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At least 127 records · Page 7

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NASA NTRSDate not supplied

Solid-State Exergy Optimized Electric Aircraft Thermal and Fault Management

Future air vehicles will increasingly incorporate electrical powertrains that require very tight system level integration of power, propulsion, thermal, fault protection, and airframe technologies. This paper provides an overview of a new category of thermal energy conversion technology that can be used to enable a fully solid-state integrated thermal and fault management electric aircraft protection system, while synergistically managing and recycling both the low-grade waste heat from electrical components and the high-grade waste heat from engine components. This is achieved with exergy amplification of the powertrain waste-heat, a new class of fast flight-weight breakers, new class of long variable conductance heat pipe with multiple switchable condensers, new class of turbofan integrated heat exchangers and a gradient-based powertrain system optimizer.

safety↗

NASA NTRS2005

Apperception of Clouds in AIRS Data

Our capacity to simulate the radiative characteristics of the Earth system has advanced greatly over the past decade. However, new space based measurements show that idealized simulations might not adequately represent the complexity of nature. For example, AIRS simulated multi-layer cloud clearing research provides an excellent groundwork for early Atmospheric Infra-Red Sounder (AIRS) operational cloud clearing and atmospheric profile retrieval. However, it doesn't reflect the complicated reality of clouds over land and coastal areas. Thus far, operational AIRS/AMSU (Advanced Microwave Sounding Unit) cloud clearing is not only of low yield but also of unsatisfying quality. This is not an argument for avoiding this challenging task, rather a powerful argument for exploring other synergistic approaches, and for adapting these strategies toward improving both indirect and direct use of cloudy infrared sounding data. Ample evidence is shown in this paper that the indirect use of cloudy sounding data by way of cloud clearing is sub-optimal for data assimilation. Improvements are needed in quality control, retrieval yield, and overall cloud clearing retrieval performance. For example, cloud clearing over land, especially over the desert surface, has led to much degraded retrieval quality and often a very low yield of quality controlled cloud cleared radiances. If these indirect cloud cleared radiances are instead to be directly assimilated into NWP models, great caution must be used. Our limited and preliminary cloud clearing results from AIRS/AMSU (with the use of MODIS data) and an AIRS/MODIS synergistic approach have, however, shown that higher spatial resolution multispectral imagery data can provide much needed quality control of the AIRS/AMSU cloud clearing retrieval. When AIRS and Moderate Resolution Imaging Spectroradiometer (MODIS) are used synergistically, a higher spatial resolution over difficult terrain (especially desert areas) can be achieved and with a much improved accuracy. Preliminary statistical analyses of cloud cleared radiances derived from (1) operational AIRS/AMSU, (2) operational AIRS/AMSU plus the use of MODIS data as quality control, and (3) AIRS/MODIS synergistic single channel and two field of views cloud clearing are Our capacity to simulate the radiative characteristics of the Earth system has

Huang, Hung-Lung↗

DOE OSTI2023

Pulsed Light Synthesis of High Entropy Nanocatalysts with Enhanced Catalytic Activity and Prolonged Stability for Oxygen Evolution Reaction

The ability to synthesize compositionally complex nanostructures rapidly is a key to high-throughput functional materials discovery. In addition to being time-consuming, a majority of conventional materials synthesis processes closely follow thermodynamics equilibria, which limit the discovery of new classes of metastable phases such as high entropy oxides (HEO). Herein, a photonic flash synthesis of HEO nanoparticles at timescales of milliseconds is demonstrated. By leveraging the abrupt heating and cooling cycles induced by a high-power-density xenon pulsed light, mixed transition metal salt precursors undergo rapid chemical transformations. Hence, nanoparticles form within milliseconds with a strong affinity to bind to the carbon substrate. Oxygen evolution reaction (OER) activity measurements of the synthesized nanoparticles demonstrate two orders of magnitude prolonged stability at high current densities, without noticeable decay in performance, compared to commercial IrO 2 catalyst. This superior catalytic activity originates from the synergistic effect of different alloying elements mixed at a high entropic state. It is found that Cr addition influences surface activity the most by promoting higher oxidation states, favoring optimal interaction with OER intermediates. The proposed high-throughput method opens new pathways toward developing next-generation functional materials for various electronics, sensing, and environmental applications, in addition to renewable energy conversion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Materials flight experiment carrier capability and future flight experiments on Hitchhiker-M carrier program

