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At least 415 records · Page 23

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NASA NTRS1984

A comparison of the efficiency of numerical methods for integrating chemical kinetic rate equations

A comparison of the efficiency of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations is presented. The methods examined include two general-purpose codes EPISODE and LSODE and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an iterative solution of the algebraic energy conservation equation to compute the temperature can be more efficient than evaluating the temperature by integrating its time-derivative.

Radhakrishnan, K.↗

NASA NTRS2015

On-Demand Mobility (ODM) Technical Pathway: Enabling Ease of Use and Safety

On-demand mobility (ODM) through aviation refers to the ability to quickly and easily move people or equivalent cargo without delays introduced by lack of, or infrequently, scheduled service. A necessary attribute of ODM is that it be easy to use, requiring a minimum of special training, skills, or workload. Fully-autonomous vehicles would provide the ultimate in ease-of-use (EU) but are currently unproven for safety-critical applications outside of a few, situationally constrained applications (e.g. automated trains operating in segregated systems). Applied to aviation, the current and near-future state of the art of full-autonomy, may entail undesirable trade-offs such as very conservative operational margins resulting in reduced trip reliability and transportation utility. Furthermore, acceptance by potential users and regulatory authorities will be challenging without confidence in autonomous systems in developed in less critical, but still challenging applications. A question for the aviation community is how we can best develop practical ease-of-use for aircraft that are sized to carry a small number of passengers (e.g. 1-9) or equivalent cargo. Such development is unlikely to be a single event, but rather a managed, evolutionary process where responsibility and authority transitions from human to automation agents as operational experience is gained with increasingly intelligent systems. This talk presents a technology road map being developed at NASA Langley, as part of an overall strategy to foster ODM, for the development of ease-of-use for ODM aviation.

Goodrich, Ken↗

DOE OSTI2022

An integrated supply chain analysis for cobalt and rare earth elements under global electrification and constrained resources

As global electrification becomes more prominent, demand is projected to increase for electric vehicles (EVs), their components (EV batteries, rare earth traction motors), and their raw materials (cobalt, rare earths). To analyze the supply chain constraints associated with these components and raw materials, a system dynamics model was developed to simulate the interactions between the rare earth and cobalt supply chains. The results showed that under current understanding of raw material resources, production of the projected volume of EVs could be inadequate. To meet the aggressive EV volume sale projections set by the International Energy Agency, EV manufacturers will need to implement a large portion of traction motors without rare earths and utilize non-cobalt batteries as much as possible. On the supply side, a much faster ramp-up than what being modeled would be needed to meet much higher demand than current market forecasts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Facilitated Direct Liquid Fuel Cells with High Temperature Membrane Electrode Assemblies

Dimethyl ether (DME) is a liquid fuel of great potential impact due to its exceptionally high energy density. However, it has received minimal prior investigation as an alternative to either purified hydrogen or other liquid fuels, including methanol (MeOH). In the limited published literature work on direct dimethyl ether fuel cells, regardless of operating temperature, PtRu (either supported or unsupported on carbon) has been established as the standard catalyst of choice. The majority of the work in this program also utilized a Johnson Matthey (JM) HiSPEC ® 12100 PtRu/C (nominally 50% Pt, 25% Ru) while looking at electrode optimizations, beginning of life (BoL) performance, pressure- and temperature-dependent studies to look at the effect of binding affinity of DME oxidation intermediates, mass transport effects, crossover studies, and durability. However, it does also investigate some promising alternatives to PtRu/C as well, which should be investigated in more detail in further work. Those catalysts include a pair of ternary PtRuPd/C catalysts (from Los Alamos National Laboratory (LANL) and Pajarito Powder, LLC. (PP)) as well as a Pt 2 Bi Black catalyst from Professor Anastasios Angelopoulos of the University of Cincinnati (UC). This work achieved several project objectives, including an optimization of the membrane electrode assembly (MEA) process using PtRu/C anode catalyst. Additionally, these direct dimethyl ether fuel cells (DDFCs) were able to match or exceed many performance metrics for the state-of-the-art (SOA) direct methanol fuel cells (DMFCs), a primary and more evolved competitor to direct dimethyl ether fuel cells. This included peak specific power, total platinum group metal (PGM) loading, crossover current, degradation rate, start/stop cycling losses, and anode specific current.

