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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

HIGH-RESOLUTION SIMULATIONS OF THE REIONIZATION OF AN ISOLATED MILKY WAY-M31 GALAXY PAIR

We present the results of a set of numerical simulations aimed at studying reionization at the galactic scale. We use a high-resolution realization of the formation of the Milky Way (MW)-M31 system to simulate the reionization of the Local Group. The reionization calculation was performed with the post-processing radiative transfer code ATON and the underlying cosmological simulation was performed as part of the CLUES project (http://www.clues-project.org). We vary the source models to bracket the range of source properties used in the literature. We investigate the structure and propagation of the galactic ionization fronts by a visual examination of our reionization maps. Within the progenitors, we find that reionization is patchy and proceeds locally inside-out. The process becomes patchier with decreasing source photon output. It is generally dominated by one major H II region and one to four additional isolated smaller bubbles, which eventually overlap. Higher emissivity results in faster and earlier local reionization. In all models, the reionization of the MW and M31 are similar in duration, i.e., between 203 Myr and 22 Myr depending on the source model, placing their z{sub reion} between 8.4 and 13.7. In all models except the most extreme, the MW and M31 progenitors reionize internally, ignoring each other despite being relatively close to each other, even during the epoch of reionization. Only in the case of strong supernova feedback suppressing star formation in halos less massive than 10{sup 9} M{sub ☉}, and using our highest emissivity, do we find that the MW is reionized by M31.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Critical Impact of Graphene Functionalization for Transition Metal Oxide/Graphene Hybrids on Oxygen Reduction Reaction

Transition metal oxides (TMOs) anchored on a carbon nanostructure have been widely pursued for oxygen reduction reaction (ORR) catalysis. The high ORR activity of TMO/graphene has been often attributed to the synergistic nature between TMO and carbon but with little relevant mechanistic study. In this report, the focus is made on how the type of majority oxygen-containing functional group of graphene affects the ORR performance of the resulting TMO/graphene nanocomposites. Our TiO 2 /carboxylated graphene and ZrO 2 /hydroxylated graphene rendered an ORR activity very close to that of Pt/C with an equal mass loading, via a four-electron transfer dominant process unlike other TMO/graphene variants of study. It is revealed that a stable anchoring of nanoparticles (NPs) on the graphene surface, which is essential to prevent the restacking of graphene layers, is established only through a specific type of functional groups on the graphene. In addition, the interplay among TMOs, graphene, and functional groups is found to be deterministic in the activity and electron transfer pathway of ORR, which is supported by density function theory (DFT) calculations. Finally, the calculations indicate that the electron transfer pathway is dependent upon the structure of NPs interfacing with functional groups of the graphene as it affects the preferred sites for oxygen dissociation.

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

Solar Irradiation Induced Transformation of Ferrihydrite in the Presence of Aqueous Fe 2+

Ferrihydrite commonly occurs in soils and sediments, especially in acid mine drainage (AMD). Solar irradiation may affect Fe(II)-catalyzed transformation of metastable ferrihydrite to more stable iron oxides on AMD surface. We investigated the Fe(II)-catalyzed transformation process and mechanism of ferrihydrite under light irradiation. In nitrogen atmosphere, Fe 2+ aq could be oxidized to goethite and lepidocrocite by hydroxyl radical (OH • ), superoxide radical (O 2 •– ) and hole (h vb + ) generated from ferrihydrite under ultraviolet (UV) irradiation (300–400 nm) at pH 6.0, and O 2 •– and h vb + were mainly responsible for Fe 2+ aq oxidation. In addition, the ligand-to-metal charge-transfer (LMCT) process between Fe(II) and ferrihydrite could be promoted by UV irradiation. Goethite proportion increased with increasing Fe 2+ aq concentration. Both visible (vis) and solar irradiation could also lead to the oxidation of Fe 2+ aq to goethite and lepidocrocite, and the proportion of lepidocrocite increased with increasing light intensity. Fe 2+ aq was photochemically oxidized to schwertmannite at pH 3.0 and 4.5, and the oxidation rate was higher than that under dark conditions in air. The photochemical oxidation rate of Fe 2+ aq decreased in the presence of humic acid. This study facilitates a better understanding of the formation and transformation of iron oxides in natural environments and ancient Earth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Excitation-Dependent High-Lying Excitonic Exchange via Interlayer Energy Transfer from Lower - to - Higher Bandgap 2D Material

