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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Innovative Polyhydroxyalkanoates (PHA) Production with Microbial Electrochemical Technology (MET)

The project “Innovative Polyhydroxyalkanoates (PHA) Production with Microbial Electrochemical Technology (MET)” addressed food waste disposal challenges by successfully converting food waste to bioplastics (known as PHAs). The novel process created by our team of researchers from universities, national labs, and industry substantially enhanced overall carbon conversion efficiency of food waste processing (> 50%), while reducing disposal costs (> 25%). The project showed economic viability potential at community scale through pilot-scale demonstration at a relevant scale (50 L reactor volume) with more than 100 hours of PHA production using realistic conditions. The project goal was to valorize food waste by shunting traditional anaerobic digestion processing and creating a value-added PHA processing route that improves the economics and sustainability of local, community-scale, wet organic waste treatment. First, the food waste undergoes microbial-based, dark fermentation to break down the food to small carbon chains known as volatile fatty acids (VFAs). Instead of microorganisms converting the VFAs into methane using normal anaerobic digestion processing, our innovative process inhibits methane production. This preserves the produced VFAs for extraction and use by a novel Haloferax mediterranei (HM) archaea, which effectively converts the VFAs to bioplastics. The project added microbial electrochemical cells (MEC) to the dark fermentation process to enhance the VFAs produced and optimize the type of bioplastics formed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Topology, landscapes, and biomolecular energy transport

While ubiquitous, energy redistribution remains a poorly understood facet of the nonequilibrium thermodynamics of biomolecules. At the molecular level, finite-size effects, pronounced nonlinearities, and ballistic processes produce behavior that diverges from the macroscale. Here, we show that transient thermal transport reflects macromolecular energy landscape architecture through the topological characteristics of molecular contacts and the nonlinear processes that mediate dynamics. While the former determines transport pathways via pairwise interactions, the latter reflects frustration within the landscape for local conformational rearrangements. Unlike transport through small-molecule systems, such as alkanes, nonlinearity dominates over coherent processes at even quite short time- and length-scales. Our exhaustive all-atom simulations and novel local-in-time and space analysis, applicable to both theory and experiment, permit dissection of energy migration in biomolecules. The approach demonstrates that vibrational energy transport can probe otherwise inaccessible aspects of macromolecular dynamics and interactions that underly biological function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Scalable edge clustering of dynamic graphs via weighted line graphs

Timestamped relational datasets consisting of records (or connections) between pairs of entities are ubiquitous in network science. For applications like peer-to-peer communication, email, various social network interactions, and computer network security, it is useful to organize these records into groups based on how and when they are occurring. Weighted line graphs offer a natural way to model how records are related in such datasets but for large real-world graph topologies, building and utilizing the line graph is prohibitively expensive. Here, we present the framework to cluster the edges of a dynamic graph via the associated line graph that contains two major contributions. The first is a method to work with the line graph implicitly and the second is a distributed scale implementation of an agglomerative hierarchical graph clustering algorithm. We outline a novel hierarchical dynamic graph edge clustering approach that efficiently breaks massive relational datasets into small sets of edges containing events at various timescales. This is in stark contrast to traditional graph clustering algorithms that prioritize highly connected (clique-like) community structures. Our approach relies on constructing a sufficient subgraph of a weighted line graph and applying a hierarchical agglomerative clustering. This approach is related to scalable techniques from spatial clustering, nonlinear-dimension reduction, topological data analysis, and draws particular inspiration from HDBSCAN. As an edge clustering, this method yields an overlapping node clustering. Our algorithm is parallelizable and we demonstrate efficient clustering of a billion-scale, real-world dynamic graph into small edge sets that correlate in topology and time. The entire clustering process for a graph with tens of billions of edges takes just a few minutes of run time on 256 nodes of a distributed compute environment. We argue how the output of the edge clustering is useful for a multitude of data visualization and powerful machine learning tasks, both involving the original massive dynamic graph data and metadata associated with the nodes and edges. Finally, we describe how this approach can be extended to dynamic hypergraphs and dynamic graphs/hypergraphs with unstructured data living on vertices and edges.

