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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Towards improved speed and accuracy of laser powder bed fusion simulations via representation of multiple time scales

Here, we report the result of investigations into alternative representations of the temporal evolution of the laser powder bed fusion (LPBF) process. In order to provide the reader with sufficient context for the following discussion, the modeling challenge and its underlying cause, as well as current attempts to provide a satisfactory solution, will be discussed. Next, the author will describe two numerical methods (multirate time integration and parallel-in-time) to better represent the temporal scales of the problem. Finally, the results of applying these methods to a two-dimensional version of the heat transfer portion of the LPBF problem will be presented, reporting on both convergence and performance behavior, which indicate the possibility of significant speedup of solution calculations (40–100 times), along with well-characterized effects on solution accuracy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Structure-Guided Engineering of a Scoulerine 9-O-Methyltransferase Enables the Biosynthesis of Tetrahydropalmatrubine and Tetrahydropalmatine in Yeast

Benzylisoquinoline alkaloids (BIAs) are an important class of plant natural products with diverse pharmacological properties. Microbial platforms can produce BIAs through heterologous biosynthesis more efficiently than native plant hosts and allow for the generation of currently inaccessible BIA biosynthetic intermediates and unnatural derivatives. However, much remains unknown regarding the structures, substrate scopes, and mechanisms of many of the enzymes involved in BIA biosynthesis, which hampers efforts toward engineering these enzymes to produce alternative products or act in non-native biosynthetic contexts. In this paper, we present multiple crystal structures of two scoulerine 9- O -methyltransferase (S9OMT) variants from Thalictrum flavum which catalyze an essential step in the biosynthesis of berberine. The crystal structures revealed the structural basis for substrate and cofactor recognition by Tf S9OMT and provide further insight into the structure and function of S9OMTs. A structural comparison of the Tf S9OMT and T. flavum norcoclaurine 6OMT ( Tf 6OMT) crystal structures identified important residues for enzyme regiospecificity, which were confirmed via mutagenesis and in vitro assays. Several Tf S9OMT mutants with expanded substrate scopes toward various 1-benzylisoquinoline substrates were generated. The rationally engineered Tf S9OMT mutants with altered regiospecificity were tested in a yeast-based scoulerine production platform and enabled de novo production of tetrahydropalmatrubine and tetrahydropalmatine.

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

Observation of spin-momentum locked surface states in amorphous Bi 2 Se 3

Crystalline symmetries have played a central role in the identification and understanding of quantum materials. Here we investigate whether an amorphous analogue of a well-known three-dimensional strong topological insulator has topological properties in the solid state. We show that amorphous Bi 2 Se 3 thin films host a number of two-dimensional surface conduction channels. Our angle-resolved photoemission spectroscopy data are consistent with a dispersive two-dimensional surface state that crosses the bulk gap. Spin-resolved photoemission spectroscopy shows this state has an anti-symmetric spin texture, confirming the existence of spin-momentum locked surface states. We discuss these experimental results in light of theoretical photoemission spectra obtained with an amorphous topological insulator tight-binding model, contrasting it with alternative explanations. In conclusion, the discovery of spin-momentum locked surface states in amorphous materials opens a new avenue to characterize amorphous matter and triggers the search for an overlooked subset of quantum materials outside of current classification schemes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Characterizing novel Indium Phosphide pad detectors with focused X-ray beams and laboratory tests

Future tracking systems in High Energy Physics experiments will require large instrumented areas with low radiation length. Crystalline silicon sensors have been used in tracking systems for decades, but are difficult to manufacture and costly to produce for large areas. We are exploring alternative sensor materials that are amenable to fast fabrication techniques used for thin film devices. Indium Phosphide pad sensors were fabricated at Argonne National Lab using commercially available InP:Fe 2-inch mono-crystal substrates. Current-voltage and capacitance-voltage characterizations were performed to study the basic operating characteristics of a group of sensors. Micro-focused X-ray beams at Canadian Light Source and Diamond Light Source were used to study the response to ionizing radiation, and characterize the uniformity of the response for several devices. Electrical test results showed a high degree of performance uniformity between the 48 tested devices. X-ray test beam results showed good performance uniformity within tested devices after accounting for spatially-local defects and edge fields. As a result, this motivates further studies into thin film devices for future tracking detectors.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