High light absorption (~15%) and strong photoluminescence (PL) emission in monolayer (1L) transition metal dichalcogenides (TMDs) make them ideal candidates for optoelectronic device applications. Competing interlayer charge transfer (CT) and energy transfer (ET) processes control the photocarrier relaxation pathways in TMD heterostructures (HSs). In TMDs, long-distance ET can survive up to several tens of nm, unlike the CT process. Our experiment shows that an efficient ET occurs from the 1Ls WSe 2 -to-MoS 2 with an interlayer hexagonal boron nitride (hBN), due to the resonant overlapping of the high-lying excitonic states between the two TMDs, resulting in enhanced HS MoS 2 PL emission. This type of unconventional ET from the lower-to-higher optical bandgap material is not typical in the TMD HSs. With increasing temperature, the ET process becomes weaker due to the increased electron–phonon scattering, destroying the enhanced MoS 2 emission. Our work provides new insight into the long-distance ET process and its effect on the photocarrier relaxation pathways.

2D material↗
DOE OSTI2015

WE-G-BRA-08: Failure Modes and Effects Analysis (FMEA) for Gamma Knife Radiosurgery

Purpose: To perform a failure modes and effects analysis (FMEA) study for Gamma Knife (GK) radiosurgery processes at our institution based on our experience with the treatment of more than 13,000 patients. Methods: A team consisting of medical physicists, nurses, radiation oncologists, neurosurgeons at the University of Pittsburgh Medical Center and an external physicist expert was formed for the FMEA study. A process tree and a failure mode table were created for the GK procedures using the Leksell GK Perfexion and 4C units. Three scores for the probability of occurrence (O), the severity (S), and the probability of no detection (D) for failure modes were assigned to each failure mode by each professional on a scale from 1 to 10. The risk priority number (RPN) for each failure mode was then calculated (RPN = OxSxD) as the average scores from all data sets collected. Results: The established process tree for GK radiosurgery consists of 10 sub-processes and 53 steps, including a sub-process for frame placement and 11 steps that are directly related to the frame-based nature of the GK radiosurgery. Out of the 86 failure modes identified, 40 failure modes are GK specific, caused by the potential for inappropriate use of the radiosurgery head frame, the imaging fiducial boxes, the GK helmets and plugs, and the GammaPlan treatment planning system. The other 46 failure modes are associated with the registration, imaging, image transfer, contouring processes that are common for all radiation therapy techniques. The failure modes with the highest hazard scores are related to imperfect frame adaptor attachment, bad fiducial box assembly, overlooked target areas, inaccurate previous treatment information and excessive patient movement during MRI scan. Conclusion: The implementation of the FMEA approach for Gamma Knife radiosurgery enabled deeper understanding of the overall process among all professionals involved in the care of the patient and helped identify potential weaknesses in the overall process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2014

Robustness analysis of an air heating plant and control law by using polynomial chaos