Data Analysis↗
DOE OSTI2019

Low-Energy, Low-Cost Ethylene Production by Low-Temperature Oxidative Coupling of Methane

Ethylene, one of the highest volume production chemicals in the U.S. and globally, is an essential chemical building block that is used to manufacture countless products, from packaging to antifreeze to tires. Most ethylene is produced via a process called steam cracking, where the feedstock (mostly ethane, sometimes naphtha or propane) is heated to high temperatures over a catalyst. The naphtha feedstock typically comes from petroleum refineries, while ethane is becoming increasingly used as a feedstock in the U.S. due to the rise in domestic natural gas production from shale resources. However, steam cracking is energy intensive and occurs in large- scale facilities. Low-temperature oxidative coupling of methane (LT-OCM) is an alternative ethylene production method that converts methane (natural gas) and optionally ethane to ethylene in a single-step, energy-producing conversion system using an innovative process. While OCM has been studied for over 30 years due to its potential to reduce ethylene production cost, past efforts did not result in a viable catalyst with performance needed for commercialization. These catalysts, while at times achieving promising yield and selectivity, were hampered by very high operating temperatures, low activities, and short lifetimes on the order of hours to days. Recognizing this, Siluria applied a combination of new innovations in catalyst development and a thorough definition and understanding of the problem to develop unique catalysts that enable commercialization of OCM. The OCM catalysts operate at significantly lower temperature (several hundreds of degrees lower) and practical operating pressures (5-10 atmospheres), have high activities and standard lifetimes of years under said conditions. In addition, the simple process provides excellent scalability and flexibility, especially when compared to today’s mega-scale steam crackers, thus enabling small- volume “distributed scale” reactors for on-demand ethylene production for applications such as on-site conversion of ethylene to high value polymer derivatives.

02 PETROLEUM↗
NASA NTRS1975

CARETS: A prototype regional environmental information system. Volume 13: Utility of CARETS products to local planners; an evaluation

The Metropolitan Washington Council of Governments (MWCOG) in cooperation with and under contract to the U.S. Geological Survey, conducted an evaluation of the utility of remote-sensor derived land use data produced by the USGS Central Atlantic Regional Ecological Test Site (CARETS) project. Investigators invited representatives of Washington, D.C. metropolitan area planning agencies to a workshop, introduced them to the CARETS products, and asked them to evaluate the products. In follow-up interviews, planners from 12 participating agencies reported general support for the fulI spectrum of CARETS products but gave more positive responses towards products with which they had some familiarity. Planners considered some products of limited utility because of (1) insufficient detail, (2) too small a scale, or (3) lack of technical capability to incorporate the information and products into the current planning process. Some planners expressed doubt about the application of CARETS products in most day-to-day planning activities , which involve specific rezoning requests or site development plans requiring highly localized data. The greatest potential of the CARETS products was in the identification of broad development patterns at the county or regional level. An appendix documents the results of an inventory of local government decisions relating to land use.

Land use planning↗
NASA NTRS1988

Modeling of impulsive propellant reorientation

The impulsive propellant reorientation process is modeled using the (Energy Calculations for Liquid Propellants in a Space Environment (ECLIPSE) code. A brief description of the process and the computational model is presented. Code validation is documented via comparison to experimentally derived data for small scale tanks. Predictions of reorientation performance are presented for two tanks designed for use in flight experiments and for a proposed full scale OTV tank. A new dimensionless parameter is developed to correlate reorientation performance in geometrically similar tanks. Its success is demonstrated.

Hochstein, John I.↗
NASA NTRS1989

Modeling of impulsive propellant reorientation

The impulsive propellant reorientation process is modeled using the Energy Calculations for Liquid Propellants in a Space Environment (ECLIPSE) code. A brief description of the process and the computational model is presented. Code validation is documented via comparison to experimentally derived data for small scale tanks. Predictions of reorientation performance are presented for two tanks designed for use in flight experiments and for a proposed full scale OTV tank. A new dimensionless parameter is developed to correlate reorientation performance in geometrically similar tanks. Its success is demonstrated.