12 C(p,p') 12 C Reaction ( E p =19.5–30 MeV) for Active Interrogation of Special Nuclear Material

Passive detection of special nuclear material (SNM) is challenging due to its inherently low rate of spontaneous emission of penetrating radiation, the relative ease of shielding, and the fluctuating and frequently overwhelming background. Active interrogation, the use of external radiation to increase the emission rate of characteristic radiation from SNM, has long been considered to be a promising method to overcome those challenges. Current active-interrogation systems that incorporate radiography tend to use bremsstrahlung beams, which can deliver high radiation doses. Low-energy ion-driven nuclear reactions that produce multiple monoenergetic photons may be used as an alternative. The 12 C ( p , p ' ) 12 C reaction is one such reaction that could produce large yields of highly penetrating 4.4- and 15.1-MeV gamma rays. This reaction does not directly produce neutrons below the approximately 19.7 MeV threshold, and the 15.1-MeV gamma-ray line is well matched to the photofission cross section of 235 U and 238 U . In this article, we report the measurements of thick-target gamma-ray yields at 4.4 and 15.1 MeV from the 12 C ( p , p ' ) 12 C reaction at proton energies of 19.5, 25, and 30 MeV. Measurements are made with two 3 -in. EJ-309 cylindrical liquid scintillation detectors and thermoluminescent dosimeters placed at 0 ° and 90 ° , with an additional 1.5 -in. Na I ( Tl ) cylindrical scintillation detector at 0 ° . We estimate the highest yields of the 4.4- and 15.1-MeV gamma rays of 1.65 × 10 10 and 4.47 × 10 8 sr - 1 μ C - 1 at a proton energy of 30 MeV, respectively. The yields in all experimental configurations are greater than in a comparable deuteron-driven reaction that produces the same gamma-ray energies— 11 B ( d , n γ ) 12 C . However, a significant increase of the neutron radiation dose accompanies the proton energy increase from 19.5 to 30 MeV.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

STREAM: Strategic Technology Roadmapping and Energy, Environmental, and Economic Analysis Model

This is the implementation of the framework for the planning of the technological makeup of the industrial sector. Motivated by the efforts to achieve carbon neutrality, the model of this framework modifies the portfolio of technologies over time for the sector of interest such that, - Net Present Value (NPV) is minimized - Constraint on Greenhouse Emissions (GHG), e.g. carbon dioxide, is satisfied - Demand of the underlying commodity is satisfied - The current implementation reflects a case study for the electric power sector. The for a given initial set of capacities of different vintages, the space of decisions include, - Retirement of the existing capacities. - Retrofitting the existing capacities to alternative characteristics. - Creation of new capacities from a technology portfolio. All the associated quantities with the deployments, e.g. CO2, heat requirement, etc.

Thiery, David↗
DOE OSTI2023

Hybrid Electrochemical Hydrogen/Metal Hydride Compressor (Final Technical Report)

Various alternatives to traditional mechanical compressor systems have been considered, including MHC and EHC. Both MHCs and EHCs are solid-state systems that have no moving parts other than valves. Both are quiet and have low maintenance requirements. However, strength and material issues as well as water and heat management issues have challenged EHCs, especially, when operated at very high pressures. Similarly, low efficiency, especially, when staging is required to attain high, pressure ratios, has challenged MHCs and has made them too complex and expensive. Material degradation, due to hydrogen impurity effects, has also created issues for MHCs. One novel alternative evaluated here is to combine EHC and MHC technologies in a way to maximize their advantages and to minimize each of their challenges to improve the overall systems performance on a path to meet or exceed current DOE targets. A hybrid EH/MH compressor takes advantage of lower maintenance and operating costs as well as increased reliability associated with both the MHC and EHC technologies over traditional mechanical compressors. Neither the MHC nor the EHC have any moving parts other than valves. The hybrid system also takes advantage of the higher efficiency and lower cost of the EHC by operating at lower delivery pressures combined with the robust and simple operation of a single-stage, MH compressor at higher pressures. Both MHC and EHC technologies are scalable and can be used for a variety of hydrogen compression and delivery applications.