This paper presents a robustness analysis of an air heating plant with a multivariable closed-loop control law by using the polynomial chaos methodology (MPC). The plant consists of a PVC tube with a fan in the air input (that forces the air through the tube) and a mass flux sensor in the output. A heating resistance warms the air as it flows inside the tube, and a thermo-couple sensor measures the air temperature. The plant has thus two inputs (the fan's rotation intensity and heat generated by the resistance, both measured in percent of the maximum value) and two outputs (air temperature and air mass flux, also in percent of the maximal value). The mathematical model is obtained by System Identification techniques. The mass flux sensor, which is nonlinear, is linearized and the delays in the transfer functions are properly approximated by non-minimum phase transfer functions. The resulting model is transformed to a state-space model, which is used for control design purposes. The multivariable robust control design techniques used is the LQG/LTR, and the controllers are validated in simulation software and in the real plant. Finally, the MPC is applied by considering some of the system's parameters as random variables (one at a time, and the system's stochastic differential equations are solved by expanding the solution (a stochastic process) in an orthogonal basis of polynomial functions of the basic random variables. This method transforms the stochastic equations in a set of deterministic differential equations, which can be solved by traditional numerical methods (That is the MPC). Statistical data for the system (like expected values and variances) are then calculated. The effects of randomness in the parameters are evaluated in the open-loop and closed-loop pole's positions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Color Change Upconversion Mechanism of Y{sub 6}O{sub 5}F{sub 8}: Er{sup 3+}/Yb{sup 3+} Microtubes by Using Time-Resolve Spectra

The mechanism of the upconversion processes in Y{sub 6}O{sub 5}F{sub 8}: 2%Er{sup 3+}/X%Yb{sup 3+} (X = 3, 10, 20) microtubes has been explored. The luminescent properties of the as prepared sample is investigated by utilizing up- /downconversion, decay and time resolve spectra. The results indicate that the red and green emission are clearly competitive depending on the Yb{sup 3+} concentration. High Yb{sup 3+} concentration induces the enhancement of the energy-back-transfer (EBT), process, which leads to the quenching of green emission and enhances the red emission. So it is possible to utilize the temporal evolutions of emission bands to deeply understand the color change UC mechanisms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Controlling Proton-Coupled Electron Transfer in Bioinspired Artificial Photosynthetic Relays

Bioinspired constructs consisting of benzimi- dazole-phenol moieties bearing N-phenylimines as proton-accepting substituents have been designed to mimic the H-bond network associated with the TyrZ-His190 redox relay in photosystem II. These compounds provide a platform to theoretically and experimentally explore and expand proton-coupled electron transfer (PCET) processes. The models feature H-bonds between the phenol and the nitrogen at the 3-position of the benzimidazole and between the 1H-benzimidazole proton and the imine nitrogen. Protonation of the benzimidazole and the imine can be unambiguously detected by infrared spectroelectrochemistry (IRSEC) upon oxidation of the phenol. DFT calculations and IRSEC results demonstrate that with sufficiently strong electron-donating groups at the para-position of the N-phenylimine group (e.g., -OCH3 substitution), proton transfer to the imine is exergonic upon phenol oxidation, leading to a one-electron, two-proton (E2PT) product with the imidazole acting as a proton relay. When transfer of the second proton is not sufficiently exergonic (e.g., -CN substitution), a one-electron, one-proton transfer (EPT) product is dominant. Thus, the extent of proton translocation along the H-bond network, either ~1.6 Å or ~6.4 Å, can be controlled through imine substitution. Moreover, the H-bond strength between the benzimidazole NH and the imine nitrogen, which is a function of their relative pKa values, and the redox potential of the phenoxyl radical/phenol couple are linearly correlated with the Hammett constants of the substituents. In all cases, a high potential (~1 V vs SCE) is observed for the phenoxyl radical/phenol couple. Designing and tuning redox-coupled proton wires is important for understanding bioenergetics and developing novel artificial photosynthetic systems.

