conducting polymers. Additionally, this work concludes with several suggested areas in which methodologies can be augmented, novel properties can be realized, and polymer electrolytes can be integrated to generate more robust LiB systems.

25 ENERGY STORAGE↗
DOE OSTI2011

The experimental plan for cryogenic layered target implosions on the National Ignition Facility—The inertial confinement approach to fusion

Ignition requires precisely controlled, high convergence implosions to assemble a dense shell of deuterium-tritium (DT) fuel with ρR>~1 g/cm 2 surrounding a 10 keV hot spot with ρR ~ 0.3 g/cm 2 . A working definition of ignition has been a yield of ~1 MJ. At this yield the α-particle energy deposited in the fuel would have been ~200 kJ, which is already ~10 × more than the kinetic energy of a typical implosion. The National Ignition Campaign includes low yield implosions with dudded fuel layers to study and optimize the hydrodynamic assembly of the fuel in a diagnostics rich environment. The fuel is a mixture of tritium-hydrogen-deuterium (THD) with a density equivalent to DT. The fraction of D can be adjusted to control the neutron yield. Yields of ~10 14-15 14 MeV (primary) neutrons are adequate to diagnose the hot spot as well as the dense fuel properties via down scattering of the primary neutrons. X-ray imaging diagnostics can function in this low yield environment providing additional information about the assembled fuel either by imaging the photons emitted by the hot central plasma, or by active probing of the dense shell by a separate high energy short pulse flash. The planned use of these targets and diagnostics to assess and optimize the assembly of the fuel and how this relates to the predicted performance of DT targets is described. It is found that a good predictor of DT target performance is the THD measurable parameter, Experimental Ignition Threshold Factor, ITFX ~ Y × dsf 2.3 , where Y is the measured neutron yield between 13 and 15 MeV, and dsf is the down scattered neutron fraction defined as the ratio of neutrons between 10 and 12 MeV and those between 13 and 15 MeV.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Experimental Status of the Longitudinal Structure Function, F{sub L}

The current experimental status of the longitudinal structure structure function is discussed. In particular, recent measurements from the JLab Hall C program on proton, deuteron, and nuclei, which cover a range from moderate to large Bjorken x and 0.1 < Q{sup 2} < 4 (GeV/c){sup 2} are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

ELMy H-mode linear simulation with 3-field model on experimental advanced superconducting tokamak using BOUT++

H-mode plasmas with ELM (edge localized mode) have been realized on experimental advanced superconducting tokamak (EAST) with 2.45 GHz low hybrid wave at P{sub LHW}{approx}1 MW in 2010. Data from EAST experiments including magnetic geometry, measured pressure profiles, and calculated current profiles are used to investigate the physics of ELM utilizing the BOUT++ code. Results from linear simulations show that the ELMs in EAST are dominated by resistive ballooning modes. When the Lundquist number (dimensionless ratio of the resistive diffusion time to the Alfven time) is equal to or less than 10{sup 7}, the resistive ballooning modes are found to become unstable in the ELMy H-mode plasma. For a fixed pedestal pressure profile, increasing plasma current generates more activities of low-n ELMs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Resolving small signal measurements in experimental plasma environments using calibrated subtraction of noise signals

The performance of many diagnostic and control systems within fusion and other fields of research are often detrimentally affected by spurious noise signals. This is particularly true for those (such as radiation or particle detectors) working with very small signals. Common sources of radiated and conducted noise in experimental fusion environments include the plasma itself and instrumentation. The noise complicates data analysis, as illustrated by noise on signals measured with the heavy ion beam probe (HIBP) installed on the Madison Symmetric Torus. The noise is time-varying and often exceeds the secondary ion beam current (in contrast with previous applications). Analysis of the noise identifies the dominant source as photoelectric emission from the detectors induced by ultraviolet light from the plasma. This has led to the development of a calibrated subtraction technique, which largely removes the undesired temporal noise signals from data. The advantages of the technique for small signal measurement applications are demonstrated through improvements realized on HIBP fluctuation measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Effects of heating power on divertor in-out asymmetry and scrape-off layer flow in reversed field on Experimental Advanced Superconducting Tokamak