09 BIOMASS FUELS↗

DOE OSTI2025

High-current-density electrosynthesis of formate from captured CO 2 solution by MOF-derived bismuth nanosheets

Greenhouse gas emissions present a significant challenge to humanity, and utilizing renewable electricity to convert emitted CO 2 into value-added products offers a promising solution; however, traditional CO 2 capture and regeneration processes remain energy-intensive, restricting the overall system efficiency and decarbonization efficacy. In this study, an advanced direct reduction of captured CO 2 with large current densities for formate electrosynthesis was demonstrated without the need for CO 2 regeneration or compression. The bismuth nanosheet (DRM-BiNS) was synthesized by direct reduction of a Bi-based MOF, representing a new class of catalytic materials with a large surface area and interconnected pores, suitable for the direct reduction of captured CO 2 . By seamlessly combining experimentation and simulation, insights into the structure-parameter-performance relation were acquired in a flow cell setting, including critical membrane-electrode distance, cell orientation, and pumping flow rate. Important flow-cell components, such as catholyte volume, electrode substrate, membrane choice, and ionomer type, were also carefully examined to enhance the cell performance. In sharp contrast to prior studies limited to current densities below 20 mA/cm 2 in bicarbonate-based captured CO 2 solutions, this work demonstrates a remarkable current density of 300 mA/cm 2 with an FE to formate comparable to the case with gas-fed CO 2 reduction. Moreover, the process sustained an FE above 50% at a high current density of 500 mA/cm 2 . The DRM-BiNS catalyst exhibited outstanding selectivity, activity, and stability, significantly outperforming oxide-derived bismuth nanosheets (OD-BiNS) in captured CO 2 reduction. Furthermore, these findings offer critical insights into the development of sustainable and scalable CO 2 utilization technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Utilizing digitized occurrence records of Midwestern feral Cannabis sativa to develop ecological niche models

Hemp (Cannabis sativa L.) has historically played a vital role in agriculture across the globe. Feral and wild populations have served as genetic resources for breeding, conservation, and adaptation to changing environmental conditions. However, feral populations of Cannabis, specifically in the Midwestern United States, remain poorly understood. This study aims to characterize the abiotic tolerances of these populations, estimate suitable areas, identify regions at risk of abiotic suitability change, and highlight the utility of ecological niche models (ENMs) in germplasm conservation. The Maxent algorithm was used to construct a series of ENMs. Validation metrics and MOP (Mobility-oriented Parity) analysis were used to assess extrapolation risk and model performance. We also projected the final projected under current and future climate scenarios (2021–2040 and 2061–2080) to assess how abiotic suitability changes with time. Climate change scenarios indicated an expansion of suitable habitat, with priority areas for germplasm collection in Indiana, Illinois, Kansas, Missouri, and Nebraska. This study demonstrates the application of ENMs for characterizing feral Cannabis populations and highlights their value in germplasm conservation and breeding efforts. Populations of feral C. sativa in the Midwest are of high interest, and future research should focus on utilizing tools to aid the collection of materials for the characterization of genetic diversity and adaptation to a changing climate.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Optimal Power Dispatch of DGs in Radial and Mesh AC Grids: A Hybrid Solution Methodology between the Salps Swarm Algorithm and Successive Approximation Power Flow Method