Odella, Emmanuel↗
DOE OSTI2021

A stochastic scan strategy for grain structure control in complex geometries using electron beam powder bed fusion

Spatial control of microstructure within a three-dimensional component has been a dream of materials scientists for centuries. However, limitations in traditional manufacturing processes prevent detailed control over the distribution of microstructures in a single part. Here, we demonstrate the ability to control grain structure and crystallographic texture during metal additive manufacturing for arbitrary cross-sections of a practical size, with profound implications for the design and optimization of next-generation products. The key to this advance is a new geometry agnostic scan path algorithm that manipulates the spatial distribution of solidification conditions. Utilizing a fundamental understanding of solidification dynamics and a model of the heat transfer during processing, we have designed this algorithm to manipulate the natural competition between epitaxial dendrite growth and grain nucleation. With this algorithm, we successfully controlled the grain structure of Ni-based superalloy IN718 in the shape of the Mona Lisa.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Dry etching of epitaxial InGaAs/InAlAs/InAlGaAs structures for fabrication of photonic integrated circuits

A dry etching process to transfer the pattern of a photonic integrated circuit design for high-speed laser communications is described. The laser stack under consideration is a 3.2-µm-thick InGaAs/InAlAs/InAlGaAs epitaxial structure grown by molecular beam epitaxy. The etching was performed using Cl2-based inductively-coupled-plasma and reactive-ion-etching (ICP-RIE) reactors. Four different recipes are presented in two similar ICP-RIE reactors, with special attention paid to the etched features formed with various hard mask compositions, in-situ passivations, and process temperatures. The results indicate that it is possible to produce high-aspect-ratio features with sub-micron separation on this multilayer structure. Additionally, the results of the etching highlight the tradeoffs involved with the corresponding recipes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2021

Sensing the Ocean Biological Carbon Pump from Space: A Review of Capabilities, Concepts, Research Gaps and Future Developments

The element carbon plays a central role in climate and life on Earth. It is capable of moving among the geosphere, cryosphere, atmosphere, biosphere and hydrosphere. This flow of carbon is referred to as the Earth's carbon cycle. It is also intimately linked to the cycling of other elements and compounds. The ocean plays a fundamental role in Earth's carbon cycle, helping to regulate atmospheric CO2 concentration. The ocean biological carbon pump (OBCP), defined as a set of processes that transfer organic carbon from the surface to the deep ocean, is at the heart of the ocean carbon cycle. Monitoring the OBCP is critical to understanding how the Earth's carbon cycle is changing. At present, satellite remote sensing is the only tool available for viewing the entire surface ocean at high temporal and spatial scales. In this paper, we review methods for monitoring the OBCP with a focus on satellites. We begin by providing an overview of the OBCP, defining and describing the pools of carbon in the ocean, and the processes controlling fluxes of carbon between the pools, from the surface to the deep ocean, and among ocean, land and atmosphere. We then examine how field measurements, from ship and autonomous platforms, complement satellite observations, provide validation points for satellite products and lead to a more complete view of the OBCP than would be possible from satellite observations alone. A thorough analysis is then provided on methods used for monitoring the OBCP from satellite platforms, covering current capabilities, concepts and gaps, and the requirement for uncertainties in satellite products. We finish by discussing the potential for producing a satellite-based carbon budget for the oceans, the advantages of integrating satellite-based observations with ecosystem models and field measurements, and future opportunities in space, all with a view towards bringing satellite observations into the limelight of ocean carbon research.

Robert J. W. Brewin↗
DOE OSTI2018

Geometry-Induced Spatial Variation of Microstructure Evolution During Selective Electron Beam Melting of Rene-N5

High gamma prime (γ') nickel-based alloys produced by selective electron beam melting are of interest to the turbine industry which requires control of microstructure in relation to loading conditions within complex component geometry. Welding literature predicts cracking and microstructure evolution as a function of alloy composition and process parameters in this class of alloys. In addition, Additive manufacturing causes variations in the above conditions due to the interaction of geometry on processing and heat transfer. The influence of geometry on processing conditions was explored for alloy Rene N5 by characterizing the solidification grain microstructure and solid-state precipitation. A Semi-Analytical Heat Transfer Model was employed to explain the resulting variation in solidification grain morphology that occurred due to the part geometry. Finally, the as-built precipitation structure was found to vary as a function of build height and had no correlation to the solidification grain structure or the layer geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Contribution of Eu ions on the precipitation of silver nanoparticles in Ag-Eu co-doped borate glasses

