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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Data for Solvent-Free Enzymatic Esterification of Free Fatty Acids with Glycerol for Biodiesel Application: Optimized Using the Taguchi Experimental Method

Presence of free fatty acids along with glycerides poses a technical difficulty for biodiesel production. This work used a Taguchi L9 design to optimize the solvent-free enzymatic process to result in the esterification of oleic acid with glycerol. Under optimal conditions the esterification reaction temperature of 60°C, enzyme dose of 5 wt%, glycerol: oleic acid molar ratio of 5:1, and reaction time of 3 h, a 75.235 ± 2.19% conversion of oleic acid to esters was achieved. With the addition of molecular sieves, the conversion increased to 86.73% ± 1.09%. However, using the parameters predicted by Taguchi design (60°C, 5 wt%, 5:1, and 4.5 h), 88.5% ± 1.11% of oleic acid could be converted to esters derivative. Diglycerides were the major product, and the reaction equilibrium was attained after 4 h. The immobilized enzyme could be used up to seven times with only a 10% reduction in the conversion. Thus, the process can efficiently reduce the free fatty acid content of oil to make it suitable for biodiesel production.

Conversion↗
NASA NTRS1996

A Database for Propagation Models and Conversion to C++ Programming Language

The telecommunications system design engineer generally needs the quantification of effects of the propagation medium (definition of the propagation channel) to design an optimal communications system. To obtain the definition of the channel, the systems engineer generally has a few choices. A search of the relevant publications such as the IEEE Transactions, CCIR's, NASA propagation handbook, etc., may be conducted to find the desired channel values. This method may need excessive amounts of time and effort on the systems engineer's part and there is a possibility that the search may not even yield the needed results. To help the researcher and the systems engineers, it was recommended by the conference participants of NASA Propagation Experimenters (NAPEX) XV (London, Ontario, Canada, June 28 and 29, 1991) that a software should be produced that would contain propagation models and the necessary prediction methods of most propagation phenomena. Moreover, the software should be flexible enough for the user to make slight changes to the models without expending a substantial effort in programming. In the past few years, a software was produced to fit these requirements as best as could be done. The software was distributed to all NAPEX participants for evaluation and use, the participant reactions, suggestions etc., were gathered and were used to improve the subsequent releases of the software. The existing database program is in the Microsoft Excel application software and works fine within the guidelines of that environment, however, recently there have been some questions about the robustness and survivability of the Excel software in the ever changing (hopefully improving) world of software packages.

Kantak, Anil V.↗
DOE OSTI2020

Getting to Neutral: Options for Negative Carbon Emissions in California

This report is an assessment of negative emissions pathways - ones that physically remove CO 2 from the atmosphere - that can help California achieve carbon neutrality by 2045, or sooner. It integrates original research findings with current published research on three main pillars of negative emissions: natural and working lands, carbon capture from biomass conversion to fuels, and direct air capture. The focus and scope of this report is unique: it only addresses practices and technologies for removing carbon dioxide from the air. It also encompasses the entire breadth of strategies, from land management to the latest technological options, and it evaluates the cost of every step of the solution, from waste biomass collection to carbon dioxide transport and geologic storage. The methods are intended to be transparent; details of the calculations and underlying data are included in the report body and appendices. This study intentionally avoids any discussion of policies and does not include current incentives; it provides a range of options, tradeoffs and costs that can be used to inform future policies. The key finding of this report is that carbon neutrality is achievable.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1997

