Search NASA⌕ Search

SEARCH · Search NASA

Results for “novel methods”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Simultaneous enhancement of multiple functional properties using evolution-informed protein design

Abstract A major challenge in protein design is to augment existing functional proteins with multiple property enhancements. Altering several properties likely necessitates numerous primary sequence changes, and novel methods are needed to accurately predict combinations of mutations that maintain or enhance function. Models of sequence co-variation (e.g., EVcouplings), which leverage extensive information about various protein properties and activities from homologous protein sequences, have proven effective for many applications including structure determination and mutation effect prediction. We apply EVcouplings to computationally design variants of the model protein TEM-1 β -lactamase. Nearly all the 14 experimentally characterized designs were functional, including one with 84 mutations from the nearest natural homolog. The designs also had large increases in thermostability, increased activity on multiple substrates, and nearly identical structure to the wild type enzyme. This study highlights the efficacy of evolutionary models in guiding large sequence alterations to generate functional diversity for protein design applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Leveraging unlabeled SEM datasets with self-supervised learning for enhanced particle segmentation

Scanning Electron Microscopes (SEMs) are widely used in experimental science laboratories, often requiring cumbersome and repetitive user analysis. Automating SEM image analysis processes is highly desirable to address this challenge. In particle sample analysis, Machine Learning (ML) has emerged as the most effective approach for particle segmentation. However, the time-intensive process of manually annotating thousands of SEM images limits the applicability of supervised learning approaches. Self-Supervised Learning (SSL) offers a promising alternative by enabling knowledge extraction from raw, unlabeled data. This study presents a framework for evaluating SSL techniques in SEM image analysis, focusing on novel methods leveraging the ConvNeXtV2 architecture for particle detection. A dataset comprising 25,000 SEM images is curated to benchmark these proposed SSL methods. The results demonstrate that ConvNeXtV2 models, with varying parameter counts, consistently outperform other techniques in particle detection across different length scales, achieving up to a 34% reduction in relative error compared to established SSL methods. Furthermore, an ablation study explores the relationship between dataset size and SSL performance, providing actionable insights for practitioners regarding model selection and resource efficiency. This research advances the integration of SSL into autonomous analysis pipelines and supports its application in accelerating materials science discovery.

Rettenberger, Luca↗
DOE OSTI2021

Critical adjustment of land mitigation pathways for assessing countries' climate progress

Collective progress towards the Paris Agreement’s temperature targets will be assessed by the Agreement’s Global Stocktake process. Global emission pathways by Integrated Assessment Models (IAMs) are a likely benchmark against which aggregated countries’ greenhouse gas mitigation pledges will be assessed. However, this approach requires comparability, which is currently hampered by a 5 GtCO2yr-1 mismatch between the estimated global land anthropogenic flux of IAMs and countries’ GHG inventories (GHGIs) for 2005-2015. We show that this gap is mostly the result of differences in how the anthropogenic forest sink is defined. Countries define managed forest more broadly than IAMs, and on this larger area typically consider anthropogenic also fluxes due to human-induced environmental change, which IAMs do not include their pathways. Using five IAMs and a dynamic global vegetation model (DGVM), we present and apply a novel method that adjusts IAM results to the countries’ definition, closing the gap with GHGIs at global and regional scale. When expressed in a way compatible with GHGIs, adjusted 1.5°C and well-below 2°C pathways have a cumulative CO2 balance until carbon neutrality that is 110–176 GtCO2 lower than the original IAMs pathways. The use of these country-compatible emission pathways under the Global Stocktake would therefore be essential for an accurate assessment of the collective progress towards the Paris Agreement’s climate goals.