The dependence of divertor asymmetry and scrape-off layer (SOL) flow on heating power has been investigated in the Experimental Advanced Superconducting Tokamak (EAST). Divertor plasma exhibits an outboard-enhanced in-out asymmetry in heat flux in lower single null configuration for in reversed (ion ∇B drift direction toward the upper X-point) field directions. Upper single null exhibits an inboard-favored asymmetry in low heating power condition, while exhibits an outboard-favored asymmetry when increasing the heating power. Double null has the strongest in-out asymmetry in heat flux, favoring the outer divertor. The in-out asymmetry ratios of q{sub t,out}/q{sub t,in} and P{sub out}/P{sub total} increase with the power across the separatrix P{sub loss}, which is probably induced by the enhanced radial particle transport due to a large pressure gradient. The characteristics of the measured SOL parallel flow under various discharge conditions are consistent with the Pfirsch-Schlüter (PS) flow with the parallel Mach number M{sub ∥} decreasing with the line averaged density but increasing with P{sub loss}, in the same direction as the PS flow. The contributions of both poloidal E×B drift and parallel flow on poloidal particle transport in SOL on EAST are also assessed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Experimental evidence for the formation of CoFe{sub 2}C phase with colossal magnetocrystalline-anisotropy

Attainment of magnetic order in nanoparticles at room temperature is an issue of critical importance for many different technologies. For ordinary ferromagnetic materials, a reduction in size leads to decreased magnetic anisotropy and results in superparamagnetic relaxations. If, instead, anisotropy could be enhanced at reduced particle sizes, then it would be possible to attain stable magnetic order at room temperature. Herein, we provide experimental evidence substantiating the synthesis of a cobalt iron carbide phase (CoFe{sub 2}C) of nanoparticles. Structural characterization of the CoFe{sub 2}C carbide phase was performed by transmission electron microscopy, electron diffraction and energy electron spectroscopy. X-ray diffraction was also performed as a complimentary analysis. Magnetic characterization of the carbide phase revealed a blocking temperature, T{sub B}, of 790 K for particles with a domain size as small as 5 ± 1 nm. The particles have magnetocrystalline anisotropy of 4.6 ± 2 × 10{sup 6 }J/m{sup 3}, which is ten times larger than that of Co nanoparticles. Such colossal anisotropy leads to thermally stable long range magnetic order. Moreover, the thermal stability constant is much larger than that of the commonly used FePt nanoparticles. With thermal stability and colossal anisotropy, the CoFe{sub 2}C nanoparticles have huge potential for enhanced magnetic data storage devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Long path-length experimental studies of longitudinal phenomena in intense beams

Intense charged particle beams are nonneutral plasmas as they can support a host of plasma waves and instabilities. The longitudinal physics, for a long beam, can often be reasonably described by a 1-D cold-fluid model with a geometry factor to account for the transverse effects. The plasma physics of such beams has been extensively studied theoretically and computationally for decades, but until recently, the only experimental measurements were carried out on relatively short linacs. This work reviews experimental studies over the past five years on the University of Maryland Electron Ring, investigating longitudinal phenomena over time scales of thousands of plasma periods, illustrating good agreement with simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Experimental investigations of ablation stream interaction dynamics in tungsten wire arrays: Interpenetration, magnetic field advection, and ion deflection