Design Criteria for X-CRV Honeycomb Panels: A Preliminary Study

The objective of this project is to perform the first step in developing structural design criteria for composite sandwich panels that are to be used in the aeroshell of the crew return vehicle (X-CRV). The preliminary concept includes a simplified method for assessing the allowable strength in the laminate material. Ultimately, it is intended that the design criteria be extended to address the global response of the vehicle. This task will require execution of a test program as outlined in the recommendation section of this report. The aeroshell of the X-CRV is comprised of composite sandwich panels consisting of fiberite face sheets and a phenolic honeycomb core. The function of the crew return vehicle is to enable the safe return of injured or ill crewpersons from space station, the evacuation of crew in case of emergency or the return of crew if an orbiter is not available. A significant objective of the X-CRV project is to demonstrate that this vehicle can be designed, built and operated at lower cost and at a significantly faster development time. Development time can be reduced by driving out issues in both structural design and manufacturing concurrently. This means that structural design and analysis progresses in conjunction with manufacturing and testing. Preliminary tests results on laminate coupons are presented in the report. Based on these results a method for detection material failure in the material is presented. In the long term, extrapolation of coupon data to large scale structures may be inadequate. Test coupons used to develop failure criteria at the material scale are typically small when compared to the overall structure. Their inherent small size indicates that the material failure criteria can be used to predict localized failure of the structure, however, it can not be used to predict failure for all failure modes. Some failure modes occur only when the structure or one of its sub-components are studied as a whole. Conversely, localized failure may not indicate failure of the structure as a whole and the amount of reserve capacity, if any, should be assessed. To develop a complete design criteria experimental studies of the sandwich panel are needed. Only then can a conservative and accurate design criteria be developed. This criteria should include effects of flaws and defects, and environmental factors such as temperature and moisture. Preliminary results presented in this report suggest that a simplified analysis can be used to predict the strength of a laminate. Testing for environmental effects have yet to be included in this work. The so called 'rogue flaw test' appears to be a promising method for assessing the effect of a defect in a laminate. This method fits in quite well with the philosophy of achieving a damage tolerant design.

Caccese, Vincent↗
DOE OSTI2023

CO 2 Activation with Manganese Tricarbonyl Complexes through an H–Atom Responsive Benzimidazole Ligand

Herein, we report the synthesis and characterization of two manganese tricarbonyl complexes, Mn I (HL)(CO) 3 Br (1 a-Br) and Mn I (MeL)(CO) 3 Br (1 b-Br) (where HL=2-(2’-pyridyl)benzimidazole; MeL=1-methyl-2-(2’-pyridy)benzimidazole) and assayed their electrocatalytic properties for CO 2 reduction. A redox-active pyridine benzimidazole ancillary ligand in complex 1 a-Br displayed unique hydrogen atom transfer ability to facilitate electrocatalytic CO 2 conversion at a markedly lower reduction potential than that observed for 1 b-Br. Notably, a one-electron reduction of 1 a-Br yields a structurally characterized H-bonded binuclear Mn(I) adduct (2 a’) rather than the typically observed Mn(0)-Mn(0) dimer, suggesting a novel method for CO 2 activation. Furthermore, combining advanced electrochemical, spectroscopic, and single crystal X-ray diffraction techniques, we demonstrate the use of an H-atom responsive ligand may reveal an alternative, low-energy pathway for CO 2 activation by an earth-abundant metal complex catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Chapter 4 - Pretreatment Technologies for Lignocellulosic Biomass Refineries

Pretreatment is a critical step in processing lignocellulosic biomass into biofuel and bioproducts and is considered the energy and cost center of the biomass conversion process. Although a large number of pretreatment technologies have been developed, not all the techniques are viable on a commercial scale at this stage. Moreover, the technology choice and process conditions depend highly on the type of biomass and the overall biorefinery scheme. This chapter provides an overview of different pretreatment methods, including their mechanism, important process parameters, current status, and challenges. The opportunities associated with new technologies and approaches are presented. Emphasis is placed on low-severity thermal pretreatment technologies. The chapter also provides a brief discussion of the challenges to achieving the economic viability of the technologies on a commercial scale.