Grassi, Giacomo↗
DOE OSTI2025

Demonstration of Super-X divertor exhaust control for transient heat load management in compact fusion reactors

Nuclear fusion could offer clean, abundant energy. However, managing the power exhausted from the core fusion plasma towards the reactor wall remains a major challenge. This is compounded in emerging compact reactor designs promising more cost-effective pathways towards commercial fusion energy. Alternative Divertor Configurations (ADCs) are a potential solution. In this work, we demonstrate exhaust control in ADCs, employing a novel method to diagnose the neutral gas buffer, which shields the target. Our work on the Mega Ampere Spherical Tokamak Upgrade shows that ADCs tackle key risks and uncertainties for fusion energy. Their highly reduced sensitivity to perturbations enables active exhaust control in otherwise unfeasible situations and facilitates an increased passive absorption of transients, which would otherwise damage the divertor. We observe a strong decoupling of each divertor from other reactor regions, enabling near-independent control of the divertors and core plasma. Our work showcases the real-world benefits of ADCs for effective heat load management in fusion power reactors.

Imaging techniques↗
DOE OSTI2021

Towards validation of combined-accelerated stress testing through failure analysis of polyamide-based photovoltaic backsheets

Abstract Novel methods for advancing reliability testing of photovoltaic (PV) modules and materials have recently been developed. Combined-accelerated stress testing (C-AST) is one such method which has demonstrated reliable reproduction of some field-failures which were not reproducible by standard certification tests. To increase confidence and assist in the development of C-AST, and other new testing protocols, it is important to validate that the failure modes observed and mechanisms induced are representative of those observed in the field, and not the product of unrealistic stress conditions. Here we outline a method using appropriate materials characterization and modelling to validate the failure mechanisms induced in C-AST such that we can increase confidence in the test protocol. The method is demonstrated by applying it to a known cracking failure of a specific polyamide (PA)-based backsheet material. We found that the failure of the PA-based backsheet was a result of a combination of stress factors. Photo-oxidation from ultra-violet (UV) radiation exposure caused a reduction in fracture toughness, which ultimately lead to the cracking failure. We show that the chemical and structural changes observed in the backsheet following C-AST aging were also observed in field-aged samples. These results increase confidence that the conditions applied in C-AST are representative of the field and demonstrates our approach to validating the failure mechanisms induced.

14 SOLAR ENERGY↗
DOE OSTI2021

The potential land requirements and related land use change emissions of solar energy

Although the transition to renewable energies will intensify the global competition for land, the potential impacts driven by solar energy remain unexplored. In this work, the potential solar land requirements and related land use change emissions are computed for the EU, India, Japan and South Korea. A novel method is developed within an integrated assessment model which links socioeconomic, energy, land and climate systems. At 25–80% penetration in the electricity mix of those regions by 2050, we find that solar energy may occupy 0.5–5% of total land. The resulting land cover changes, including indirect effects, will likely cause a net release of carbon ranging from 0 to 50 gCO 2 /kWh, depending on the region, scale of expansion, solar technology efficiency and land management practices in solar parks. Hence, a coordinated planning and regulation of new solar energy infrastructures should be enforced to avoid a significant increase in their life cycle emissions through terrestrial carbon losses.

14 SOLAR ENERGY↗
DOE OSTI2021

Studying information recurrence, gatekeeping, and the role of communities during internet outages in Venezuela

Many authoritarian regimes have taken to censoring internet access in order to stop the spread of misinformation, restrict citizens from discussing certain topics, and prevent mobilization, among other reasons. There are several theories about the effectiveness of censorship. Some suggest that censorship will effectively limit the flow of information, whereas others predict that a backlash will form, resulting in ultimately more discussion about the topic. In this work, we analyze the role of communities and gatekeepers during multiple internet outages in Venezuela in January 2019. First, we measure how critical information (e.g., entities and hashtags) spreads during outages focusing on information recurrence and burstiness within and across language and location communities. We discover that information bursts tend to cross both language and location community boundaries rather than being limited to a single community during several outages. Then we identify users who play central roles and propose a novel method to detect gatekeepers—users who prevent critical information from spreading across communities during outages. We show that bilingual and English-speaking users play more central roles compared to Spanish-speaking users, but users inside and outside Venezuela have similar distribution of centrality. Finally, we measure the differences in social network structure before and after each outage event and discuss its effect on how information spreads. We find that with each outage event social connections tend to get less connected with higher mean shortest path, indicating that the effect of censorship makes it harder for information to spread.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Parallel quantum annealing

