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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Additive Manufacturing of Thermal Energy Storage Composites with Microencapsulated Phase Change Materials Supported in a Multi-Polymer Matrix

Advanced manufacturing techniques, such as additive manufacturing (AM), that can directly integrate phase change materials (PCMs) have garnered interest in recent years due to their potential for development of highly efficient thermal energy storage architectures. Complex, high surface area geometries embedded with PCMs that are only feasible with AM can improve thermal management with reduced material waste. Our work focuses on developing composite filaments with microencapsulated phase change materials (MEPCM) bound within a single or dual polymer matrix that can be processed through standard filament extruders and additively manufactured using off-the-shelf 3D printers. Polymer powders, rather than polymer pellets, were key to homogenously mixed filaments achieving high MEPCM loadings with no deterioration in thermal energy storage (TES) capability during extrusion. Composite filaments contain upwards of 60 wt% MEPCM and were printed without loss in feature resolution, print speed, or layer adhesion. Storage enthalpies of printed composites range from 100 - 130 kJ/kg, which were within 5% of the theoretical enthalpy based on weight fraction of MEPCM and maintained enthalpies within 1% over 500 thermal cycles. We can reliably manufacture low density, high surface area structures like 15% gyroid infill, along with dense, compact pucks at a 100% concentric infill. Prints were also scalable to a 900 cm3 honeycomb infill heat exchanger model that has an estimated energy storage capacity of 9 Wh.

3D printing↗
DOE OSTI2011

Characterization of Metalloproteins by High-throughput X-ray Absorption Spectroscopy

High-throughput X-ray absorption spectroscopy was used to measure transition metal content based on quantitative detection of X-ray fluorescence signals for 3879 purified proteins from several hundred different protein families generated by the New York SGX Research Center for Structural Genomics. Approximately 9% of the proteins analyzed showed the presence of transition metal atoms (Zn, Cu, Ni, Co, Fe, or Mn) in stoichiometric amounts. The method is highly automated and highly reliable based on comparison of the results to crystal structure data derived from the same protein set. To leverage the experimental metalloprotein annotations, we used a sequence-based de novo prediction method, MetalDetector, to identify Cys and His residues that bind to transition metals for the redundancy reduced subset of 2411 sequences sharing <70% sequence identity and having at least one His or Cys. As the HT-XAS identifies metal type and protein binding, while the bioinformatics analysis identifies metal-binding residues, the results were combined to identify putative metal-binding sites in the proteins and their associated families. We explored the combination of this data with homology models to generate detailed structure models of metal-binding sites for representative proteins. Finally, we used extended X-ray absorption fine structure data from two of the purified Zn metalloproteins to validate predicted metalloprotein binding site structures. This combination of experimental and bioinformatics approaches provides comprehensive active site analysis on the genome scale for metalloproteins as a class, revealing new insights into metalloprotein structure and function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Passivation Mechanisms in Locally Etched P-Type Poly-Si on Silicon Nitride/Silicon Oxide Stack

Tunneling oxide passivated contacts are quickly becoming the industry standard for high-efficiency c-Si based photovoltaic cells. Further development of these structures is essential to enable higher efficiencies and better reliability of cells. By utilizing poly-Si/SixNy/SiOx stacks, very high efficiencies have been demonstrated on small area cells. In this work we investigate the cause of the excellent passivation seen by these structures and show that the primary reason of the excellent passivation seen is the blocking B diffusion to the SiOx/c -Si interface. We also show that the interface between the silicon nitride and polysilicon affects B diffusion through to the c-Si interface. Finally, we demonstrate that the composition of the nitride used is of great importance, and that an incorrect nitride composition leads to B diffusion, and is directly correlated to poor passivation performance.

industries↗
DOE OSTI2026

Interconnect: Cooperative Research and Development Final Report, CRADA Number CRD-13-00507 (Project 4)

This CRADA modification involves analyses on a variety of CdTe-PV related materials, test structures, solar cells, and modules produced at FSLR and/or NLR and adds analysis related to module degradation and reliability. Materials will be provided by FSLR, NLR, and/or by interleaving FSLR and NLR layers and processes. Module reliability activities will include technical risk assessment, materials characterization, module and test structure characterization, modeling, accelerated test development, and outdoor testing.