The CMSS has designed, fabricated, and qualified a unique Materials FLight EXperiment (MFLEX) carrier. The MFLEX is a reusable materials experiment carrier designed to support a wide array of sensors that measure synergistic effects on candidate space materials in Low Earth Orbit (LEO). The MFLEX can be integrated on a variety of launch vehicles/carriers and multiple units can be networked to optimize the surface area of carriers such as the Hitchhiker-M currently being built by the Goddard Space Flight Center (GSFC).

Davis, D.↗

NASA NTRS2021

Supersonic Transport Optimization to Mach 4

Commercially viable supersonic transports require solution spaces to a longish list of serious issues including high drag, heating, emissions, costs, weights, acoustics, etc. Report addresses potential approaches to these issues including drag reduction, flow control, propulsion/ fuels/energetics, and synergistic frontier aircraft configurations across the board proffering large increases in lift to drag ratio.

Dennis M Bushnell↗

DOE OSTI2021

Artificial Intelligence for Autonomous Molecular Design: A Perspective

Domain-aware artificial intelligence has been increasingly adopted in recent years to expedite molecular design in various applications, including drug design and discovery. Recent advances in areas such as physics-informed machine learning and reasoning, software engineering, high-end hardware development, and computing infrastructures are providing opportunities to build scalable and explainable AI molecular discovery systems. This could improve a design hypothesis through feedback analysis, data integration that can provide a basis for the introduction of end-to-end automation for compound discovery and optimization, and enable more intelligent searches of chemical space. Several state-of-the-art ML architectures are predominantly and independently used for predicting the properties of small molecules, their high throughput synthesis, and screening, iteratively identifying and optimizing lead therapeutic candidates. However, such deep learning and ML approaches also raise considerable conceptual, technical, scalability, and end-to-end error quantification challenges, as well as skepticism about the current AI hype to build automated tools. To this end, synergistically and intelligently using these individual components along with robust quantum physics-based molecular representation and data generation tools in a closed-loop holds enormous promise for accelerated therapeutic design to critically analyze the opportunities and challenges for their more widespread application. This article aims to identify the most recent technology and breakthrough achieved by each of the components and discusses how such autonomous AI and ML workflows can be integrated to radically accelerate the protein target or disease model-based probe design that can be iteratively validated experimentally. Taken together, this could significantly reduce the timeline for end-to-end therapeutic discovery and optimization upon the arrival of any novel zoonotic transmission event. Our article serves as a guide for medicinal, computational chemistry and biology, analytical chemistry, and the ML community to practice autonomous molecular design in precision medicine and drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Performance of hybridized bamboo-carbon fiber reinforced polypropylene composites processed using wet laid technique

The end-of-life vehicles (ELV) regulations motivate hybrid materials usage in automotive industries to optimize properties at reduced cost and increase eco-friendly designs. This research explores hybrid compositions of natural bamboo fiber and synthetic carbon fiber. The goal of hybridization was to synergistically benefit from each constituent– i.e., sustainability, energy absorption and superior damping from bamboo, and high strength and stiffness from carbon fiber. Carbon fibers (CF), bamboo fibers (BF) and polypropylene (PP) fibers were dispersed in water to produce wet-laid hybrid mats. The mats were compression molded into consolidated panels to obtain the hybrid composite(s) (BF-CF-PP). Four formulations with different fiber-resin weight percent were designed and produced including- BF-PP (30/70), BF-PP (50/50), BF-CF-PP (32/8/60), and BF-CF-PP (8/32/60). The effect of (a) fiber length, (b) surface treatment, (c) fiber content, and (d) consolidation pressure on the mechanical properties were examined. The improved mechanical (flexural strength 76.4 MPa, flexural modulus 4.1 GPa, ILSS 12.4 MPa and impact strength 49.9 KJ/m 2 ) and vibrational damping (1.05%) properties showed that the BF-CF-PP (8/32/60) provided higher properties compared to the other variants. The projected properties at various stoichiometric ratios of carbon and bamboo fiber revealed that the properties of hybrid composites could be tailored to produce desirable, cost-effective, and sustainable automotive components.