In this paper, we address the problem of the optimal power dispatch of Distributed Generators (DGs) in Alternating Current (AC) networks, better known as the Optimal Power Flow (OPF) problem. We used, as the objective function, the minimization of power losses (P loss ) associated with energy transport, which are subject to the set of constraints that compose AC networks in an environment of distributed generation. To validate the effectiveness of the proposed methodology in solving the OPF problem in any network topology, we employed one 10-node mesh test system and three radial text systems: 10, 33, and 69 nodes. In each test system, DGs were allowed to inject 20%, 40%, and 60% of the power supplied by the slack generator in the base case. To solve the OPF problem, we used a master–slave methodology that integrates the optimization method Salps Swarm Algorithm (SSA) and the load flow technique based on the Successive Approximation (SA) method. Moreover, for comparison purposes, we employed some of the algorithms reported in the specialized literature to solve the OPF problem (the continuous genetic algorithm, the particle swarm optimization algorithm, the black hole algorithm, the antlion optimization algorithm, and the Multi-Verse Optimizer algorithm), which were selected because of their excellent results in solving such problems. The results obtained by the proposed solution methodology demonstrate its superiority and convergence capacity in terms of minimization of P loss in both radial and mesh systems. It provided the best reduction in minimum P loss in short processing times and showed excellent repeatability in each test system and scenario under analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2021

Proton Spin Structure from Simultaneous Monte Carlo Global QCD Analysis

Despite the great effort and achievements made towards understanding proton spin structure in the past few decades, a complete picture is still elusive. Parton distribution functions (PDFs), which in quantum chromodynamics (QCD) encode the momentum and helicity distributions of quarks and gluons inside a proton, provide the means by which to quantify the proton structure information. Being inherently nonperturbative, PDFs have to be extracted from unpolarized and polarized lepton-hadron and hadron-hadron scattering data. In particular, experiments that measure unpolarized and polarized jet observables can provide insight into the momentum and helicity distributions of gluons, which have generally been more difficult to determine reliably than those of quarks. In the past, extraction of the spin-averaged and spin-dependent (or helicity) PDFs has been performed in separate analyses. In this thesis, we perform the first simultaneous extraction of both types of quantities from deep-inelastic scattering (DIS), Drell-Yan and single jet observables, within the Monte Carlo global QCD analysis framework developed by the Jefferson Lab Angular Momentum (JAM) Collaboration. The results from this work indicate that the gluon helicity distributions depend rather strongly on the theory assumptions on which the global analysis is based, which calls for the need of measurements with higher precision. As an application of the new simultaneous JAM analysis, we perform an impact study for future Electron-Ion Collider (EIC) data with parity-conserving and parity-violating polarization asymmetries on quark and gluon helicity distributions in the proton. The extrapolation of structure functions from the current data is studied for the first time in the context of the impact study. Theory assumptions, such as SU(2) and SU(3) flavor symmetries, are also studied to give a more thorough understanding of the impact of EIC pseudodata on proton spin structure.

Zhou, Yiyu↗

NASA NTRS1978

Review of JPL Automotive Technology Status and Projections (ATSP) project

The general objective was to make a continuing assessment of current automotive technology development programs and of the prospects for new concepts. The study embraced alternative engines, advanced powertrain components, and related energy conserving vehicle modifications which could be implemented by the end of this century. Vehicle level projections of the fuel economy and emissions potential of alternative power systems were key elements of this assessment.

Dowdy, M. W.↗

NASA NTRS1984

Improved finite difference schemes for transonic potential calculations

Engquist and Osher (1980) have introduced a finite difference scheme for solving the transonic small disturbance equation, taking into account cases in which only compression shocks are admitted. Osher et al. (1983) studied a class of schemes for the full potential equation. It is proved that these schemes satisfy a new discrete 'entropy inequality' which rules out expansion shocks. However, the conducted analysis is restricted to steady two-dimensional flows. The present investigation is concerned with the adoption of a heuristic approach. The full potential equation in conservation form is solved with the aid of a modified artificial density method, based on flux biasing. It is shown that, with the current scheme, expansion shocks are not possible.

Hafez, M.↗

NASA NTRS1991

The computation of standard solar models

Procedures for calculating standard solar models with the usual simplifying approximations of spherical symmetry, no mixing except in the surface convection zone, no mass loss or gain during the solar lifetime, and no separation of elements by diffusion are described. The standard network of nuclear reactions among the light elements is discussed including rates, energy production and abundance changes. Several of the equation of state and opacity formulations required for the basic equations of mass, momentum and energy conservation are presented. The usual mixing-length convection theory is used for these results. Numerical procedures for calculating the solar evolution, and current evolution and oscillation frequency results for the present sun by some recent authors are given.