Quantum annealers of D-Wave Systems, Inc., offer an efficient way to compute high quality solutions of NP-hard problems. This is done by mapping a problem onto the physical qubits of the quantum chip, from which a solution is obtained after quantum annealing. However, since the connectivity of the physical qubits on the chip is limited, a minor embedding of the problem structure onto the chip is required. In this process, and especially for smaller problems, many qubits will stay unused. We propose a novel method, called parallel quantum annealing, to make better use of available qubits, wherein either the same or several independent problems are solved in the same annealing cycle of a quantum annealer, assuming enough physical qubits are available to embed more than one problem. Although the individual solution quality may be slightly decreased when solving several problems in parallel (as opposed to solving each problem separately), we demonstrate that our method may give dramatic speed-ups in terms of the Time-To-Solution (TTS) metric for solving instances of the Maximum Clique problem when compared to solving each problem sequentially on the quantum annealer. Additionally, we show that solving a single Maximum Clique problem using parallel quantum annealing reduces the TTS significantly.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quantum annealing algorithms for Boolean tensor networks

Abstract Quantum annealers manufactured by D-Wave Systems, Inc., are computational devices capable of finding high-quality heuristic solutions of NP-hard problems. In this contribution, we explore the potential and effectiveness of such quantum annealers for computing Boolean tensor networks. Tensors offer a natural way to model high-dimensional data commonplace in many scientific fields, and representing a binary tensor as a Boolean tensor network is the task of expressing a tensor containing categorical (i.e., $$\{0, 1\}$$ { 0 , 1 } ) values as a product of low dimensional binary tensors. A Boolean tensor network is computed by Boolean tensor decomposition, and it is usually not exact. The aim of such decomposition is to minimize the given distance measure between the high-dimensional input tensor and the product of lower-dimensional (usually three-dimensional) tensors and matrices representing the tensor network. In this paper, we introduce and analyze three general algorithms for Boolean tensor networks: Tucker, Tensor Train, and Hierarchical Tucker networks. The computation of a Boolean tensor network is reduced to a sequence of Boolean matrix factorizations, which we show can be expressed as a quadratic unconstrained binary optimization problem suitable for solving on a quantum annealer. By using a novel method we introduce called parallel quantum annealing, we demonstrate that Boolean tensor’s with up to millions of elements can be decomposed efficiently using a DWave 2000Q quantum annealer.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Edge treatment for spurious mode suppression in thin-film lithium niobate resonators

Abstract Thin-film lithium niobate is an attractive material for RF acoustic devices because of its high electromechanical coupling. However, due to the large coupling and the high anisotropy, thin-film lithium niobate resonators are prone to accidental resonances called spurious modes. These modes compromise the frequency response of the resonators, limiting their use in filter and oscillator applications. In this work, we present a novel method of spurious mode suppression through a special edge treatment etch process. Two thin-film lithium niobate resonators were fabricated, one with smooth sidewalls and one with the edge treatment. It was found that the edge-treated resonators show a weaker spurious mode response. This is potentially a new way to mitigate spurious resonances, a major issue in lithium niobate Lamb wave devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Radiative impact of record-breaking wildfires from integrated ground-based data