36 MATERIALS SCIENCE↗

DOE OSTI2025

From Electronic Structure to Ion Transport: Photoelectron Spectroscopy and Molecular Dynamics Simulations Reveal the Role of Anions in Lithium Battery Electrolytes

Electrolyte anions are pivotal for lithium battery performance, yet their fundamental electronic structural properties are not well understood. In this work, we employ a combination of negative-ion photoelectron spectroscopy (NIPES), ab initio calculations, and molecular dynamics (MD) simulations to investigate the electronic structures of three representative electrolyte anions. This multiscale approach enables us to elucidate how their intrinsic electronic properties govern anion–solvent interactions in gas-phase clusters, as well as lithium-ion (Li + ) solvation structures and ion transport behavior in the condensed phase. NIPES reveals that difluoro(oxalato)borate (DFOB – ), bis(fluorosulfonyl)imide (FSI – ), and bis(oxalato)borate (BOB – ) all exhibit high electron binding energies, with vertical/adiabatic detachment energies increasing from DFOB – (6.09/5.70 eV) to FSI – (6.80/6.10 eV) to BOB – (6.82/6.40 eV), correlating with enhanced oxidation stability. Ab initio calculations reveal that DFOB – /FSI – –solvent complexes bind Li + ∼ 10 kcal/mol stronger than BOB – series, aligning with the strength of a Li + –anion model. DFOB – exhibits pronounced charge localization on both oxygen and fluorine atoms, enabling their involvement in Li + coordination. In contrast, fluorine atoms in FSI – are largely electron-depleted and remain excluded from direct Li + binding. MD simulations further demonstrate that LiDFOB and LiFSI systems exhibit Li + diffusion coefficients three and five times higher than those of LiBOB across four common solvents. Notably, LiFSI salt in acetonitrile (AN) exhibits the fastest Li + diffusion among 12 electrolyte systems, highlighting the synergistic effect of FSI – and AN in promoting ion mobility. In conclusion, these findings provide a molecular-level understanding of the critical roles of anion and its microsolvation in optimizing Li + diffusion dynamics, once again emphasizing the positioning of FSI – and DFOB – as prime candidates for next-generation electrolytes.

25 ENERGY STORAGE↗

DOE OSTI2020

Synergistic effect of dual Brønsted acidic deep eutectic solvents for oxidative desulfurization of diesel fuel

Deep eutectic solvents (DESs) are generally used as attractive solvents or extractants rather than catalysts in the field of synthesis and separation. Herein, dual Brønsted acidic DESs were prepared by mixing sulfonated quaternary ammonium and oxalic acid as extractants and catalysts for deep oxidative desulfurization. Compared to the DESs with single acidic group, the dual acidic DESs exhibited much higher catalytic activity likely due to the synergistic effect. The 1 H NMR study indicated that the weak interaction between DES and sulfur compounds led to a low extraction capacity. However, the sulfur removal could reach 97.7% under optimized reaction conditions. Density functional theory (DFT) calculations demonstrated that sulfonic group and carboxylic group are of equal importance to desulfurization performance. Further, the desulfurization efficiency was also strongly affected by the viscosity of DESs. Here, we put forward a new strategy that the reaction time could be sharply shortened to 40 min and 100 min by adding low viscous acetonitrile and polyethylene glycol into DES to form mixing reaction system, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Bifunctional nanoprecipitates strengthen and ductilize a medium-entropy alloy