14 SOLAR ENERGY↗
DOE OSTI2017

Planck Lensing and Cosmic Infrared Background Cross-correlation with Fermi-LAT: Tracing Dark Matter Signals in the Gamma-Ray Background

The extragalactic γ-ray background and its spatial anisotropy could potentially contain a signature of dark matter (DM) annihilation or particle decay. Astrophysical foregrounds, such as blazars and star-forming galaxies (SFGs), however, dominate the γ-ray background, precluding an easy detection of the signal associated with the DM annihilation or decay in the background intensity spectrum. The DM imprint on the γ-ray background is expected to be correlated with large-scale structure tracers. In some cases, such a cross-correlation is even expected to have a higher signal-to-noise ratio than the auto-correlation. One reliable tracer of the DM distribution in the large-scale structure is lensing of the cosmic microwave background (CMB), and the cosmic infrared background (CIB) is a reliable tracer of SFGs. We analyze Fermi-LAT data taken over 92 months and study the cross-correlation with Planck CMB lensing, Planck CIB, and Fermi-γ maps. We put upper limits on the DM annihilation cross-section from the cross-power spectra with the γ-ray background anisotropies. The unbiased power spectrum estimation is validated with simulations that include cross-correlated signals. We also provide a set of systematic tests and show that no significant contaminations are found for the measurements presented here. Using γ-ray background map from data gathered over 92 months, we find the best constraint on the DM annihilation with a 1σ confidence level upper limit of 10{sup −25}–10{sup −24} cm{sup 3} s{sup −1}, when the mass of DM particles is between 20 and 100 GeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Experimental Validation of Numerical Simulations of a New-Generation NiTi Endodontic File Under Bending

The superelasticity of NiTi shape memory alloy has been used in endodontics since the 1990s. To study the mechanical behavior of endodontic instruments, a traditional approach consists in experimental investigations. However, finite element analysis constitutes another way to assess their mechanical behavior and to facilitate their design. The main aim of this study is to compare experimental and numerical bending results on different structures (NiTi wire, spreader, and instruments) to estimate the reliability of the finite element simulations. These investigations were carried out as follows. Firstly, experimental material parameters identification was performed using NiTi wires. These parameters were implemented in an appropriate NiTi model. Bending was numerically applied to the meshed structures generated by the finite element method. Experimental tests were performed on real structures under bending, with exactly the same loading, in order to compare experimental and numerical results. These results were in good agreement for each of the considered structures. This enabled the validation of the simulation results and the use of simulations to design new endodontic instruments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The structure and migration of twin boundaries in tetragonal β -Sn: An application of machine learning based interatomic potentials

Although atomistic simulations have contributed significantly to our understanding of twin boundary structure and migration in metals and alloys with hexagonal close packed (HCP) crystal structures, few direct atomistic studies of twinning have been conducted for other types of low symmetry materials, in large part due to a lack of reliable interatomic potentials. In this work, we examine twin boundary structure and migration in a tetragonal material, β-Sn, comparing high resolution Transmission Electron Microscopy (TEM) images of deformation twins in β-Sn to the results of direct atomistic simulations using multiple interatomic potentials. ML-based potentials developed in this work are found to give results consistent with our experimental data, revealing faceted twin boundary structures formed by the nucleation and motion of twinning disconnections. We use bicrystallographic methods in combination with atomistic simulations to analyze the structure, energy and shear coupled migration of observed twin facets in β-Sn. In analogy to Prismatic-Basal (PB/BP) interfaces in HCP metals, we discover low energy asymmetric Prismatic-A-plane (PA/AP) interfaces important to twin growth in β-Sn. Finally, a Moment Tensor Potential (MTP) and Rapid Artificial Neural Network (RANN) interatomic potential suitable for studying twinning and phase transformations in Sn are made publicly available as part of this work.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Synergetic effects of II-VI sensitization upon TiO{sub 2} for photoelectrochemical water splitting; a tri-layered structured scheme

World's energy demands are growing on a higher scale increasing the need of more reliable and long term renewable energy resources. Efficient photo-electrochemical (PEC) devices based on novel nano-structured designs for solar-hydrogen generation need to be developed. This study provides an insight of the tri-layered-TiO2 based nanostructures. Observing the mechanism of hydrogen production, the comparison of the structural order during the synthesis is pronounced. The sequence in the tri-layered structure affects the photogenerated electron (e{sup −}) and hole (h{sup +}) pair transfer and separation. It is also discussed that not only the semiconductors band gaps alignment is important with respect to the water redox potential but also the interfacial regions. Quasi-Fermi-level adjustment at the interfacial regions plays a key role in deciding the solar to hydrogen efficiency. More efficient multicomponent semiconductor nano-design (MCSN) could be developed with the approach given in this study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Investigating the electronic structure of high explosives with X-ray Raman spectroscopy