Experiments have been carried out to investigate the collisional dynamics of ablation streams produced by cylindrical wire array z-pinches. A combination of laser interferometric imaging, Thomson scattering, and Faraday rotation imaging has been used to make a range of measurements of the temporal evolution of various plasma and flow parameters. This paper presents a summary of previously published data, drawing together a range of different measurements in order to give an overview of the key results. The paper focuses mainly on the results of experiments with tungsten wire arrays. Early interferometric imaging measurements are reviewed, then more recent Thomson scattering measurements are discussed; these measurements provided the first direct evidence of ablation stream interpenetration in a wire array experiment. Combining the data from these experiments gives a view of the temporal evolution of the tungsten stream collisional dynamics. In the final part of the paper, we present new experimental measurements made using an imaging Faraday rotation diagnostic. These experiments investigated the structure of magnetic fields near the array axis directly; the presence of a magnetic field has previously been inferred based on Thomson scattering measurements of ion deflection near the array axis. Although the Thomson and Faraday measurements are not in full quantitative agreement, the Faraday data do qualitatively supports the conjecture that the observed deflections are induced by a static toroidal magnetic field, which has been advected to the array axis by the ablation streams. It is likely that detailed modeling will be needed in order to fully understand the dynamics observed in the experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data

In the past few decades, prediction of macromolecular structures beyond the native conformation has been aided by the development of molecular dynamics (MD) protocols aimed at exploration of the energetic landscape of proteins. Yet, the computed structures do not always agree with experimental observables, calling for further development of the MD strategies to bring the computations and experiments closer together. Here, we report a scalable, efficient MD simulation approach that incorporates an x-ray solution scattering signal as a driving force for the conformational search of stable structural configurations outside of the native basin. We further demonstrate the importance of inclusion of the hydration layer effect for a precise description of the processes involving large changes in the solvent exposed area, such as unfolding. Utilization of the graphics processing unit allows for an efficient all-atom calculation of scattering patterns on-the-fly, even for large biomolecules, resulting in a speed-up of the calculation of the associated driving force. The utility of the methodology is demonstrated on two model protein systems, the structural transition of lysine-, arginine-, ornithine-binding protein and the folding of deca-alanine. We discuss how the present approach will aid in the interpretation of dynamical scattering experiments on protein folding and association.

Hsu, Darren J.↗
DOE OSTI2017

Gas Gun Model and Comparison to Experimental Performance of Pipe Guns Operating with Light Propellant Gases and Large Cryogenic Pellets

Injection of multiple large (~10 to 30 mm diameter) shattered pellets into ITER plasmas is presently part of the scheme planned to mitigate the deleterious effects of disruptions on the vessel components. To help in the design and optimize performance of the pellet injectors for this application, a model referred to as “the gas gun simulator” has been developed and benchmarked against experimental data. The computer code simulator is a Java program that models the gas-dynamics characteristics of a single-stage gas gun. Following a stepwise approach, the code utilizes a variety of input parameters to incrementally simulate and analyze the dynamics of the gun as the projectile is launched down the barrel. Using input data, the model can calculate gun performance based on physical characteristics, such as propellant-gas and fast-valve properties, barrel geometry, and pellet mass. Although the model is fundamentally generic, the present version is configured to accommodate cryogenic pellets composed of H2, D2, Ne, Ar, and mixtures of them and light propellant gases (H2, D2, and He). The pellets are solidified in situ in pipe guns that consist of stainless steel tubes and fast-acting valves that provide the propellant gas for pellet acceleration (to speeds ~200 to 700 m/s). The pellet speed is the key parameter in determining the response time of a shattered pellet system to a plasma disruption event. The calculated speeds from the code simulations of experiments were typically in excellent agreement with the measured values. With the gas gun simulator validated for many test shots and over a wide range of physical and operating parameters, it is a valuable tool for optimization of the injector design, including the fast valve design (orifice size and volume) for any operating pressure (~40 bar expected for the ITER application) and barrel length for any pellet size (mass, diameter, and length). Key design parameters and proposed values for the pellet injectors for the ITER disruption mitigation systems are discussed.