BIOMASS FUELS↗
DOE OSTI2019

Experimental data based combinatorial kinetic simulations for predictions of synergistic catalyst mixtures

Physical mixtures of catalysts can sometimes show synergistic activity which exceeds the sum of the activities of the same amount of catalysts employed separately. However, identifying such synergistic mixtures is non-trivial. Not all mixtures display synergy, and the number of combinations that are possible (even for binary mixtures of equal portions) scales very rapidly, and thus they would be costly to screen experimentally. In this work, we show that it is possible to predict synergistic mixtures using combinatorial kinetic simulations based on experimental data collected on individual catalysts. The data was first collected for conditions-of-interest under low conversions (also called near differential conditions, such that each condition approximates a small volume in a non-differential conditions reactor) to build a library of kinetic models (one model for each catalyst). This data was then used for combinatorial kinetic simulations of non-differential reactor scale conversions, and successfully predicted the qualitative behavior of two synergistic physical mixtures. The capability was utilized in the present work in the context of converting CO, C 3 H 6 , and NO species in simulated car exhaust, but is a general approach. We provide equations to estimate the costs of the screening method as well as the combinatorial kinetics method and show that the costs of identifying synergistic physical mixtures become much lower with the combinatorial kinetics method even before ten catalysts of interest. The cost of using prediction by the combinatorial kinetics method continue to become lower (relative to screening) when more catalysts are added -- and even more so if mixtures beyond two components, or consideration of multiple catalyst ratios, is of interest.

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

Cold air quench control of local crystallization environment in fully air-processed carbon-based perovskite solar cells

Carbon-based perovskite solar cells (C-PSCs) present a low-cost route to efficient photovoltaic technology. Gas quenching is an essential process commonly used for solvent extraction in scalable module fabrication using solution processes, but film quality remains highly sensitive to the localized environmental processing temperature, especially during intermediate phase transitions before perovskite film high temperature annealing. In this study, we introduce a cold air quench strategy to precisely control the local crystallization temperature that simultaneously promotes uniform crystallization and facilitates strain relaxation in fully air-processed C-PSCs. It is found that implementing dry air at 10 °C as the quenching gas yields a champion power conversion efficiency (PCE) of 20.52 %, with preferential (110) orientation and reduced, homogenized in-plane strain. This newly developed technique of a cost-effective low temperature air quenching process also enhances carrier lifetime, reduces interface recombination, and improves charge extraction. Furthermore, this work presents cold air quenching as a scalable, economic method to control perovskite crystallization and strain in C-PSC fabrication, advancing the industrial viability of high-performance perovskite modules.

14 SOLAR ENERGY↗
DOE OSTI2026

Machine Learning Interatomic Potentials for Modeling Framework Flexibility and Water Uptake in NbOFFIVE-1-Ni Metal–Organic Framework

Metal–organic frameworks (MOFs), with their distinctive porous structures and tunable chemical properties, have shown immense promise in the separation and storage of gases. Currently, the accurate simulation of their adsorptive properties remains challenging, especially for systems where the molecules fit very tightly into the pores. Traditional simulation methods often approximate the frameworks as rigid and do not account for the framework flexibility seen in materials such as NbOFFIVE-1-Ni. First-principles molecular dynamics (FPMD) simulations offer the desired accuracy in modeling this flexibility but are limited by their extensive computational demands, rendering them impractical for long simulations. Conversely, classical force field-based simulations offer computational efficiency but lack the necessary accuracy. Here, to break this accuracy-efficiency trade-off, we have developed machine learning interatomic potentials trained on energies and forces from FPMD to model the framework flexibility of NbOFFIVE-1-Ni in the presence of water over nanosecond time scales. Furthermore, by integrating MLIP-driven molecular dynamics (MLIP-MD) with grand canonical Monte Carlo (GCMC) simulations, we further incorporated framework flexibility into adsorption predictions, yielding water adsorption isotherms that better align with experimental data compared to those of conventional GCMC simulations. These advances offer new opportunities for the design and optimization of MOFs in gas storage and separation applications.

adsorption↗
DOE OSTI2025

Doping in Efficient Polycrystalline CdSeTe Solar Cells via AsCl 3 Vapor Annealing

Doping in cadmium telluride (CdTe) thin-film solar cells is a critical step in producing highly efficient CdTe solar modules. To date, copper (Cu) ex-situ diffusion doping and group V in situ doping (such as arsenic, As) have been effectively used in manufacturing CdTe solar modules. However, Cu doping is prone to rapid degradation, whereas the low activation ratio of the dopants constrains group V in situ doping. Recently, ex-situ group V doping has been developed, showing an improved doping activation ratio through a solution process. Here, in this study, we developed a vapor-based AsCl 3 doping method for diffusion doping of polycrystalline CdSeTe devices. AsCl 3 vapor annealing can promote the diffusion of As into the bulk CdSeTe through a surface chemical reaction between CdTe and AsCl 3 . This approach has led to a long carrier lifetime of over 72 ns, V oc of 850 mV, and power conversion efficiency of ~18% with Au metal electrodes. The vapor-based ex situ group V doping approach offers an effective means to perform group V diffusion doping into the CdSeTe device.