08 HYDROGEN↗
DOE OSTI2021

The NREL Sensor Laboratory: Status and Future Directions for Hydrogen Detection

The NREL Hydrogen Sensor Laboratory was commissioned in 2010 as a resource for the national and international hydrogen community to ensure the availability and proper use of hydrogen sensors. Since then, the Sensor Laboratory has provided unbiased verification of hydrogen sensor performance for sensor developers, end-users, and regulatory agencies and has also provided active support for numerous code and standards development organizations. Although sensor performance assessment remains a core capability, the mission of the NREL Sensor Laboratory has expanded toward a more holistic approach regarding the role of hydrogen detection and its implementation strategy for both assurance of facility safety as well as for process control applications. Active monitoring for detection of unintended releases has been identified by the NFPA 2 Storage Task Group as a viable approach for improving facility safety and lowering setbacks. The current research program for the Sensor Laboratory addresses both conventional and advanced developing detection strategies in response to the emerging large-scale markets, such as those envisioned by H2@Scale. These emerging hydrogen applications may require alternative detection strategies that supplement and may ultimately supplant the use of traditional sensors for monitoring hydrogen releases. Research focus areas for the NREL Sensor Laboratory now encompasses the characterization of released hydrogen behavior to optimize detection strategies for both indoor and outdoor applications, advanced methods of hydrogen leak detection such as hydrogen wide area monitoring approaches for large scale and distributed applications, the incorporation of active monitoring as a risk reduction strategy to improve safety at hydrogen facilities, and continuing support of hydrogen safety codes and standards. In addition to assurance of safety, detection will be critical for process control applications, such as hydrogen fuel quality verification for fuel cell vehicle applications and for monitoring and controlling of hydrogen-natural gas blend composition.

codes and standards↗
DOE OSTI2022

Characterization of Engineered Pinholes in Dielectric Stacks of High-Performance Poly-Silicon Passivating Contacts

Passivating contact structures are expected to be implemented in > 50 % of industrially manufactured silicon photovoltaics produced over the next decade. One type of passivating contact utilizes a c-Si/dielectric/doped poly-Si layer stack. In cases where the dielectric layer/s are thick enough to impede tunneling of charge carriers, it was shown that disruptions (pinholes) in the dielectric are required to facilitate transport.[1] Pinholes in SiOx layers have typically been formed via high temperature annealing that allows localized breakup of this layer. This approach has drawbacks; 1) high temperature annealing increases cost and 2) pinhole formation is sensitive to both the SiOx thickness and wafer surface morphology making control of density and dimensions difficult. Recently, an alternative method of pinhole formation relying on metal assisted chemical etching (MACE) was shown to allow control over pinhole areal densities.[2] Such control is critical as both the density and dimensions of the pinholes determine saturation current density and contact resistivity. The contacts formed with the MACE process are known as polysilicon on locally etched oxide or PLEO and also result in low saturation current densities and low contact resistivity due to SiOx passivation and engineered pinhole enabled charge carrier transport, respectively. Photovoltaic devices with efficiencies greater than 20 % have recently been produced with these contacts, demonstrating the viability of contacts with engineered pinholes. Experimentally, preferential local collection of excess charge carriers has been observed and definitively connected to thermally induced pinholes in thick SiOx layers within c-Si/SiOx/poly-Si contact structures.[3] Recent work has shown that enhanced local collection of excess carriers can result from enhanced diffusion of dopants through pinholes in SiOx layers.[4] This study was restricted to simulation and characterization of poly-Si with the same dopant type as the c-Si substrates. In this work we focus our analysis on boron doped poly-Si with different stacks of dielectric layers (PLEO and PLENO where the N refers to a SiNy layer on top of the SiOx) on n-type crystalline silicon. This provides insight into how engineered pinholes affect charge collection across the p-n junction. Like previous observations of locally enhanced carrier transport through thermally induced pinholes, the EBIC images in Figure 1 shows that engineered pinholes in PLENO (1a) and PLEO (1b) also exhibit locally enhanced carrier transport at pinhole locations (bright spots in the images). We will also present detailed correlative nanoscale structural and chemical analysis using TEM imaging and EELS analysis with sample preparation guided by EBIC imaging. This allows us to connect the density and dimensions of engineered pinholes with charge carrier transport and measured photovoltaic device parameters. Our findings will accelerate the adoption of PLEO and PLENO contacts in industrially manufactured photovoltaic devices.