Single-phase high- and medium-entropy alloys with face-centred cubic (fcc) structure can exhibit high tensile ductility and excellent toughness, but their room-temperature strengths are low. Dislocation obstacles such as grain boundaries, twin boundaries, solute atoms and precipitates can increase strength. However, with few exceptions, such obstacles tend to decrease ductility. Interestingly, precipitates can also hinder phase transformations. Here, using a model, precipitate-strengthened, Fe–Ni–Al–Ti medium-entropy alloy, we demonstrate a strategy that combines these dual functions in a single alloy. The nanoprecipitates in our alloy, in addition to providing conventional strengthening of the matrix, also modulate its transformation from fcc-austenite to body-centred cubic (bcc) martensite, constraining it to remain as metastable fcc after quenching through the transformation temperature. During subsequent tensile testing, the matrix progressively transforms to bcc-martensite, enabling substantial increases in strength, work hardening and ductility. This use of nanoprecipitates exploits synergies between precipitation strengthening and transformation-induced plasticity, resulting in simultaneous enhancement of tensile strength and uniform elongation. Further, our findings demonstrate how synergistic deformation mechanisms can be deliberately activated, exactly when needed, by altering precipitate characteristics (such as size, spacing, and so on), along with the chemical driving force for phase transformation, to optimize strength and ductility.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Environmental Protection Coating System for Refractory Metal Alloys (EPCS for RMAs)

As part of ARPA-E’s Ultra High Temperature Impervious Materials Advancing Turbine Efficiency (UITIMATE) program, this project aims to develop an environmental protection coating system (EPCS) for refractory metal alloys (RMAs) – which will provide radical improvement in long term protection for ultra-high temperature refractory metal components in harsh gas-turbine environments. The drive for higher fuel efficiency and higher core power of gas turbines used in electric power generation and in aircraft propulsion requires higher peak operation temperatures. The temperature capability of state-of-the-art materials cannot meet the new requirements. Refractory metal alloys have desirable capabilities for achieving the required peak temperatures, but most of them are subject to oxidation in the gas turbine environment. Thus, there is a strong need to develop novel environmental protective coatings that enable the refractory metals to operate in an ultra-high temperature engine environment. This project is composed of four major technical innovations that can provide a potentially transformational solution in providing environmental protection for refractory metal alloys over a wide range of temperature. 1) Multi-layer self-healing environmental barrier coating (EBC) that provides protection against combustion gas environment. 2) Oxidation resistant diffusion barrier (DB) on the alloy surface to enhance coating stability. 3) Synergistic integration of the multi-layer self-healing EBC with the diffusion barrier to extend coating life. 4) Guidance of physics-based modeling to accelerate coating development and optimization. Our team has successfully developed a multi-layer self-healing environmental protection coating system (EPCS) that can provide oxidation protection for commercially available molybdenum based refractory metal alloys over a wide temperature range of up to 1600 °C for fuel-efficient gas turbine applications. The team also developed a multi-layer high temperature coating design tool to accelerate coating development and optimization based on physics-based modeling. The team also engaged RTX business unite, notable Pratt and Whitney, for future commercialization of this technology. The successful completion of this Phase I effort led to the selection of performing Phase II of the program. In Phase II, the team plans to apply the EPCS in the protection of a newly discovered molybdenum-based metal alloy which has the potential of superior high temperature properties to the commercial products. Th coating will be evaluated under test conditions and environment that mimic gas turbine operation.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

