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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Validation on Aggregate Flexibility from Residential Air Conditioning Systems for Building-to-Grid Integration

To facilitate the integration of buildings to the power grid, battery-equivalent models have been proposed to characterize and quantify aggregate flexibility from building loads. An analytical method has been proposed to construct such a flexibility model for thermostatically controlled loads. Since this analytical method is derived from a simplified representation of building thermal dynamics, it is necessary to evaluate the resulting flexibility model in a more realistic context. This paper focuses on the validation of this analytical method for estimating aggregate flexibility from residential air conditioning (ACs) systems. A high-fidelity model is first developed to mimic thermal behaviors of a residential AC system through a co-simulation between Modelica and EnergyPlus. A population of virtual residential AC systems is then generated by randomizing parameters of the high-fidelity model. Finally, an aggregate flexibility model is constructed for the residential AC population using the analytical method and validated using results from simulation of the high-fidelity model. It is found that the flexibility estimated using the analytical method is with reasonable accuracy, but can be improved by explicitly incorporating heat gains into the method.

Huang, Sen↗
DOE OSTI2016

Structural integrity--Searching the key factor to suppress the voltage fade of Li-rich layered cathode materials through 3D X-ray imaging and spectroscopy techniques

Li-rich layered materials are important cathode compounds used in commercial lithium ion batteries, which, however, suffers from some drawbacks including the so-called voltage fade upon electrochemical cycling. Here, our study employs novel transmission X-ray microscopy to investigate the electrochemical reaction induced morphological and chemical changes in the Li-rich Li 2 Ru 0.5 Mn 0.5 O 3 cathode particles at the meso to nano scale. We performed combined X-ray spectroscopy, diffraction and microscopy experiments to systematically study this cathode material's evolution upon cycling as well as to establish a comprehensive understanding of the structural origin of capacity fade through 2D and 3D fine length scale morphology and heterogeneity change of this material. This work suggests that atomic manipulation (e.g. doping, substitution etc.) or nano engineering (e.g. nano-sizing, heterogeneous structure) are important strategies to mitigate the internal strain and defects induced by extensive lithium insertion/extraction. It also shows that maintaining the structural integrity is the key in designing and synthesizing lithium-rich layered materials with better cycle stability.

25 ENERGY STORAGE↗
DOE OSTI2022

Tensor Network Path Integral Study of Dynamics in B850 LH2 Ring with Atomistically Derived Vibrations

The recently introduced multisite tensor network path integral (MS-TNPI) allows simulation of extended quantum systems coupled to dissipative media. We use MS-TNPI to simulate the exciton transport and the absorption spectrum of a B850 bacteriochlorophyll (BChl) ring. The MS-TNPI network is extended to account for the ring topology of the B850 system. Accurate molecular-dynamics-based description of the molecular vibrations and the protein scaffold is incorporated through the framework of Feynman–Vernon influence functional. To relate the present work with the excitonic picture, an exploration of the absorption spectrum is done by simulating it using approximate and topologically consistent transition dipole moment vectors. Comparison of these numerically exact MS-TNPI absorption spectra are shown with second-order cumulant approximations. Finally, the effect of temperature on both the exact and the approximate spectra is also explored.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Integrated Reference Electrodes in Anion-Exchange-Membrane Electrolyzers: Impact of Stainless-Steel Gas-Diffusion Layers and Internal Mechanical Pressure

Alkaline-membrane electrolyzers operating in pure water might provide scalable low-cost H 2 production but currently lag in performance and durability compared to commercial technologies. Typically, membrane–electrode assemblies (MEAs) are optimized in electrolyzers by changing one parameter at a time and assessing the resulting system performance via two-electrode polarization and impedance measurements. These approaches are limited in their ability to assign performance changes and durability to specific electrodes or processes. We integrate a reference electrode with the MEA to separate anode and cathode responses in both polarization and impedance measurements. Here we illustrate the power of the approach by showing how the fiber diameter of stainless-steel gas-diffusion layers (GDLs) affects performance solely at the anode, while changing the thickness of the cathode GDL simultaneously affects the performance of the anode and cathode due to changes in internal pressure from mechanical compression. This finding was obscured in conventional two-electrode measurements. The work thus guides both high-performance alkaline-membrane water-electrolyzer development and illustrates a useful strategy to study structure–activity relationships in the MEA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Hyperexpandable, self-healing macromolecular crystals with integrated polymer networks