The radiative effects of wildfires have been traditionally estimated by models using radiative transfer calculations. Assessment of model-predicted radiative effects commonly involves information on observation-based aerosol optical properties. However, lack or incompleteness of this information for dense plumes generated by intense wildfires reduces substantially the applicability of this assessment. Here we introduce a novel method that provides additional observational constraints for such assessments using widely available ground-based measurements of shortwave and spectrally resolved irradiances and aerosol optical depth (AOD) in the visible and near-infrared spectral ranges. We apply our method to quantify the radiative impact of the record-breaking wildfires that occurred in the Western US in September 2020. For our quantification we use integrated ground-based data collected at the Atmospheric Measurements Laboratory in Richland, Washington, USA with a location frequently downwind of wildfires in the Western US. We demonstrate that remarkably dense plumes generated by these wildfires strongly reduced the solar surface irradiance (up to 70% or 450 Wm -2 for total shortwave flux) and almost completely masked the sun from view due to extremely large AOD (above 10 at 500 nm wavelength). We also demonstrate that the plume-induced radiative impact is comparable in magnitude with those produced by a violent volcano eruption occurred in the Western US in 1980 and continental cumuli.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Advected carbon younger than the sediment fuels microbial metabolism in a pumped deep aquifer

Ever deeper wells are drilled worldwide to pump potable groundwater. Recent studies argue that overpumping compresses clays and releases reactive dissolved organic carbon (DOC), which in turn drives a series of microbial reactions that affect groundwater potability including arsenic concentrations. Here, we use a novel method to measure the radiocarbon ages of microbial RNA to determine the source of reactive or metabolizable DOC and argue against the compression of clays as the sole source of carbon. We show that microbial RNA (5,230; 5,550; 6,250 yr; n = 3 wells), DOC (280-10,800 yr; n = 13), and methane (modern to 6,240 yr; n = 3), from an overpumped deep aquifer in Bangladesh are much younger than the overlying clay layers deposited during the Pleistocene over 12,000 years ago. Mass-balance indicates that at least half of the carbon incorporated into RNA has to come from reactive DOC or methane that is advected downward via vertical recharge. This metabolism of advected organic carbon could have implications for the quality of water pumped from deep aquifers.

Biological and medical sciences↗
DOE OSTI2021

SANS quantification of bound water in water-soluble polymers across multiple concentration regimes

Contrast-variation small-angle neutron scattering (CV-SANS) is a widely used technique for quantifying hydration water in soft matter systems, but it is predominantly applied in the dilute regime or for systems with a well-defined structure factor. Here, CV-SANS was used to quantify the number of hydration water molecules associating with three water-soluble polymers with different critical solution temperatures and types of water–solute interactions in dilute, semidilute, and concentrated solution through the exploration of novel methods of data fitting and analysis. Multiple SANS fitting workflows with varying levels of model assumptions were evaluated and compared to give insight into SANS model selection. These fitting pathways ranged from general, model-free algorithms to more standard form and structure factor fitting. In addition, Monte Carlo bootstrapping was evaluated as a method to estimate parameter uncertainty through simulation of technical replicates. The most robust fitting workflow for dilute solutions was found to be form factor fitting without CV-SANS ( i.e. polymer in 100% D 2 O). For semidilute and concentrated solutions, while the model-free approach can be mathematically defined for CV-SANS data, the addition of a structure factor imposes physical constraints on the optimization problem, suggesting that the optimal fitting pathway should include appropriate form and structure factor models. The measured hydration numbers were consistent with the number of tightly bound water molecules associated with each monomer unit, and the concentration dependence of the hydration number was largely governed by the chemistry-specific interactions between water and polymer. Polymers with weaker water–polymer interactions ( i.e. those with fewer hydration water molecules) were found to have more bound water at higher concentrations than those with stronger water–polymer interactions due to the increase in the number of forced water–polymer contacts in the concentrated system. This SANS-based method to count hydration water molecules can be applied to polymers in any concentration regime, which will lead to improved understanding of water–polymer interactions and their impact on materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Domain state exchange bias in a single layer FeRh thin film formed via low energy ion implantation