Abstract We investigate the sensitivity and potential of a synergistic experiment-theory X-ray Raman spectroscopy (XRS) methodology on revealing and following the static and dynamic electronic structure of high explosive molecular materials. We show that advanced ab-initio theoretical calculations accounting for the core-hole effect based on the Bethe-Salpeter Equation (BSE) approximation are critical for accurately predicting the shape and the energy position of the spectral features of C and N core-level spectra. Moreover, the incident X-ray dose typical XRS experiments require can induce, in certain unstable structures, a prominent radiation damage at room temperature. Upon developing a compatible cryostat module for enabling cryogenic temperatures ( $$\approx$$ ≈ 10 K) we suppress the radiation damage and enable the acquisition of reliable experimental spectra in excellent agreement with the theory. Overall, we demonstrate the high sensitivity of the recently available state-of-the-art X-ray Raman spectroscopy capabilities in characterizing the electronic structure of high explosives. At the same time, the high accuracy of the theoretical approach may enable reliable identification of intermediate structures upon rapid chemical decomposition during detonation. Considering the increasing availability of X-ray free-electron lasers, such a combined experiment-theory approach paves the way for time-resolved dynamic studies of high explosives under detonation conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Chapter 4: Control

The industry's primary goal for state-of-the-art wind turbine controllers is to maximise the energy capture while keeping the turbine within its operational limits, such as maximum rotor speed or maximum power, which is limited by the generator capacity. To guarantee a reliable operation over the turbine's lifetime, the structural loads need to be kept within their design limits. In the turbine and controller design process, an increase in energy is evaluated against higher loads; the result is that designers usually make specifications that increase material costs.

17 WIND ENERGY↗
DOE OSTI2013

Preliminary safety evaluation of an aircraft impact on a near-surface radioactive waste repository

The aircraft impact accident has become very significant in the design of a nuclear facilities, particularly, after the tragic September 2001 event, that raised the public concern about the potential damaging effects that the impact of a large civilian airplane could bring in safety relevant structures. The aim of this study is therefore to preliminarily evaluate the global response and the structural effects induced by the impact of a military or commercial airplane (actually considered as a 'beyond design basis' event) into a near surface radioactive waste (RWs) disposal facility. The safety evaluation was carried out according to the International safety and design guidelines and in agreement with the stress tests requirements for the security track. To achieve the purpose, a lay out and a scheme of a possible near surface repository, like for example those of the El Cabril one, were taken into account. In order to preliminarily perform a reliable analysis of such a large-scale structure and to determine the structural effects induced by such a types of impulsive loads, a realistic, but still operable, numerical model with suitable materials characteristics was implemented by means of FEM codes. In the carried out structural analyses, the RWs repository was considered a 'robust' target, due to its thicker walls and main constitutive materials (steel and reinforced concrete). In addition to adequately represent the dynamic response of repository under crashing, relevant physical phenomena (i.e. penetration, spalling, etc.) were simulated and analysed. The preliminary assessment of the effects induced by the dynamic/impulsive loads allowed generally to verify the residual strength capability of the repository considered. The obtained preliminary results highlighted a remarkable potential to withstand the impact of military/large commercial aircraft, even in presence of ongoing concrete progressive failure (some penetration and spalling of the concrete wall) of the impacted area. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

A 12 GHZ 50 MW Klystron for Support of Accelerator Research

A 12 GHz 50MW X-band klystron is under development at the SLAC National Accelerator Laboratory Klystron Department. The klystron will be fabricated to support programs currently underway at three European Labs; CERN, PSI, and INFN Trieste. The choice of frequency selection was due to the CLIC RF frequency changing from 30 GHz to the European X-band frequency of 11.99 GHz in 2008. Since the Klystron Department currently builds 50MW klystrons at 11.424 GHz known collectively as the XL4 klystrons, it was deemed cost-effective to utilize many XL4 components by leaving the gun, electron beam transport, solenoid magnet and collector unchanged. To realize the rf parameters required, the rf cavities and rf output hardware were necessarily altered. Some improvements to the rf design have been made to reduce operating gradients and increase reliability. Changes in the multi-cell output structure, waveguide components, and the window will be discussed along with testing of the devices. Five klystrons known as XL5 klystrons are scheduled for production over the next two years.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Electronic Structure of Optimally Doped Pnictide Ba0.6K0.4Fe2As2: A Comprehensive Angle-resolved Photoemission Spectroscopy Investigation