Formation of condensed matter typically involves a trade-off between structural order and flexibility. As the extent and directionality of interactions between atomic or molecular components increase, materials generally become more ordered but less compliant and vice versa. Yet, high levels of structural order and flexibility need not necessarily be mutually exclusive: there are many biological (e.g., microtubules, flagella, viruses) and synthetic assemblies (e.g., dynamic molecular crystals and frameworks) that can undergo considerable structural transformations without losing their crystalline order and possess remarkable mechanical properties with utility in diverse applications such as selective sorption, separation, sensing, and mechanoactuation. Ultimately, however, the extent of structural changes by such flexible crystals and their elasticity are constrained by the necessity to maintain a continuous network of bonding interactions between the constituents of the lattice. Consequently, even the most dynamic porous materials tend to be brittle and isolated as microcrystalline powders,14 and flexible organic/inorganic molecular crystals cannot expand without fracturing. Owing to their rigidity, crystalline materials rarely display self-healing behavior. Here we report that macromolecular ferritin crystals with integrated hydrogel polymers can isotropically expand to 180% of their original dimensions and >500% of their original volume while retaining periodic order and faceted Wulff morphologies. Even after the separation of neighboring ferritin molecules by 50 Å upon lattice expansion, specific molecular contacts between them can be reformed upon lattice contraction, resulting in the recovery of atomic-level periodicity and the highest resolution ferritin structure reported. Dynamic bonding interactions between the hydrogel network and the ferritin molecules endow the crystals with the ability to resist fragmentation and self-heal efficiently, while the chemical tailorability of the ferritin molecules enables the creation of chemically and mechanically differentiated domains within single crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Variational integration for ideal magnetohydrodynamics with built-in advection equations

Newcomb's Lagrangian for ideal magnetohydrodynamics (MHD) in Lagrangian labeling is discretized using discrete exterior calculus. Variational integrators for ideal MHD are derived thereafter. Besides being symplectic and momentum-preserving, the schemes inherit built-in advection equations from Newcomb's formulation, and therefore avoid solving them and the accompanying error and dissipation. We implement the method in 2D and show that numerical reconnection does not take place when singular current sheets are present. We then apply it to studying the dynamics of the ideal coalescence instability with multiple islands. The relaxed equilibrium state with embedded current sheets is obtained numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Integrated modeling of temperature profiles in L-mode tokamak discharges

Simulations of doublet III-D, the joint European tokamak, and the tokamak fusion test reactor L-mode tokamak plasmas are carried out using the PTRANSP predictive integrated modeling code. The simulation and experimental temperature profiles are compared. The time evolved temperature profiles are computed utilizing the Multi-Mode anomalous transport model version 7.1 (MMM7.1) which includes transport associated with drift-resistive-inertial ballooning modes (the DRIBM model [T. Rafiq et al., Phys. Plasmas 17, 082511 (2010)]). The tokamak discharges considered involved a broad range of conditions including scans over gyroradius, ITER like current ramp-up, with and without neon impurity injection, collisionality, and low and high plasma current. The comparison of simulation and experimental temperature profiles for the discharges considered is shown for the radial range from the magnetic axis to the last closed flux surface. The regions where various modes in the Multi-Mode model contribute to transport are illustrated. In the simulations carried out using the MMM7.1 model it is found that: The drift-resistive-inertial ballooning modes contribute to the anomalous transport primarily near the edge of the plasma; transport associated with the ion temperature gradient and trapped electron modes contribute in the core region but decrease in the region of the plasma boundary; and neoclassical ion thermal transport contributes mainly near the center of the discharge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Integrated three-dimensional photonic nanostructures for achieving near-unity solar absorption and superhydrophobicity

In this paper, we proposed and realized 3D photonic nanostructures consisting of ultra-thin graded index antireflective coatings (ARCs) and woodpile photonic crystals. The use of the integrated ARC and photonic crystal structure can achieve broadband, broad-angle near unity solar absorption. The amorphous silicon based photonic nanostructure experimentally shows an average absorption of ∼95% for λ = 400–620 nm over a wide angular acceptance of θ = 0°–60°. Theoretical studies show that a Gallium Arsenide (GaAs) based structure can achieve an average absorption of >95% for λ = 400–870 nm. Furthermore, the use of the slanted SiO{sub 2} nanorod ARC surface layer by glancing angle deposition exhibits Cassie-Baxter state wetting, and superhydrophobic surface is obtained with highest water contact angle θ{sub CB} ∼ 153°. These properties are fundamentally important for achieving maximum solar absorption and surface self-cleaning in thin film solar cell applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Invited Article: A novel calibration method for the JET real-time far infrared polarimeter and integration of polarimetry-based line-integrated density measurements for machine protection of a fusion plant

In this paper, we present the work in the implementation of a new calibration for the JET real-time polarimeter based on the complex amplitude ratio technique and a new self-validation mechanism of data. This allowed easy integration of the polarimetry measurements into the JET plasma density control (gas feedback control) and as well as machine protection systems (neutral beam injection heating safety interlocks). The new addition was used successfully during 2014 JET Campaign and is envisaged that will operate routinely from 2015 campaign onwards in any plasma condition (including ITER relevant scenarios). This mode of operation elevated the importance of the polarimetry as a diagnostic tool in the view of future fusion experiments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