Hochstein, John I.↗
NASA NTRS1993

Global-, local-, and intermediate-scale structures in prototype spiral galaxies

The relationship between galactic spiral structure and the matter in the underlying disk constitutes one of the central problems in galactic dynamics. In Bertin et al. (1989), disk matter characterized by a low-dispersive speed is shown to be capable of playing a key role in the generation of large-scale spiral structure. In Roberts et al. (1992), this self-gravitating, low-dispersion disk matter is shown to be capable of playing an essential role in the formation of structure on local and intermediate scales. Both in computed cases where large-scale spiral structure is present and in those where it is not, the same dominant physical processes and fundamental dynamical mechanisms are active on local scales. The new perception, in which large-scale and small-scale phenomena operate somewhat independently as evidenced in the computational studies, permits a range of flocculent, multiarmed, and grand design spiral types to be simulated. In particular, grand design galaxies with ragged appearances exhibiting spurs, arm branchings, and interarm bridges in addition to the major spiral arms, similar to those often observed, can be generated.

Roberts, William W., Jr.↗
NASA NTRS1995

The Effect of Propellant Variables on Slag in Subscale Spin Motors: Design and Qualification of a Slag Discrimination Motor - Part 1

The formation, collection, and expulsion of aluminum oxide slag is known to affect the performance of many solid rocket motor systems. Slag expulsion, in particular, is believed to be capable of causing pressure and thrust perturbations. Propellant combustion studies, performed and documented by many investigators, have shown that variations in propellant raw materials and processing affect the nature of alumina droplets at the burning propellant surface, and hence, may affect the quantity of slag retained in the motor chamber, available for expulsion. Thiokol has completed an experimental and analytical evaluation to determine the effects of several material and process variables on Space SHuttle propellant and its propensity to 'slag'. This paper describes the test article, a small scale spin motor with special nozzle, designed and qualified as a slag discriminating tool for use in the evaluation.

Perkins, F. M.↗
NASA NTRS2020

Influence of Dynamic Ozone Dry Deposition on Ozone Pollution

Identifying the contributions of chemistry and transport to observed ozone pollution using regional‐to‐global models relies on accurate representation of ozone dry deposition. We use a recently developed configuration of the NOAA GFDL chemistry‐climate model – in which the atmosphere and land are coupled through dry deposition—to investigate the influence of ozone dry deposition on ozone pollution over northern midlatitudes. In our model, deposition pathways are tied to dynamic terrestrial processes, such as photosynthesis and water cycling through the canopy and soil. Small increases in winter deposition due to more process‐based representation of snow and deposition to surfaces reduce hemispheric‐scale ozone throughout the lower troposphere by 5–12 ppb, improving agreement with observations relative to a simulation with the standard configuration for ozone dry deposition. Declining snow cover by the end of the 21st‐century tempers the previously identified influence of rising methane on winter ozone. Dynamic dry deposition changes summer surface ozone by −4 to +7 ppb. While previous studies emphasize the importance of uptake by plant stomata, new diagnostic tracking of depositional pathways reveals a widespread impact of nonstomatal deposition on ozone pollution. Daily variability in both stomatal and nonstomatal deposition contribute to daily variability in ozone pollution. Twenty‐first century changes in summer deposition result from a balance among changes in individual pathways, reflecting differing responses to both high carbon dioxide (through plant physiology versus biomass accumulation) and water availability. Our findings highlight a need for constraints on the processes driving ozone dry deposition to test representation in regional‐to‐global models.