14 SOLAR ENERGY↗
DOE OSTI2020

Analysis of a preQ1-I riboswitch in effector-free and bound states reveals a metabolite-programmed nucleobase-stacking spine that controls gene regulation

Abstract Riboswitches are structured RNA motifs that recognize metabolites to alter the conformations of downstream sequences, leading to gene regulation. To investigate this molecular framework, we determined crystal structures of a preQ1-I riboswitch in effector-free and bound states at 2.00 Å and 2.65 Å-resolution. Both pseudoknots exhibited the elusive L2 loop, which displayed distinct conformations. Conversely, the Shine-Dalgarno sequence (SDS) in the S2 helix of each structure remained unbroken. The expectation that the effector-free state should expose the SDS prompted us to conduct solution experiments to delineate environmental changes to specific nucleobases in response to preQ1. We then used nudged elastic band computational methods to derive conformational-change pathways linking the crystallographically-determined effector-free and bound-state structures. Pathways featured: (i) unstacking and unpairing of L2 and S2 nucleobases without preQ1—exposing the SDS for translation and (ii) stacking and pairing L2 and S2 nucleobases with preQ1—sequestering the SDS. Our results reveal how preQ1 binding reorganizes L2 into a nucleobase-stacking spine that sequesters the SDS, linking effector recognition to biological function. The generality of stacking spines as conduits for effector-dependent, interdomain communication is discussed in light of their existence in adenine riboswitches, as well as the turnip yellow mosaic virus ribosome sensor.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Analysis of Solar Receiver Performance for Chemical-Looping Integration With a Concentrating Solar Thermal System

This paper introduces a chemical-looping configuration integrated with a concentrating solar thermal (CST) system. The CST system uses an array of mirrors to focus sunlight, and the concentrated solar flux is applied to a solar receiver to collect and convert solar energy into thermal energy. The thermal energy then drives a thermal power cycle for electricity generation or provides an energy source to chemical processes for material or fuel production. Considerable interest in CST energy systems has been driven by power generation, with its capability to store thermal energy for continuous electricity supply or peak shaving. However, CST systems have other potential to convert solar energy into fuel or to support thermochemical processes. Thus, we introduce the concept of a chemical-looping configuration integrated with the CST system that has potential applications for thermochemical energy storage or solar thermochemical hydrogen production. The chemical-looping configuration integrated with a CST system consists of the following: a solar-receiver reactor for solar-energy collection and conversion, thermochemical energy storage, a reverse reactor for energy release, and system circulation. We describe a high-temperature reactor receiver that is a key component in the chemical-looping system. We also show the solar-receiver design and its performance analyzed by solar-tracing and thermal-modeling methods for integration within a CST system.

14 SOLAR ENERGY↗
DOE OSTI2025

Virtual Engineering: Python framework for engineering process design

Virtual Engineering (VE) is a Python software framework designed to accelerate the research and development of engineering processes that are fundamentally defined by multiple unit operations executed in series. VE supports a wide variety of different multi-physics models and integrates them to simulate a complete end-to-end process. To automate the execution of this model sequence, VE provides (i) a robust method to communicate between models, (ii) a high-level, user-friendly interface to set model parameters and enable optimization, and (iii) an overall model-agnostic approach that allows new computational units to be swapped in and out of workflows. Although the VE framework was developed to support the biochemical conversion of biomass to fuel, we have designed each component to easily accommodate new domains and unit models.