Graphical abstract: - Highlights: • Silver nanoparticles are precipitated from the borate glasses during the melting process without any further heat treatment. • The reduction of Eu{sup 3+} ions to Eu{sup 2+} ions is presented in this material. • The intensity of Ag{sup +} luminescence. • The introduction of Eu ions accelerated the reaction between Eu{sup 2+} ions and silver ions inducing the silver clusters formation. - Abstract: Ag{sup +} doped sodium borate glasses with different Eu ions concentration were prepared by the melt-quenching method. The absorption at about 410 nm which was caused by the surface plasmon resonance (SPR) of Ag nanoparticles (NPs) is promoted with increasing of Eu ions concentration. Meanwhile, the luminescent spectra showed that the emission intensity of Ag{sup +} decreased while that of the Ag aggregates increased simultaneously. The results indicated that the Ag ions intend to form the high-polymeric state such as Ag aggregates and nanoparticles with increasing of europium ions. Owing to the self-reduction of Eu{sup 3+} to Eu{sup 2+} in our glass system, it revealed that Ag{sup +} has been reduced by the neighboring Eu{sup 2+} which leads to the formation of Ag aggregates and the precipitation of Ag NPs in the matrix. In addition, energy transfer (ET) process from Ag{sup +}/Ag aggregates to the Eu{sup 3+} was investigated for the enhancement of Eu{sup 3+} luminescence.

36 MATERIALS SCIENCE↗
DOE OSTI2016

WTP Modifications to Support DFLAW: LAW, BOF, Lab - 16219

The Hanford Tank Waste Treatment and Immobilization Plant (WTP) is a one-of-a-kind nuclear waste treatment facility being designed and constructed for the U.S. Department of Energy by Bechtel National, Inc. and principal subcontractor URS to process and vitrify radioactive waste stored in underground tanks at the Hanford Site. The Tank Operations Contractor, Washington River Protection Solutions, has responsibility to retrieve, stage, pretreat, and deliver the tank waste feed to WTP. To treat tank waste as soon as practicable, a scenario is being considered to deliver pretreated feed straight to WTP's Low-Activity Waste (LAW) Vitrification Facility. This scenario is called the Direct Feed LAW (DFLAW) program. Balance of Facility utility and system facilities are designed for full WTP operation. Thirteen of these are needed to support reduced throughput during DFLAW operation, of which eight require moderate to extensive changes. Extensive changes include permanent plant modifications that allow DFLAW to operate if the Pretreatment (PT) Facility is unavailable. Under full WTP operation, effluents from the LAW Facility will be returned to the PT Facility for further processing and/or transfer to the Liquid Effluent Retention Facility/Effluent Treatment Facility. The PT Facility also handles all flush water from the tank farm transfers. To address these requirements, a Value Improvement Project was performed. The recommended approach is to provide a 'split stream' Effluent Management Facility (EMF) with an evaporator to support DFLAW. The required modifications for DFLAW facilities are discussed in this paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Extended-Charge-Transfer Excitons in Crystalline Supramolecular Photocatalytic Scaffolds