An Analytic Collaborative Framework for the Earth System Observatory

NASA's Earth System Observatory groundbreaking observations will provide critical measurements to address societal relevant problems in climate change, natural hazard mitigation, fighting forest fires, and improving real-time agricultural processes. Central to the ESO vision is the notion of Open-Source Science (OSS), a collaborative culture enabled by technology that promotes the open sharing of data, information, and knowledge aiming to facilitate and accelerate scientific understanding, and the agile development of applications for the benefit of society. The larger vision of an Earth System Digital Twin (ESDT) calls for integrated Earth science frameworks that mirror the Earth by a proxy digital construct that includes km-scale resolution Earth system models and data assimilation systems along with an integrated set of analytic tools to enable the next generation of science discoveries and evidence-based decision making. The goal of this project is to develop an Analytic Collaborative Framework for ESO missions, based on realistic, science-based observing system simulations and the Program of Record (PoR). Tying it all together is a cloud-based cyberinfrastructure that will enable each uniquely designed satellite in the Earth System Observatory to work in tandem to create a 3D, holistic view of Earth. In this presentation, we lay the technological groundwork for enabling such a vision. Our approach consists of the 3 main interconnected building blocks: 1. Cloud-optimized representative datasets for ESO missions and the PoR to serve as basis for developing and prototyping an Analytic Collaborative Framework. 2. An Algorithm Workbench for enabling experimentation and exploration of synergistic algorithms not only for instruments within a mission, but also including the PoR and other ESO missions. 3. A series of concrete Open-Source Science demonstrations including use cases that span science discovery and end-user applications with direct societal impact. While our ultimate goal is to include all of the main missions comprising the Earth System Observatory, in our initial 2 years we will focus on AOS and SBG, two missions for which specific synergisms have been identified in a recent workshop. In this presentation we will describe our approach and discuss some illustrative examples of our framework.

Arlindo da SIlva↗

NASA NTRSDate not supplied

An Analytic Collaborative Framework for the Earth System Observatory

Arlindo da SIlva↗

DOE OSTI2021

Lithium-ion battery physics and statistics-based state of health model

A pseudo-2d model using COMSOL Multiphysics® software is developed to simulate performance and performance degradation of Li-ion batteries consisting of layered and olivine cathodes with graphite anode when subjected to peak shaving grid service. Multiple degradation pathways are considered, including solid electrolyte interphase (SEI) formation and breakdown at the anode, cathode dissolution and its synergistic effect on SEI formation at the anode. The model is validated by simulating commercial cylindrical cell performance. A global model is developed to simulate performance across all chemistries, along with individual chemistry models using global model parameters as initial values. There is good agreement between these models for various optimization parameters such as SEI equilibrium potential, cathode dissolution exchange current density, solvent diffusivity in the SEI and SEI ionic conductivity. To circumvent time constraints related to the COMSOL model, a 0d global model is developed which fits data well and provides more clarity on differences in cathode dissolution exchange current density. Again, good agreement for various optimization parameters is obtained among the COMSOL global & individual chemistry models and the 0-d model. The lessons learned from the physics-based model is used to develop a top down statistics-based model using current, voltage and anode volumetric change per mole lithium intercalated, along with their interactions as degradation predictors. This model predicts out of sample degradation for multiple grid services and electric vehicle drive cycle with high accuracy and provides the pathway to develop an efficient battery management system combining machine learning and findings from physics-based computationally intensive algorithms.

Crawford, Aladsair J.↗

DOE OSTI2022

Engineering metal–metal oxide surfaces for high-performance oxygen reduction on Ag–Mn electrocatalysts

Understanding fundamental material–property relationships in mixed-element catalyst systems is crucial to advancing the viability of renewable electrochemical energy technologies, an important part of creating a more sustainable future. Herein, we report our insight on the nature and dynamics of highly active silver–manganese oxide (Ag–MnOx) catalyst surfaces for the oxygen reduction reaction (ORR) via a combined experimental–theoretical approach. Experimentally, we synthesize well-mixed Ag–Mn co-deposited thin films that are measurably flat and smooth, despite Mn surface migration and oxidation upon air exposure and electrochemical measurements. Cyclic voltammetry in 0.1 M KOH demonstrates up to 10-fold specific activity enhancements over pure Ag at 0.8 V vs. RHE for Ag-rich films (70–95% Ag in bulk). To further understand the Ag–Mn system, separate samples were synthesized with small amounts of Mn sequentially deposited onto the surface of a pure Ag thin film (Mn@Ag), ranging from partial to full surface coverage (down to 0.3 nm Mn $cm^{-2}_{geo}$ ~ 0.2 μg Mn $cm^{-2}_{geo}$). These sequentially deposited Mn@Ag films show analogous performance to their co-deposited counterparts indicating similar enhanced active sites. With density functional theory (DFT), we calculate that this enhancement arises from the tuned d-band of these material surfaces owing to the optimal hybridization of the electronic structures in specific Ag and MnO x geometries. Together, electrochemical measurements, DFT calculations, X-ray absorption spectroscopy, and valence-band X-ray photoelectron spectroscopy suggest synergistic electronic interactions between Ag and MnOx yield enhanced oxygen adsorption, and thus ORR activity, with DFT highlighting the Ag–MnO x interface sites as the most enhanced. This work demonstrates how combined experimental–theoretical methods can help design electrocatalysts with enhanced electrocatalytic properties and understand the nature of complex mixed metal–metal oxide surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