dry deposition↗
DOE OSTI2019

Oxidation of Organics in the Defense Waste Processing Facility Condensate

Defense Waste Processing Facility (DWPF): The state of South Carolina currently holds 35 million gallons of radioactive waste in 51 underground tanks. DWPF was built in an effort to convert the waste into a more stable form. It turns the sludge waste from the tanks into glass, which will keep the waste stable for 10,000 years. Currently, DWPF uses formic acid in its flowsheet and there is one major problem associated with its use: it decomposes into hydrogen, a flammable gas. Glycolic acid, however, has been found as a possible alternative that performs similarly to formic acid but does not directly form hydrogen. One of the main issues with the glycolic acid flowsheet is the potential for there to be glycolate and other organics in DWPF's Recycle Collection Tank (RCT). These organics could lead to hydrogen generation later in the downstream evaporators and must be destroyed in the RCT in order for glycolic acid to be a suitable replacement for formic acid. Oxidants can be added to the RCT to destroy the organics. Two oxidizers, permanganate and Fenton's reagent (iron catalyzed hydrogen peroxide), are possible candidates. Find optimum processing conditions for the oxidation of organic species in a typical RCT simulant. A reactor served as a small-scale version of the RCT. During each run, an RCT simulant with 8 added organics, including glycolate, was created in the reactor. Either permanganate or peroxide was slowly added for each run through a syringe pump. Each experiment lasts 6 hours and a total of 23 runs are scheduled. Variables of Interest: Oxidizer (Permanganate or Peroxide); Temperature (15 deg. C to 50 deg. C); Oxidant addition time (10 mins to 2 hours); Amount of oxidant (1 x to 1.5 x stoichiometric requirements); Solution pH (3 to 13); Glycolate concentration (125 to 250 mg/kg). Offgas Analyzers: Mass spectrometer and FTIR spectrometer. Samples: pulled at 7 different times throughout the run to determine the amount of organic and inorganic carbon and concentrations of various organics through ion chromatography (IC). Only 3 of the runs have been completed at this point, all with permanganate. Based on the first 3 runs, permanganate seems to oxide the majority of the organics and the run at pH 8 and 32.5 deg. C had the most effective oxidation. The rest of the runs will need to be performed to determine the best oxidant and optimum values of the other variables of interest. Once the experiment is completed, DWPF will select one of the oxidants. Testing will continue to determine its performance during foam-over and other non-ideal conditions. Finally, the oxidant will be tested with actual radioactive waste to confirm its effectiveness.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Vitrification of Hanford Tank Waste 241-AP-107 in a Continuous Laboratory-Scale Melter

Low-activity waste (LAW) stored in underground tanks on the Hanford Site in Washington State is planned to be filtered for solids removal and processed through ion exchange columns for cesium removal. These pretreatment steps will allow the waste to be transferred to the Hanford Tank Waste Treatment and Immobilization Plant’s LAW Facility for immobilization into glass. The liquid waste will be combined with glass-forming chemicals (GFCs) to form a waste feed slurry that can be fed to electric melters for vitrification. The process of continuously converting the aqueous feed slurry into a melt is dynamic and includes multiple reactions, degassing, and dissolution processes that depend on heat from the melt below. In this conversion process, waste components are partitioned into one of two streams: glass and off-gas. Washington River Protection Solutions has requested processing information and chemical information associated with these waste products for actual waste from Hanford tank 241-AP-107 (referred to herein as AP-107). To acquire this type of information, a small-scale melter system was designed that would not require high volumes of input waste or the large resource commitment of a full-scale melter system, while also providing dynamic information that would be difficult to determine from batch reactions in a crucible system. A continuous laboratory-scale melter (CLSM) has been designed to operate with a continuous feeding process while periodically pouring glass product and collecting off-gas. The CLSM vessel has been sized to collect the relevant process and chemical information from obtainable volumes of AP-107 waste samples. A total 8.6 L of actual AP-107 tank waste were received after filtering for solids removal and ion exchange for cesium removal. This volume of AP-107 waste was mixed with GFCs to form an estimated 11.8 L of melter feed slurry. A mass of 7.01 kg of glass product were poured from the CLSM vessel during 10.07 hours of charging the AP-107 melter feed, indicating that about 15.0 kg of melter feed was vitrified into glass. The CLSM system was also designed with the capability to fully divert the flow of off-gas produced in the CLSM vessel to a sampling line that could capture the volatile species of interest, such as technetium-99 ( 99 Tc). This novel sampling system avoided the difficulties of slipstream sampling and could be activated once the feeding reached a steady state within the CLSM vessel. Off-gas product samples captured via high-efficiency particulate air (HEPA) filters using this method, as well as selected glass product samples were sent to an analytical lab for chemical analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Machine learning with knowledge constraints for process optimization of open-air perovskite solar cell manufacturing