Coupling among chromophores in molecular assemblies is responsible for phenomena such as resonant energy transfer and intermolecular charge transfer. These processes are central to the fields of organic photovoltaics and photocatalysis, where it is necessary to funnel energy or charge to specific regions within the system. As such, a fundamental understanding of these transport processes is essential for developing new materials for photovoltaic and photocatalytic applications. Recently, photocatalytic systems based on photosensitizing perylene monomimide (PMI) chromophore amphiphiles were found to show variation in hydrogen gas (H 2 ) production as a function of nanostructure crystallinity. The 2D crystalline systems form in aqueous electrolyte solution, which provides a high dielectric environment where the Coulomb potential between charges is mitigated. This results in relatively weakly bound excitons that are ideal for reducing protons. Furthermore, in order to understand how variations in crystalline structure affect H 2 generation, two representative PMI systems are investigated theoretically using a modified Holstein Hamiltonian. The Hamiltonian includes both molecular Frenkel excitations (FE) and charge-transfer excitations (CTE) coupled nonadiabatically to local intramolecular vibrations. Signatures of FE/CTE mixing and the extent of electron/hole separation are identified in the optical absorption spectrum and are found to correlate strongly to the observed H 2 production rates. The absorption spectral signatures are found to sensitively depend on the relative phase between the electron and hole transfer integrals, as well as the diabatic energy difference between the Frenkel and CT exciton bands. Our analysis provides design rules for artificial photosynthetic systems based on organic chromophore arrays.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Numerical and experimental analysis of mechanically induced failure in electric vehicle battery modules

Mitigating thermal runaway and cell-to-cell propagation is essential for improving the safety of electric and hybrid vehicles. Enhancing digital twin capabilities to predict battery mechanical abuse is particularly critical for automotive and aerospace applications, where crashworthiness is a key concern. Understanding failure conditions and propagation in battery modules during mechanical abuse is complex due to interactions between structural deformation, heat transfer, electrochemical processes, exothermic reactions and mechanical fracture. While prior studies have focused on modeling cell-level behavior, extending these models to module or pack level is necessary for a system level understating of electric vehicle safety. This study develops coupled large deformation finite element models that simultaneously solve for electrochemistry, material failure, internal short circuit and thermal runaway propagation. The models account for mechanical and thermal interactions between lithium-ion cells and other battery components while the contact interfaces are evolving with time. Model-predicted voltage, temperature and force responses are compared with experimental data for validation. The results demonstrate that the approach captures key failure mechanisms, including thermal propagation through heat transfer, electrical propagation from short circuits in parallel-connected cells, and mechanical propagation via penetration and crack formation. These findings show that computational models are valuable tools for understanding battery module failure and providing insight that can reduce the need for extensive experimental testing.

25 ENERGY STORAGE↗
DOE OSTI2017

Manufacturing a 9-Meter Thermoplastic Composite Wind Turbine Blade: Preprint

Currently, wind turbine blades are manufactured from a combination of glass and/or carbon fiber composite materials with a thermoset resin such as epoxy, which requires energy-intensive and expensive heating processes to cure. Newly developed in-situ polymerizing thermoplastic resin systems for composite wind turbine blades polymerize at room temperature, eliminating the heating process and significantly reducing the blade manufacturing cycle time and embodied energy, which in turn reduces costs. Thermoplastic materials can also be thermally welded, eliminating the need for adhesive bonds between blade components and increasing the overall strength and reliability of the blades. As well, thermoplastic materials enable end-of-life blade recycling by reheating and decomposing the materials, which is a limitation of existing blade technology. This paper presents a manufacturing demonstration for a 9-m-long thermoplastic composite wind turbine blade. This blade was constructed in the Composites Manufacturing Education and Technology facility at the National Wind Technology Center at the National Renewable Energy Laboratory (NREL) using a vacuum-assisted resin transfer molding process. Johns Manville fiberglass and an Arkema thermoplastic resin called Elium were used. Additional materials included Armacell-recycled polyethylene terephthalate foam from Creative Foam and low-cost carbon- fiber pultruded spar caps (manufactured in collaboration with NREL, Oak Ridge National Laboratory, Huntsman, Strongwell, and Chomarat). This paper highlights the development of the thermoplastic resin formulations, including an additive designed to control the peak exothermic temperatures. Infusion and cure times of less than 3 hours are also demonstrated, highlighting the efficiency and energy savings associated with manufacturing thermoplastic composite blades.

17 WIND ENERGY↗