09 BIOMASS FUELS↗
DOE OSTI2017

Plasmoid Instability in Forming Current Sheets

The plasmoid instability has revolutionized our understanding of magnetic reconnection in astrophysical environments. By preventing the formation of highly elongated reconnection layers, it is crucial in enabling the rapid energy conversion rates that are characteristic of many astrophysical phenomena. Most previous studies have focused on Sweet–Parker current sheets, which are unattainable in typical astrophysical systems. Here we derive a general set of scaling laws for the plasmoid instability in resistive and visco-resistive current sheets that evolve over time. Our method relies on a principle of least time that enables us to determine the properties of the reconnecting current sheet (aspect ratio and elapsed time) and the plasmoid instability (growth rate, wavenumber, inner layer width) at the end of the linear phase. After this phase the reconnecting current sheet is disrupted and fast reconnection can occur. The scaling laws of the plasmoid instability are not simple power laws, and they depend on the Lundquist number (S), the magnetic Prandtl number (P m ), the noise of the system (${\psi }_{0}$), the characteristic rate of current sheet evolution ($1/\tau $), and the thinning process. We also demonstrate that previous scalings are inapplicable to the vast majority of astrophysical systems. Furthermore, we explore the implications of the new scaling relations in astrophysical systems such as the solar corona and the interstellar medium. In both of these systems, we show that our scaling laws yield values for the growth rate, wavenumber, and aspect ratio that are much smaller than the Sweet–Parker–based scalings.

Sun: flares↗
NASA NTRS1987

New Polymeric Precursors of Silicon Carbide

Silicon carbide made by pyrolizing polymers. Method conceived for preparation of poly(decamethylcyclohexasilanes) as precursors for preparation of silicon carbide at high yield. Technical potential of polysilanes as precursors of SiC ceramics being explored. Potential limited by intractability of some polysilanes; formation of small, cyclic polycarbosilane fragments during pyrolysis; and overall low char yield and large shrinkage in conversion to ceramics.

Litt, M.↗
NASA NTRS1997

Space Environmental Effects on the Optical Properties of Selected Transparent Polymers

Transparent polymer films are currently considered for use as solar concentrating lenses for spacecraft power and propulsion systems. These polymer films concentrate solar energy onto energy conversion devices such as solar cells and thermal energy systems. Conversion efficiency is directly related to the polymer transmission. Space environmental effects will decrease the transmission and thus reduce the conversion efficiency. This investigation focuses on the effects of ultraviolet and charged particle radiation on the transmission of selected transparent polymers. Multiple candidate polymer samples were exposed to near ultraviolet (NUV) radiation to screen the materials and select optimum materials for further study. All materials experienced transmission degradation of varying degree. A method was developed to normalize the transmission loss and thus rank the materials according to their tolerance of NUV. Teflon(Tm) FEP and Teflon(Tm) PFA were selected for further study. These materials were subjected to a combined charged particle dose equivalent to 5 years in a typical geosynchronous Earth orbit (GEO). Results from these NUV screening tests and the 5 year GEO equivalent dose are presented.

Edwards, David L.↗
NASA NTRS2002

Intersymbol Interference Investigations Using a 3D Time-Dependent Traveling Wave Tube Model

For the first time, a time-dependent, physics-based computational model has been used to provide a direct description of the effects of the traveling wave tube amplifier (TWTA) on modulated digital signals. The TWT model comprehensively takes into account the effects of frequency dependent AM/AM and AM/PM conversion; gain and phase ripple; drive-induced oscillations; harmonic generation; intermodulation products; and backward waves. Thus, signal integrity can be investigated in the presence of these sources of potential distortion as a function of the physical geometry and operating characteristics of the high power amplifier and the operational digital signal. This method promises superior predictive fidelity compared to methods using TWT models based on swept- amplitude and/or swept-frequency data. First, the TWT model using the three dimensional (3D) electromagnetic code MAFIA is presented. Then, this comprehensive model is used to investigate approximations made in conventional TWT black-box models used in communication system level simulations. To quantitatively demonstrate the effects these approximations have on digital signal performance predictions, including intersymbol interference (ISI), the MAFIA results are compared to the system level analysis tool, Signal Processing Workstation (SPW), using high order modulation schemes including 16 and 64-QAM.

Kory, Carol L.↗