Ulrich, Roger K.↗

NASA NTRS2021

Evaluation of SWIR Crop Residue Bands for the Landsat Next Mission

This research reports the findings of a Landsat Next expert review panel that evaluated the use of narrow shortwave infrared (SWIR) reflectance bands to measure ligno-cellulose absorption features centered near 2100 and 2300 nm, with the objective of measuring and mapping non-photosynthetic vegetation (NPV), crop residue cover, and the adoption of conservation tillage practices within agricultural landscapes. Results could also apply to detection of NPV in pasture, grazing lands, and non-agricultural settings. Currently, there are no satellite data sources that provide narrowband or hyperspectral SWIR imagery at sufficient volume to map NPV at a regional scale. The Landsat Next mission, currently under design and expected to launch in the late 2020’s, provides the opportunity for achieving increased SWIR sampling and spectral resolution with the adoption of new sensor technology. This study employed hyperspectral data collected from 916 agricultural field locations with varying fractional NPV, fractional green vegetation, and surface moisture contents. These spectra were processed to generate narrow bands with centers at 2040, 2100, 2210, 2260, and 2230 nm, at various bandwidths, that were subsequently used to derive 13 NPV spectral indices from each spectrum. For crop residues with minimal green vegetation cover, two-band indices derived from 2210 and 2260 nm bands were top performers for measuring NPV (R^(2) = 0.81, RMSE = 0.13) using bandwidths of 30 to 50 nm, and the addition of a third band at 2100 nm increased resistance to atmospheric correction residuals and improved mission continuity with Landsat 8 Operational Land Imager Band 7. For prediction of NPV over a full range of green vegetation cover, the Cellulose Absorption Index, derived from 2040, 2100, and 2210 nm bands, was top performer (R^(2) = 0.77, RMSE = 0.17), but required a narrow (≤20 nm) bandwidth at 2040 nm to avoid interference from atmospheric carbon dioxide absorption. In comparison, broadband NPV indices utilizing Landsat 8 bands centered at 1610 and 2200 nm performed poorly in measuring fractional NPV (R^(2) = 0.44), with significantly increased interference from green vegetation

Wells Dean Hively↗

DOE OSTI2022

Predictive Direct DC-Link Control for 7.2 kV Three-Port Low-Inertia Solid-State Transformer With Active Power Decoupling

Promising for applications including renewable energy and electric vehicle fast charging, a medium-voltage (MV) solid-state transformer (SST) typically has multiple modules series stacked, which requires the modules to be single phase. One critical issue of the single-phase SST is the double-line-frequency power ripple. Traditionally, large passives are used to buffer the ripple, resulting in significantly increased volume and cost. This article for the first time proposes active power decoupling (APD) for the SST and a predictive direct DC-link control method, using a current-source single-stage SST as an example. An electrolytic capacitor-less buffer port is used to absorb the ripple, which tolerates up to a 30% voltage ripple for small capacitance. The APD SST control is challenging. First, the current-source SST realizes isolation, DC link, and multiport in a single stage. Second, different from conventional SSTs or APD converters, the low-inertia DC link in this SST has a 40% switching ripple, which is difficult to stabilize. To address the control challenge, a direct DC-link control architecture and a predictive control method are proposed. Simulation and experimental results verify the proposed control method on an MV SiC modular soft-switching solid-state transformer (M-S4T) prototype. Here, the proposed APD reduces the SST volume by 53.8%. Importantly, the proposed concept is not limited to the M-S4T but is generic to other SSTs or APD converters.