EBIC↗
DOE OSTI2023

Pollen and Bio-Soiling in the Southeast U.S.

Typical PV soiling models presume that soiling follows a sawtooth pattern: linear soiling during dry periods followed by abrupt recovery or cleaning during rainfall events. Due to frequency of rainfall in the in the eastern U.S. sawtooth soiling models report near zero soiling losses in this region. Alternatively, through work with system owner/operators per NREL's PVfleet project it has become clear that there are systems in the Southeast that have soiled as high as 10% which are not recovering with regular rainfall. The current hypothesis is that sticky soiling due to pollen or other biological sources is persistent to rainfall removal. Field data and the latest progress towards de-risking bio-soiling will be presented.

photovoltaic↗
DOE OSTI2022

Machine learning models for rat multigeneration reproductive toxicity prediction

Reproductive toxicity is one of the prominent endpoints in the risk assessment of environmental and industrial chemicals. Due to the complexity of the reproductive system, traditional reproductive toxicity testing in animals, especially guideline multigeneration reproductive toxicity studies, take a long time and are expensive. Therefore, machine learning, as a promising alternative approach, should be considered when evaluating the reproductive toxicity of chemicals. We curated rat multigeneration reproductive toxicity testing data of 275 chemicals from ToxRefDB (Toxicity Reference Database) and developed predictive models using seven machine learning algorithms (decision tree, decision forest, random forest, k-nearest neighbors, support vector machine, linear discriminant analysis, and logistic regression). A consensus model was built based on the seven individual models. An external validation set was curated from the COSMOS database and the literature. The performances of individual and consensus models were evaluated using 500 iterations of 5-fold cross-validations and the external validation data set. The balanced accuracy of the models ranged from 58% to 65% in the 5-fold cross-validations and 45%–61% in the external validations. Prediction confidence analysis was conducted to provide additional information for more appropriate applications of the developed models. The impact of our findings is in increasing confidence in machine learning models. We demonstrate the importance of using consensus models for harnessing the benefits of multiple machine learning models (i.e., using redundant systems to check validity of outcomes). While we continue to build upon the models to better characterize weak toxicants, there is current utility in saving resources by being able to screen out strong reproductive toxicants before investing in vivo testing. The modeling approach (machine learning models) is offered for assessing the rat multigeneration reproductive toxicity of chemicals. Our results suggest that machine learning may be a promising alternative approach to evaluate the potential reproductive toxicity of chemicals.