The electronic structure of the Fe-based superconductor Ba{sub 0.6}K{sub 0.4}Fe{sub 2}As{sub 2} is studied by means of angle-resolved photoemission. We identify dispersive bands crossing the Fermi level forming hole-like (electron-like) Fermi surfaces (FSs) around {Lambda} (M) with nearly nested FS pockets connected by the antiferromagnetic wavevector. Compared to band structure calculation findings, the overall bandwidth is reduced by a factor of 2 and the low energy dispersions display even stronger mass renormalization. Using an effective tight banding model, we fitted the band structure and the FSs to obtain band parameters reliable for theoretical modeling and calculation of physical quantities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Integrated Predictive Tools for Customizing Microstructure and Material Properties of Additively Manufactured Aerospace Components

Additive Manufacturing (AM) refers to a process by which digital three-dimensional (3-D) design data is converted to build up a component by depositing material layer-by-layer. United Technologies Corporation (UTC) is currently involved in fabrication and certification of several AM aerospace structural components made from aerospace materials. This is accomplished by using optimized process parameters determined through numerous design-of-experiments (DOE)-based studies. Certification of these components is broadly recognized as a significant challenge, with long lead times, very expensive new product development cycles and very high energy consumption. Because of these challenges, United Technologies Research Center (UTRC), together with UTC business units have been developing and validating an advanced physics-based process model. The specific goal is to develop a physics-based framework of an AM process and reliably predict fatigue properties of built-up structures as based on detailed solidification microstructures. Microstructures are predicted using process control parameters including energy source power, scan velocity, deposition pattern, and powder properties. The multi-scale multi-physics model requires solution and coupling of governing physics that will allow prediction of the thermal field and enable solution at the microstructural scale. The state-of-the-art approach to solve these problems requires a huge computational framework and this kind of resource is only available within academia and national laboratories. The project utilized the parallel phase-fields codes at Oak Ridge National Laboratory (ORNL) and Lawrence Livermore National Laboratory (LLNL), along with the high-performance computing (HPC) capabilities existing at the two labs to demonstrate the simulation of multiple dendrite growth in threedimensions (3-D). The LLNL code AMPE was used to implement the UTRC phase field model that was previously developed for a model binary alloy, and the simulation results were compared against the UTRC simulation results, followed by extension of the UTRC model to simulate multiple dendrite growth in 3-D. The ORNL MEUMAPPS code was used to simulate dendritic growth in a model ternary alloy with the same equilibrium solidification range as the Ni-base alloy 718 using realistic model parameters, including thermodynamic integration with a Calphad based model for the ternary alloy. Implementation of the UTRC model in AMPE met with several numerical and parametric issues that were resolved and good comparison between the simulation results obtained by the two codes was demonstrated for two dimensional (2-D) dendrites. 3-D dendrite growth was then demonstrated with the AMPE code using nondimensional parameters obtained in 2-D simulations. Multiple dendrite growth in 2-D and 3-D were demonstrated using ORNL’s MEUMAPPS code using simple thermal boundary conditions. MEUMAPPS was then modified to incorporate the complex, time-dependent thermal boundary conditions obtained by UTRC’s thermal modeling of single track AM experiments to drive the phase field simulations. The results were in good agreement with UTRC’s experimental measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2013

On-Ramp Wireless: Program Final Report

The objective of the project was to develop and demonstrate a centrally managed, wide area wireless distribution grid sensor and faulted circuit indicator system capable of monitoring underground and other hard-to-reach distribution circuits while delivering the reliability, ease of installation, security, battery life and low cost structure required to be a commercially viable product for the electric utility industry. This integrated wireless grid monitoring system enables utilities across the United States to enhance the reliability of their distribution grids, improve performance metrics (i.e., SAIFI, CAIDI, SAIDI), support dynamic load management and predictive maintenance, and enable future remote monitoring applications necessary to achieve the goals of the Smart Grid. This project scope included: conceptual design; trade studies focused on maximizing ease of installation, sensing capabilities, power budget analysis to reduce maintenance costs and time to replace; sensor product development; and field technology demonstration. The trade studies included Radio Frequency (RF) propagation. The RF Trade Study was completed for the 2.4 GHz ISM-band and not extended to 1 GHz band due to availability of suitable radio solutions and associated impacts to overall commercial value of the solution. The technology demonstrations/field trials were performed in partnership with Southern California Edison and San Diego Gas and Electric. The sensing systems included fault indicator and wireless analog sensor devices from Schweitzer Engineering Labs (SEL) and smart transformer monitoring devices from Gridsense. Both SEL and Gridsense worked with ORW during this project to During the demonstration phase, sensors were deployed in multiple locations. Resulting data was analyzed for the following: RF performance, communication systems reliability, sensor system capabilities, and system level analytics relative to the commercial value to the smart grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2013