Combs, Stephen Kirk↗
DOE OSTI2017

94 {beta}-Decay Half-Lives of Neutron-Rich 55Cs to 67Ho: Experimental Feedback and Evaluation of the r-Process Rare-Earth Peak Formation

The β-decay half-lives of 94 neutron-rich nuclei 144$-$151 Cs, 146$-$154 Ba, 148$-$156 La, 150$-$158 Ce, 153$-$160 Pr, 156$-$162 Nd, 159$-$163 Pm, 160$-$166 Sm, 161$-$168 Eu, 165$-$170 Gd, 166$-$172 Tb, 169$-$173 Dy, 172$-$175 Ho, and two isomeric states 174m Er, 172m Dy were measured at the Radioactive Isotope Beam Factory, providing a new experimental basis to test theoretical models. Strikingly large drops of β-decay half-lives are observed at neutron-number N = 97 for 58 Ce, 59 Pr, 60 Nd, and 62 Sm, and N = 105 for 63 Eu, 64 Gd, 65 Tb, and 66 Dy. Lastly, features in the data mirror the interplay between pairing effects and microscopic structure. r-process network calculations performed for a range of mass models and astrophysical conditions show that the 57 half-lives measured for the first time play an important role in shaping the abundance pattern of rare-earth elements in the solar system

Wu, J.↗
DOE OSTI2017

Experimental Demonstration of a Cheap and Accurate Phase Estimation

We demonstrate an experimental implementation of robust phase estimation (RPE) to learn the phase of a single-qubit rotation on a trapped Yb + ion qubit. Here, we show this phase can be estimated with an uncertainty below 4 × 10 -4 rad using as few as 176 total experimental samples, and our estimates exhibit Heisenberg scaling. Unlike standard phase estimation protocols, RPE neither assumes perfect state preparation and measurement, nor requires access to ancillae. We crossvalidate the results of RPE with the more resource-intensive protocol of gate set tomography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Towards FAIR Workflows for Federated Experimental Sciences

A de-centralized, peer-to-peer AI metadata framework is demonstrated which can enable end-to-end metadata & lineage tracking for distributed Machine Learning pipelines spanning edge, High Performance Computing, and cloud environments. With a specific example of end-to-end microscopy algorithm and datasets, the proposed method shows how to enable reproducibility, audit trail, provenance of metadata artifacts. The emerging needs of automation in experimental sciences, ML-centric workflows, and FAIR metadata management across federated compute environments is addressed.

machine learning↗
DOE OSTI2023

Experimental Evidence on Latency in a Fleet of Controllable Water Heaters

Demand response is an important emerging part of smart grids with wide coverage in theoretical and modeling research. However, experimental evidence on the real-life behavior of controllable loads is still limited. We present observations regarding latency and communication aspects of the operation on a fleet of residential water heaters in a smart neighborhood in Atlanta, GA. Our analysis shows that latency in water heaters is not constant and does not follow a Gaussian distribution. We also find that there is a systematic relationship between latency and hour of the day. Latency was found to increase during morning and evening hours compared to the afternoon. These findings could help better plan deployment of control for demand response programs. Understanding delays associated with controlling smart devices is crucial for proper design and algorithm development for optimization, frequency of dispatch, and override detection.

communication delay↗
DOE OSTI2017

Experimental Evaluation of Grid Support Enabled PV Inverter Response to Abnormal Grid Conditions

As revised interconnection standards for grid-tied photovoltaic (PV) inverters address new advanced grid support functions (GSFs), there is increasing interest in inverter performance in the case of abnormal grid conditions. The growth of GSF-enabled inverters has outpaced the industry standards that define their operation, although recently published updates to UL1741 Supplement SA define test conditions for GSFs such as volt-var control, frequency-watt control, and voltage/frequency ride-through, among others. This paper describes the results of a comparative experimental evaluation on four commercially available, three-phase PV inverters in the 24.0-39.8 kVA power range on their GSF capability and its effect on abnormal grid condition response. The evaluation examined the impact particular GSF implementations have on run-on times during islanding conditions, peak voltages in load rejection overvoltage scenarios, and peak currents during single-phase and three-phase fault events for individual inverters. Testing results indicated a wide variance in the performance of GSF enabled inverters to various test cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