Modern spintronics relies heavily on the exchange bias effect to pin the orientation of ferromagnetic layers in magnetic tunnel junctions. The current implementations of exchange bias in magnetic tunnel junctions employ pristine interfaces between antiferromagnetic and ferromagnetic layers. Here we reveal an interfacial exchange bias introduced by a single-step, low-energy ion implantation process in a single layer FeRh thin film. Both 1 keV He + ions and 5 keV Fe + were investigated, their energy selected to ensure the ions would stop within the FeRh film. The ions reduce the metamagnetic transition temperature through defect generation to form a surface layer with ferromagnetic ordering. Temperature dependent magnetism measurements reveal a room temperature exchange bias between the ferromagnetic surface and the antiferromagnetic bulk of ~41 Oe in 5 keV Fe + implanted samples and ~36 Oe for 1 keV He + implanted samples. We directly scrutinize this exchange bias effect in magnetic depth profiles obtained by polarized neutron reflectometry which clearly show a pinned ferromagnetic layer adjacent to the disordered layer created by low energy Fe + ion implantation. These results reveal a novel method to implement exchange bias in an antiferromagnetic layer that can have direct application in the field of spintronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The SRG/eROSITA All-Sky Survey: Exploring halo assembly bias with X-ray-selected superclusters

Numerical simulations indicate that the clustering of dark matter halos is not only dependent on the halo masses but has a secondary dependence on other properties, such as the assembly history of the halo. This phenomenon, known as the halo assembly bias (HAB), has been found mostly on galaxy scales; observational evidence on larger scales is scarce. In this work, we propose a novel method for exploring HAB on cluster scales using large samples of superclusters. Leveraging the largest-ever X-ray galaxy cluster and supercluster samples obtained from the first SRG/eROSITA all-sky survey, we constructed two subsamples of galaxy clusters that consist of supercluster members and isolated clusters, respectively. After correcting for the selection effects on redshift, mass, and survey depth, we computed the excess in the concentration of the intracluster gas of isolated clusters with respect to supercluster members, defined as δc gas ≡ c gas , ISO /c gas , SC –1 , to investigate the environmental effect on the concentration of clusters, a sign of HAB on cluster scales. We find that the average gas mass concentration of isolated clusters is a few percent higher than that of supercluster members, with a maximum significance of 2.8σ. The result for δc gas varies with the overdensity ratio, f, in supercluster identification, cluster mass proxies, and mass and redshift ranges but remains positive in almost all the measurements. We measure slightly larger δc gas when adopting a higher f for supercluster identification. The δc gas is also higher for low-mass and low-redshift clusters. We performed weak lensing analyses to compare the total mass concentration of the two classes and find a similar trend in total mass concentration as obtained from the gas mass concentration. Our results are consistent with the prediction of HAB on cluster scales, where halos located in denser environments are less concentrated; this trend is stronger for halos with lower masses and at lower redshifts. These phenomena can be explained by the fact that clusters in denser environments, such as superclusters, have experienced more mergers than isolated clusters in their assembling history. This work paves the way to explore HAB with X-ray superclusters and demonstrates that large samples of superclusters with X-ray and weak-lensing data can advance our understanding of the evolution of the large-scale structure.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Improving Resilience of Bus Bunching Holding Strategy through a Rolling Horizon Approach

Providing public transportation with quality service is critical to attracting more passengers to the system. However, high-demand routes are prone to the so-called bus bunching -- a tendency of buses to group as a consequence of variations in travel times and demands. Bus holding is applied to overcome this effect. In this study, we present a novel method for bus holding in which the control law is based only on the buses' position using a computationally efficient rolling horizon approach. The method uses similar inputs as linear control approaches while not increasing significantly the computational time. However, the method overcomes key a weakness of the linear control approach thanks to the explicit constraint handling that always ensures the control action effectiveness. Simulation experiments in a validation case and a model-specific for a bus rapid transit line in Curitiba, Brazil showed a reduced holding time and improved resilience, delivering more than 20% reduction in delay time accounting for the on-board and station delays.

33 ADVANCED PROPULSION SYSTEMS↗