Nuclear Power Plant Concrete Structures

A nuclear power plant (NPP) involves complex engineering structures that are significant items of the structures, systems and components (SSC) important to the safe and reliable operation of the NPP. Concrete is the commonly used civil engineering construction material in the nuclear industry because of a number of advantageous properties. The NPP concrete structures underwent a great degree of evolution, since the commissioning of first NPP in early 1960. The increasing concern with time related to safety of the public and environment, and degradation of concrete structures due to ageing related phenomena are the driving forces for such evolution. The concrete technology underwent rapid development with the advent of chemical admixtures of plasticizer/super plasticizer category as well as viscosity modifiers and mineral admixtures like fly ash and silica fume. Application of high performance concrete (HPC) developed with chemical and mineral admixtures has been witnessed in the construction of NPP structures. Along with the beneficial effect, the use of admixtures in concrete has posed a number of challenges as well in design and construction. This along with the prospect of continuing operation beyond design life, especially after 60 years, the impact of extreme natural events ( as in the case of Fukushima NPP accident) and human induced events (e.g. commercial aircraft crash like the event of September 11th 2001) has led to further development in the area of NPP concrete structures. The present paper aims at providing an account of evolution of NPP concrete structures in last two decades by summarizing the development in the areas of concrete technology, design methodology and construction techniques, maintenance and ageing management of concrete structures.

aging management↗
DOE OSTI2016

Multiple-stage structure transformation of organic-inorganic hybrid perovskite CH 3 NH 3 PbI 3

In this study, by performing spatially resolved Raman and photoluminescence spectroscopy with varying excitation wavelength, density, and data acquisition parameters, we achieve a unified understanding towards the spectroscopy signatures of the organic-inorganic hybrid perovskite, transforming from the pristine state (CH 3 NH 3 PbI 3 ) to the fully degraded state (i.e., PbI 2 ) for samples with varying crystalline domain size from mesoscopic scale (approximately 100 nm) to macroscopic size (centimeters), synthesized by three different techniques. We show that the hybrid perovskite exhibits multiple stages of structure transformation occurring either spontaneously or under light illumination, with exceptionally high sensitivity to the illumination conditions (e.g., power, illumination time, and interruption pattern). We highlight four transformation stages (stages I-IV, with stage I being the pristine state) along either the spontaneous or photoinduced degradation path exhibiting distinctly different Raman spectroscopy features at each stage, and point out that previously reported Raman spectra in the literature reflect highly degraded structures of either stage III or stage IV. Additional characteristic optical features of partially degraded materials under the joint action of spontaneous and photodegradation are also given. This study offers reliable benchmark results for understanding the intrinsic material properties and structure transformation of this unique category of hybrid materials, and the findings are pertinently important to a wide range of potential applications where the hybrid material is expected to function in greatly different environment and light-matter interaction conditions.

14 SOLAR ENERGY↗
DOE OSTI2013

RISE/FALL TIME ENHANCEMENT OF THE SPALLATION NEUTRON SOURCE LINAC LEBT CHOPPER SYSTEM

The Spallation Neutron Source (SNS) Linac Low Energy Beam Transport (LEBT) chopper system provides fast chopping of the H- ion beam in the LEBT structure. Four identical pulsed power supplies (pulsers) create a series of 2.5 kV pulses to the four deflection electrodes floating on the focusing voltage of -50 kV. Each pulser is connected to the electrode through the network which consists of high voltage (HV) cables, a blocking capacitor, HV feed-through connectors, current-limiting resistors and transient voltage suppressors. Effective beam chopping requires minimal rise/fall time of the rectangular HV pulses on the load. In the present configuration these values are approximately 100 ns. Methods of reducing rise/fall time on the LEBT electrodes are discussed. Results of simulation and comparative measurements of the original and upgraded system on the test stand are presented. Furthermore, the effect of these changes on reliability degradation caused by arcing in the LEBT structure is discussed.

LEBT chopper↗