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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Hybrid data-driven cement-stabilized soil design: An integration of machine learning, multi-objective optimization, and life cycle assessment

Soil stabilization is crucial in geotechnical engineering, yet conventional methods are often time-consuming, resource-intensive, and environmentally unsustainable. Despite growing interest in Machine Learning (ML) and optimization tools for mix design, few studies integrate these methods with decision-making techniques and environmental assessment to support practical implementation. This study proposes a hybrid data-driven framework for predicting strength, optimizing mix compositions, and evaluating environmental impacts via life cycle assessment of cement-stabilized soft soils. Six ML models were evaluated, and the top-performing eXtreme Gradient Boosting (XGB) model was further improved using the Grey Wolf Optimizer (GWO). The optimized XGB-GWO model, integrated with a polynomial cost function, served as the objective function in a multi-objective optimization problem solved via the Non-Dominated Sorting Genetic Algorithm II (NSGA-II), with final mix selection guided by the entropy-weighted TOPSIS method. Validation through a case study produced mix designs offering superior strength-cost trade-offs, with the optimal mix achieving 2243.2 kPa unconfined compressive strength and a 16.07 % reduction in carbon emissions compared to the highest-cost design. In conclusion, this study offers a sustainable, scalable approach to soil stabilization and supports informed decision-making in construction.

Life cycle assessment↗
DOE OSTI2020

Accurate and efficient description of interacting carriers in quantum nanostructures by selected configuration interaction and perturbation theory

In this paper, we present a method to accurately and efficiently calculate many-body states of interacting carriers in quantum nanostructures based on a combination of iterative selection of configurations and perturbation theory. This method enables investigations of large excitonic complexes and multielectron systems with near full configuration interaction accuracy, even though only a small subspace of the full many-body Hilbert space is sampled, thus saving orders of magnitudes in computational resources. Important advantages of this method are that the convergence is controlled by a single parameter, the threshold, and that ground and excited states can be treated on an equal footing. On the example of InAsP nanowire quantum dots described using a million-atom tight-binding approach, we demonstrate the extreme efficiency of the method by numerical studies of large excitonic complexes filling up to the fourth electronic shell. We find that the method generally converges fast as a function of the threshold, profiting from a significant acceleration due to the perturbative corrections. The role of the choice of single-particle basis states is discussed. It is found that the algorithm converges faster in the Hartree-Fock basis only for highly charged systems, where Coulomb repulsion dominates. Finally, based on the observation that second-order perturbative energy corrections only depend on off-diagonal elements of the many-body Hamiltonian, we present a way to accurately calculate many-body states that requires only a relatively small number of Coulomb matrix elements.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Development of Computational Environmental Microbiome Workflows for the Laboratory and the International Space Station

Identification of microorganisms in the spaceflight environment is critical for crew health risk assessment on the International Space Station (ISS). Since 2017, nanopore sequencing technology has been used to support thein situ identification of microbial species during spaceflight. Beginning in 2018, a culture-independent, swab-to-sequencer method was implemented onboard the ISS to provide a more thorough insight of the ISS microbiome. Eliminating microbial culture enables identification of difficult-to-culture organisms, reduces risks associated with potentially pathogenic cultures, and could significantly reduce the time from sample-to-answer. However, this molecular-based approach generates large metagenomic datasets that require substantial computational resources for analysis. To process nanopore-generated sequencing data, the JSC Microbiology Laboratory established a bioinformatics workflow on Amazon EC2 under the security guidance of the NASA Science Managed Cloud Environment (SMCE).This resource allows for the development, testing, and accessing of computational tools for processing large and complex datasets. The work described here will address the downlinking of data from the ISS, the automated pipeline developed to identify targeted bacterial and fungal organisms, and the time from sampling onboard to microbial identification. The pipelines have been enhanced to address high and low biomass samples using optimization based on sample source (air, water, or surface) and type of collection (filter, colony, or swab).The resulting microbiome data can be assessed beyond microbial identifications to gain understanding toward population changes over time, potential selective environmental pressures, and evaluating correlations with a wide range of additional data sets. Metagenome analysis pipelines in development could allow for simultaneous identification of microbial species, gene function, and gene pathways present in the environment. Beyond the ground processing, the developed analysis pipeline is currently deployed onboard the ISS to allow for near real-time assessments of the ISS microbiome. This study serves as a critical foundation for exploration missions, where rapid microbiome analyses will be required.