consensus model↗
DOE OSTI2024

Refueling Infrastructure Deployment in Low-Income and Non-Urban Communities

The U.S. National Blueprint for Transportation Decarbonization identifies the need to invest in infrastructure supporting low- and zero-emission vehicles, especially in low-income and overburdened communities, to eliminate nearly all greenhouse gas emissions from the transportation sector by 2050. The alternative fuel vehicle refueling property tax credit (26 U.S. Code § 30C) includes eligibility criteria intended to encourage investment in underserved communities based on the economic characteristics or urban character of the census tract in which the fueling infrastructure is installed. Eligible census tracts are those that qualify for the New Markets Tax Credit or that are not located within urban areas as defined by the U.S. Census Bureau. This study quantifies how many fueling-related amenities are currently located in census tracts that qualify and do not qualify for the 30C tax credit based on IRS Notice 2024-20. For existing electric vehicle charging stations, 51% of Level 2 and 60% of Direct Current Fast Charging public stations are located in eligible census tracts. 73% of natural gas, propane, and hydrogen fueling stations are in qualifying census tracts and 75% of biodiesel and renewable fuel stations are in qualifying census tracts. This compares with 73% of existing gas stations in eligible census tracts. For deploying the refueling infrastructure to satisfy future demand, this study shows that truck stops (94%), commercial truck stops (92%), and Federal Highway alternative fuel corridors (89%) are predominantly located in eligible locations. Additionally, significant percentages of the population (62%), light-duty vehicle registrations (64%), and medium- and heavy-duty vehicle registrations (68%) fall within eligible areas.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

An Intelligent Distributed Ledger Construction Algorithm for IoT

Blockchain is the next generation of secure data management that creates near-immutable decentralized storage. Secure cryptography created a niche for blockchain to provide alternatives to well-known security compromises. However, design bottlenecks with traditional blockchain data structures scale poorly with increased network usage and are extremely computation-intensive. This made the technology difficult to combine with limited devices, like those in Internet of Things networks. In protocols like IOTA, replacement of blockchain's linked-list queue processing with a lightweight dynamic ledger showed remarkable throughput performance increase. However, current stochastic algorithms for ledger construction suffer distinct trade-offs between efficiency and security. This work proposed a machine-learning approach with a multi-arm bandit that resolved these issues and was designed for auditing on limited devices. This algorithm was tested in a reinforcement-learning environment simulating the IOTA ledger's construction with a decision tree. This study showed through regret analysis and experimentation that this approach was secure against impulse manipulation attacks while remaining energy-efficient. Although the IOTA protocol was a pioneer for lightweight distributed ledgers, it is expected that future blockchain protocols will adopt techniques similar to those presented in this work.

multi-arm bandit↗
DOE OSTI2026

A Fluorescence‐Based Transient Expression Assay for the Analysis of Upstream Open Reading Frames in Plants

Upstream open reading frames (uORFs) are regulatory elements present in the 5′ leaders of mRNA that can significantly impact downstream gene expression in eukaryotes. In crop engineering, editing of uORFs can provide an avenue to upregulate expression of native genes without the need to add persistent transgenic copies. Even with genome-wide methods to identify translated uORFs such as ribosome profiling, their functional characterization depends on validation through reporter gene assays and mutagenesis studies. Current screening methods for plants use luciferases or protoplasts to measure differential gene expression between wild-type and mutated transcript leaders, which requires tissue processing and/or substrate addition. Here, we present a time- and cost-efficient alternative to investigate transcript leaders by co-expression of two fluorescent proteins in Nicotiana benthamiana leaf tissue and test our assay on genes involved in photoprotection, editing of which could provide a pathway to increase CO 2 assimilation during sun–shade transitions.

Nicotiana benthamiana↗
DOE OSTI2024

Chalcogen effect on the photovoltaic performance of nonfused-ring small molecular electron acceptors for efficient organic solar cells

Fused-ring electron acceptors (FREAs) are the current working horse for the top performing organic solar cells (OSCs). Nevertheless, these FREAs surfer from high synthetic complexity, production costs and poor scalability, hindering their industrialization. Developing nonfused-ring electron acceptors (NFREAs) is a more feasible alternative solution towards future photovoltaic applications. Here, in this work, a series of NFREAs have been designed and synthesized by introducing chalcogen atoms on the side chains for OSCs. The introduced chalcogen atoms (O, S, and Se) not only modulated the energy levels but also finely tuned the intermolecular interactions. Especially, the formed S···S and Se···Se intermolecular interactions in TTS-4F and TTSe-4F resulted in higher molecular crystallinity than TTO-4F. Unexpectedly, the strong Se···Se interactions also led the aggregation of TTSe-4F and formation of large domains in the PM6:TTSe-4F blend. The moderate S···S interactions in TTS-4F enabled an optimal phase separation with more ideal nano fibrils distributed in the PM6:TTS-4F blend, facilitating the charge separation and transport. As a result, TTS-4F based devices achieved a champion power conversion efficiency (PCE) of 14.74%, higher than the TTO-4F (8.76%) and TTSe-4F (11.56%) based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Wind turbine blade material in the United States: Quantities, costs, and end-of-life options