Perovskite photovoltaics (PV) have achieved rapid development in the past decade in terms of power conversion efficiency of small-area lab-scale devices; however, successful commercialization still requires further development of low-cost, scalable, and high-throughput manufacturing techniques. One of the critical challenges of developing a new fabrication technique is the high-dimensional parameter space for optimization, but machine learning (ML) can readily be used to accelerate perovskite PV scaling. Herein, we present an ML-guided framework of sequential learning for manufacturing process optimization. We apply our methodology to the Rapid Spray Plasma Processing (RSPP) technique for perovskite thin films in ambient conditions. With a limited experimental budget of screening 100 process conditions, we demonstrated an efficiency improvement to 18.5% as the best-in-our-lab device fabricated by RSPP, and we also experimentally found 10 unique process conditions to produce the top-performing devices of more than 17% efficiency, which is 5 times higher rate of success than the control experiments with pseudo-random Latin hypercube sampling. Our model is enabled by three innovations: (a) flexible knowledge transfer between experimental processes by incorporating data from prior experimental data as a probabilistic constraint; (b) incorporation of both subjective human observations and ML insights when selecting next experiments; (c) adaptive strategy of locating the region of interest using Bayesian optimization first, and then conducting local exploration for high-efficiency devices. Furthermore, in virtual benchmarking, our framework achieves faster improvements with limited experimental budgets than traditional design-of-experiments methods (e.g., one-variable-at-a-time sampling). This framework shows the capability of incorporating researchers’ domain knowledge into the ML-guided optimization loop; therefore, it has the potential to facilitate the wider adoption of ML in scaling to perovskite PV manufacturing.

14 SOLAR ENERGY↗
NASA NTRS2018

Nanoscale Fabrication of Microwave Detectors from Commercially-Available CVD-Grown Monolayer Graphene

Using commercially-available monolayer graphene, synthesized by means of chemical vapor deposition, microwave power sensing elements have been nanofabricated and integrated with microwave-grade test structures suitable for on-wafer probing. The graphene, situated on a thermal oxide, was first cleaned of stray contaminants in a forming gas environment briefly held at 250 degrees Celsius using a rapid thermal annealer. Immediately following this step, the graphene was passivated with a protective aluminum oxide layer (approximately S nm in thickness). Micrometer-scale Corbino disc test structures were then fabricated in direct contact with the graphene using a self-aligned process, which relies on the fact that tetramethylammonium hydroxide develops the photoresist while removing the aluminum oxide. Graphene nanoribbons (with widths as small 400 nm) were then fabricated across the Corbino disc gaps using electron-beam writing in conjunction with a negative tone resist. The same developer exposed the majority of the graphene while defining nanometer-scale lines of photoresist stacked upon aluminum oxide. These stacks served as etch-stops while the unprotected graphene was ion-milled in an oxygen plasma. Finally, the photoresist was removed leaving behind passivated graphene nanoribbons. Damage caused by the fabrication was evaluated by comparing the Raman spectra of the grapheme before and after processing.

detectors↗
DOE OSTI2025

Vibroacoustic Process Monitoring of 5-Stage Centrifugal Contactors

Vibroacoustic monitoring was investigated to aid in informing process operators with parameters regarding aqueous separation techniques. These techniques have a wide range of applications including nuclear fuel reprocessing. A small-scale solvent extraction system was set up with five magnetic drive contactors and two piston pumps to collect realistic operation. Vibration sensors were placed on three of the contactors and both pumps, and a microphone was placed near the system. Contactor rotational speed and pump flow rate were varied with known values to compare against measured vibroacoustic signatures. Spectral analysis allowed for the determination of contactor rotational speed and the ratio of organic to aqueous flow rate, an important parameter for ensuring optimal extraction. Vibration metrics such as kurtosis and crest factor provided additional details regarding individual rotational speeds and have potential in examination of faults for predictive maintenance. Overall, results indicate the capability of vibroacoustic monitoring to improve operator awareness and process outcomes.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2015

Determination of the Contact Angle Based on the Casimir Effect

On a macroscopic scale, a nonreactive liquid partially covering a homogeneous solid surface will intersect the solid at an angle called the contact angle. For molten metals and semiconductors, the contact angle is materially dependent upon both the solid and liquid and typical values fall in the range 80-170 deg, depending on the crucible material. On a microscopic scale, there does not exist a precise and sharp contact angle but rather the liquid and solid surfaces merge smoothly and continuously. Consider the example of the so called detached Bridgman crystal growth process. In this technique, a small gap is formed between the growing crystal and the crucible. At the crystal/melt interface, a meniscus ring is formed. Its width can be in the range of a few micrometers, approaching a microscopic scale. It then becomes questionable to describe the shape of this meniscus by the contact angle. A more advanced treatment of the interface is needed and here we propose such a refined model. The interaction of the liquid surface with the solid can be calculated by considering two forces: a short-range repulsive force and a longer range (up to a few micrometers) Casimir or van der Waals force.

Mazuruk, Konstantin↗