14 SOLAR ENERGY↗

DOE OSTI2022

A review of water valuation metrics: Supporting sustainable water use in manufacturing

In the manufacturing sector, water has been often considered too cheap to conserve. Such thinking relies on water valuations that limit the value of water to the price paid. Using such simple methods, the share of water cost to total manufacturing cost is significantly small, <3%. As a result, conserving water and enabling technology uptake is difficult to justify economically and slow to advance, hindering progress toward sustainable water use. However, the value of water to a manufacturer is far greater than the price paid. Valuations such as the true cost of water consider the additional in-plant treatment and energy costs and have been gaining greater traction in the manufacturing sector. However, true cost alone still undervalues water by not accounting for economic and social costs related to scarcity and environmental externalities. This paper makes the case and presents a framework for valuing manufacturing water beyond the price paid and the true cost. The proposed fuller valuation of manufacturing water takes into account the internal and opportunity costs associated with the realization of water risks. The paper follows with a review of a wide range of water valuation metrics, both at the specific industry level and regional/economy-wide level. The use of various valuation metrics incorporating the relationship between the change in value with change in water use, such as marginal value of water, shadow price, and elasticity at the specific industry level, has been limited in the U.S. manufacturing sector. Further, a limited number of studies exist on data-intensive subjective evaluation techniques such as computable general equilibrium modeling and input-output modeling for regional water valuation. After reviewing water value metrics, several recent case studies from manufacturers from the literature are presented to illustrate both the promise and challenges of a fuller valuation of water as proposed here. Some large multinational corporations have moved toward assessing the value of water via supply chain sustainability initiatives, environmental profit and loss accounting, estimating risk-adjusted values of water, hydro-economic modeling, natural capital asset valuation, and developing value chain indices. This paper provides policymakers and technology developers a framework for monetizing water value beyond its true cost and current metrics. If adopted, such fuller water valuations can help make the business case for the development and deployment of cost-effective water-conserving technologies, thereby improving the sustainability of the manufacturing sector with respect to water.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Cross-reactive sarbecovirus antibodies induced by mosaic RBD nanoparticles

Broad immune responses are needed to mitigate viral evolution and escape. To induce antibodies against conserved receptor-binding domain (RBD) regions of SARS-like betacoronavirus (sarbecovirus) spike proteins that recognize SARS-CoV-2 variants of concern and zoonotic sarbecoviruses, we developed mosaic-8b RBD nanoparticles presenting eight sarbecovirus RBDs arranged randomly on a 60-mer nanoparticle. Mosaic-8b immunizations protected animals from challenges from viruses whose RBDs were matched or mismatched to those on nanoparticles. Here, we describe neutralizing mAbs isolated from mosaic-8b-immunized rabbits, some on par with Pemgarda, the only currently FDA-approved therapeutic mAb. Deep mutational scanning, in vitro selection of spike resistance mutations, and single-particle cryo-electron microscopy structures of spike–antibody complexes demonstrated targeting of conserved RBD epitopes. Rabbit mAbs included critical D-gene segment RBD-recognizing features in common with human anti-RBD mAbs, despite rabbit genomes lacking an equivalent human D-gene segment, thus demonstrating that the immune systems of humans and other mammals can utilize different antibody gene segments to arrive at similar modes of antigen recognition. These results suggest that animal models can be used to elicit anti-RBD mAbs with similar properties to those raised in humans, which can then be humanized for therapeutic use, and that mosaic RBD nanoparticle immunization coupled with multiplexed screening represents an efficient way to generate and select broadly cross-reactive therapeutic pan-sarbecovirus and pan-SARS-CoV-2 variant mAbs.

Science & Technology - Other Topics↗

DOE OSTI2026

Benchmark of the Chlorine Worth Study Experiments in Support of Chlorine Nuclear Data Validation for Nuclear Criticality Safety