Wind energy has experienced enormous growth in the past few decades; as a result, there are thousands of wind turbines around the world that will reach the end of their design lifetimes in the coming years. Much of the material in those turbines can be recycled using conventional processes, but the composite material that is the main component of the blades is more challenging to recycle. In the United States, turbine blades may be disposed of in landfills, adding a new solid waste stream to the material already being landfilled. This paper presents a spatially resolved estimate of the mass and volume of wind turbine blade waste in each state by 2050 and compares these amounts to estimates of the remaining landfill capacity by state. In this work, we estimate costs for each stage of the disposal process to indicate cost levels for alternatives. Assuming a 20-year turbine lifetime, the cumulative blade waste in 2050 is approximately 2.2 million tons. This value represents approximately 1% of remaining landfill capacity by volume, or 0.2% by mass. We also find that the current cost of disposing of blades in large segments or through grinding is relatively low in comparison to the overall life-cycle cost of energy. Based on these findings, landfill space constraints and disposal costs appear unlikely to motivate a change in waste handling strategies under current policy conditions. Instead, more profound shifts in recycling technologies, blade materials, or policy may be needed to move towards a circular economy for wind turbine blades.

17 WIND ENERGY↗
DOE OSTI2021

Carbon Dioxide Conversion to Nanomaterials: Methods, Applications, and Challenges

Anthropogenic carbon dioxide (CO 2 ) emission is one of the biggest global threats that we are confronted with in the 21st century. A lack of prompt action to mitigate the atmospheric CO 2 level could lead to global catastrophic events. As a result of the significance of the aforementioned threat, multiple nations have agreed to enact carbon capture, storage, utilization, and sequestration (CCUS) technologies at academic and industrial scales with the aim of lowering the atmospheric CO 2 level. Although there are many reviews on CCUS technologies, there is a lack of comprehensive review on CO 2 conversion to more economically valuable products, such as nanomaterials. Carbon dioxide capture and conversion into nanomaterials is an interesting research topic in many ways because it contributes to our fundamental knowledge of material conversion, provides alternative ways to reduce atmospheric pollution, and yields lucrative products, which has not been explored broadly. Aside from the positive outcomes, we have a moral obligation to rectify a global threat caused by anthropogenic emission. Herein, we present current methods of converting CO 2 into organic and inorganic nanomaterials with a focus on operating conditions and challenges as well as the potential of nanomaterials in specifically biomedical applications as opposed to extensively reviewed energy-related uses. Furthermore, our review emphasizes the toxicity issues related to using such nanomaterials in biological settings based on literature and other comparable studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Grid Forming Inverter: Laboratory-Scale Hardware Test Bed Setup and Weak Grid Operation

In recent times, the concept of grid forming inverters has gained popularity. Grid forming inverters have proven to be a promising alternative to the grid following inverters. In this paper, we present the hardware test bed implementation of grid forming inverter in islanding mode as well as in grid connected mode. The control structure includes inverter-level inner current control and outer voltage control, and plant-level P - f and Q - V droop control. The Q - V droop provides the voltage command, whereas P - f droop provides the frequency command and is also key for the synchronization process. While it is straightforward to set up the test bed for the islanded operation, it is a challenging process to set up the grid-forming inverter in the grid-connected mode. We present the key technologies and demonstrate the start-up process and weak grid operation using the hardware experiment results. Results from EMT model developed in MATLAB/SimPowerSystems are also presented for side-by-side comparison.

Mittal, Ratik↗