First contract: better, earlier, decisions for software projects

This paper describes an ongoing effort to address these challenges by means of a synergistic collaboration of research tools.

IV&V risk management stakeholders optimization vis↗

NASA NTRSDate not supplied

Impact of Thermochromic Coatings on Thermal Management for Human Spacecraft Applications

Thermochromic variable emittance coatings (VECs) allow for passive, dynamic thermal management of space vehicles due to their temperature dependent optical properties. Ideally, a thermochromic material should exhibit low mid-IR emissivity for lower temperatures and switch to high mid-IR emissivity for higher temperatures; one promising material that demonstrates these characteristics is Lanthanum Strontium Manganite (LSM). The transition temperatures of LSM are dependent on the Lanthanum-to-Strontium ratio x, La1-xSrxMnO3. La0.8Sr0.2MnO3, which has an emittance of 0.5 for < 270 K, then a linear increase in emittance to 0.8 over an increase of 70 K where it will saturate at ~340K, is commonly utilized but this is tunable by changing the Sr concentration. The tunability of the transition temperature range of LSM motivates a need to understand the optimal thermal transition range for human spacecraft. Additionally, LSM has high solar absorptance and to combat this issue the VEC will be micropatterned on top of a highly solar reflective layer of Barium Sulfate (BaSO4). Consequently, this work will elucidate the tradeoffs between solar absorptance and variable emittance for this technology since the micropattern adversely couples the solar absorptance to the mid-IR emittance. This work develops a computational model using Thermal Desktop to study the utility of VECs on human spacecraft, such as Orion, subjected to mission phases such as lunar transit and Gateway docking. The model considers both external heat loads, from solar irradiation and planetary IR, as well as vehicle heat loads, from avionics and crew, as an input into the body mounted thermochromic radiators. There are several design targets for VECs, i.e. achieving the largest change in emittance, finding the optimal temperature range for the transition, and achieving the highest emittance in the high temperature phase. This work prioritizes these design targets for LSM to achieve the optimal heat rejection for a human spacecraft. The VECs are compared with static emittance coatings and the efficiency gains are quantified. Thermochromic VECs will ultimately lead to simplifications of active cooling systems which synergistically correlates to mass reduction and less energy consumption for space vehicles.

Joseph Peoples↗

DOE OSTI2022

Joint Planning of Electricity Transmission and Hydrogen Transportation Networks

The abundance and uneven distribution of renewable energy might cause congestion and curtailment in electric power systems. Transmission expansions can potentially alleviate transmission congestion and reduce renewable energy curtailment. On the other hand, with the substantial cost reduction of electrolyzer technology and the continuing rise of hydrogen demand, converting surplus renewable energy to hydrogen provides synergistic benefits to power and hydrogen systems, but consequently requires joint planning of the two systems. To this end, we propose a joint planning approach for power transmission and hydrogen transportation networks to coordinately optimize the investment and operation of power and hydrogen infrastructure. In our proposed model, detailed truck routing, pipeline, and hydrogen storage are formulated to quantify the flexibility of hydrogen transportation system. A robust joint planning approach is also proposed to address various uncertainties from renewable energy, electric load, and hydrogen demand. Furthermore, our numerical simulations show that the proposed joint planning model can save the total system cost, reduce renewable energy curtailment, and increase the utilization level of transmission lines.

08 HYDROGEN↗