The Chlorine Worth Study (CWS) was a critical experiment to address an urgent need for thermal chlorine nuclear data validation in plutonium systems. This urgent need is tied directly to plutonium recycle and recovery operations in the plutonium facility at Los Alamos National Laboratory, where exceptionally conservative criticality safety limits are used because no credit is taken for the neutron capture by chlorine. The experiment used weapons-grade plutonium metal plates clad in stainless steel, known as the PANN (plutonium aluminum no nickel) ZPPR (zero power physics reactor) plates. The plutonium was reflected and moderated by high-density polyethylene and included combinations of polyvinyl chloride (PVC) and chlorinated polyvinyl chloride (CPVC) as absorbers. The experiment and benchmark included three configurations mimicking 30 g 239 Pu/L plutonium, 300 g 239 Pu/L plutonium, and 600 g 239 Pu/L plutonium in an aqueous chloride solution. Uncertainties in the benchmark included five broad categories: (1) criticality measurement, (2) mass and density, (3) dimensions, (4) material compositions, and (5) positioning. The largest contribution to the overall uncertainties for all three cases came from the material compositions, in particular the PVC and CPVC absorber compositions. A detailed model was created to be a near match (that is within expectations of transport code users) and a simplified model was created to minimize offset dimensions and expedite modeling for code validation. Sample calculations were completed in MCNP6.3 with ENDF/B-VIII.0 and ENDF/B-VII.1 nuclear data. For the detailed and simplified models, the average difference between the computed and experimental k eff was 951 pcm. CWS will serve as the key validation experiment for nuclear criticality safety in support of aqueous chloride operations. The sensitivity to the chlorine capture cross section is orders of magnitude greater than other existing benchmarks. The current limits, as defined by nuclear criticality safety, are 520 g Pu per batch, i.e. the minimum critical mass of the Pu solution infinitely reflected by water [Criticality Handbook: Volume II, (1969)]. This extremely conservative critical mass limit does not credit any neutron capture by chlorine (in particular neutron capture by 35 Cl) and greatly impedes the throughput required for current and future operations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Mass transport limitations in polymer electrolyte water electrolyzers using spatially-resolved current measurement

Here this work utilizes spatially-resolved current measurements to provide insight into mass transport limitations in electrolyzers that are not observable from traditional polarization measurement. In this study, two types of flow-fields (parallel and triple-serpentine) and two types of diffusion media (patterned porous thin titanium foil LGDLs and Ir-coated titanium felt PTLs) were examined. A non-uniform current distribution dominated by mass transport limitations was observed to be instigated by the restriction of liquid water transport to catalyst sites. Additionally, conditions are revealed which yield similar polarization performance but dissimilar current distributions. In such cases, the transport limitations for different architectures and porous media affect polarization in different regions of the active area. Furthermore, the triple-serpentine flow-field used in this study performs better than the parallel flow-field under mass transport limited operating conditions. This indicates that the parallel flow-field used in this study is more susceptible to starvation than the triple-serpentine flow-field for the electrolyzer studied.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2022

Multiport Control with Partial Power Processing in Solid-State Transformer for PV, Storage, and Fast-Charging Electric Vehicle Integration

This article proposes a multiport control method to enable partial power processing (PPP) in a medium-voltage (MV) multiport solid-state transformer (SST). MV multiport SSTs are promising in integrating low-voltage DC sources or loads such as solar photovoltaic, energy storage, and electric vehicles into smart grids without bulky line-frequency transformers. Compared to voltage-source SST, current-source (CS) SST features single-stage isolated bidirectional AC/AC, AC/DC, or DC/DC conversion using an inductive DC link. For a multiport CS SST, it is revealed in this article that the PPP capability can be enabled through the proposed control without extra hardware, different from the case of voltage-source converters where special hardware architecture is required for the PPP. With the PPP, most power exchange between LV ports is processed by only a fraction of the entire conversion stage, leading to reduced DC-link current, volume, loss, and improved efficiency. The proposed multiport PPP control scheme is analyzed to verify the advantages across a wide voltage and power range against conventional full power processing (FPP) multiport control, using the soft-switching solid-state transformer (S4T) with reduced conduction loss as an example. Comparative experimental results based on a SiC three-port S4T prototype verify the effectiveness of the proposed PPP scheme against the FPP scheme under both steady state and dynamic conditions. Here, the DC-link current reduction is measured to be more than 36%. Significantly, the proposed multiport PPP control scheme is generic and applicable to any hard-switching or soft-switching CS SSTs without extra hardware.

14 SOLAR ENERGY↗