G. Marie Sharp↗
DOE OSTI2024

Missing microbial eukaryotes and misleading meta-omic conclusions

Meta-omics is commonly used for large-scale analyses of microbial eukaryotes, including species or taxonomic group distribution mapping, gene catalog construction, and inference on the functional roles and activities of microbial eukaryotes in situ. Here, we explore the potential pitfalls of common approaches to taxonomic annotation of protistan meta-omic datasets. We re-analyze three environmental datasets at three levels of taxonomic hierarchy in order to illustrate the crucial importance of database completeness and curation in enabling accurate environmental interpretation. We show that taxonomic membership of sequence clusters estimates community composition more accurately than returning exact sequence labels, and overlap between clusters can address database shortcomings. Clustering approaches can be applied to diverse environments while continuing to exploit the wealth of annotation data collated in databases, and selecting and evaluating these databases is a critical part of correctly annotating protistan taxonomy in environmental datasets. We argue that ongoing curation of genetic resources is crucial in accurately annotating protists in in situ meta-omic datasets. Moreover, we propose that precise taxonomic annotation of meta-omic data is a clustering problem rather than a feasible alignment problem.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2016

Options for Staging Orbits in Cis-Lunar Space

NASA has been studying options to conduct missions beyond Low Earth Orbit, but within the Earth‐Moon system, in preparation for deep space exploration including human missions to Mars. Referred to as the Proving Ground, this arena of exploration activities will enable the development of human spaceflight systems and operations to satisfy future exploration objectives beyond the cis‐lunar environment. One option being considered includes the deployment of a habitable element or elements, which could be used as a central location for aggregation of supplies and resources for human missions in cis‐lunar space and beyond. Characterizing candidate orbit locations for this asset and the impacts on system design and mission operations is important in the overall assessment of the options being considered. The orbits described in this paper were initially selected by taking advantage of previous studies conducted by NASA and the work of other authors. In this paper orbits are assessed for their relative attractiveness based on various factors. A set of constraints related to the capability of the combined Orion and SLS system to deliver humans and cargo to and from the orbit are evaluated. Deployed assets intended to spend multiple years in the Proving Ground would ideally require minimal station keeping costs to reduce the mass budget allocated to this function. Additional mission design drivers include eclipse frequency, potential for uninterrupted communication with deployed assets, thermal, attitude control, communications, and other operational implications. Also the ability to support potential lunar surface activities and excursion missions beyond Earth‐Moon space is considered. The results of the characterization and evaluation of the selected orbits indicate a Near Rectilinear Orbit (NRO) is an attractive candidate as an aggregation point or staging location for operations. In this paper, the NRO is further described in terms which balance a number of key attributes that favor a variety of mission classes to meet multiple, sometimes competing, constraints.

Martinez, Roland↗
NASA NTRS2022

Local Scale (3-M) Soil Moisture Mapping Using SMAP and Planet Superdove

A capability for mapping meter-level resolution soil moisture with frequent temporal sampling over large regions is essential for quantifying local-scale environmental heterogeneity and eco-hydrologic behavior. However, available surface soil moisture (SSM) products generally involve much coarser grain sizes ranging from 30 m to several 10s of kilometers. Hence a new method is proposed to estimate 3-m resolution SSM using a combination of multi-sensor fusion, machine- learning (ML) and Cumulative Distribution Function (CDF) matching approaches. This method established favorable SSM correspondence between 3-m pixels and overlying 9-km grid cells from overlapping Planet SuperDove (PSD) observations and NASA Soil Moisture Active-Passive (SMAP) mission products. The resulting 3-m SSM predictions showed improved accuracy by reducing ab- solute bias and RMSE by ~0.01 cm3/cm3 over the original SMAP data in relation to in-situ soil moisture measurements for the Australian Yanco region, while preserving the high sampling frequency (1-3 day global revisit) and sensitivity to surface wetness (R 0.865) from SMAP. Heterogeneous soil moisture distributions varying with vegetation biomass gradients and irrigation regimes were generally captured within a selected study area. Further algorithm refinement and implementation for regional applications will allow for improvement in water resources management, precision agriculture, and disaster forecasts and responses.

soil moisture↗
DOE OSTI2021

Dimensionality reduction of the many-body problem using coupled-cluster subsystem flow equations: classical and quantum computing perspective

We discuss reduced-scaling strategies employing recently introduced sub-system embedding sub-algebras coupled-cluster formalism (SES-CC) to describe many-body systems. These strategies utilize properties of the SES-CC formulations where the equations describing certain classes of sub- systems can be integrated into a computational flows composed coupled eigenvalue problems of reduced dimensionality. Additionally, these flows can be defined at the level of the CC Ansatz defined by selected classes of cluster amplitudes, which define the wave function ”memory” of possible partitionings of the many-body system into constituent sub-systems. One of the possible ways of solving these coupled problems is through implementing procedures, where the information is passed between the sub-systems in a self-consistent manner. As a special case, we consider local flow formulations where the so-called local character of correlation effects can be closely related to properties of sub-system embedding sub-algebras employing localized molecular basis. We also generalize flow equations to the time domain and to downfolding methods utilizing double exponential unitary CC Ansatz (DUCC), where reduced dimensionality of constituent sub-problems offer a possibility of efficient utilization of limited quantum resources in modeling realistic systems.

Electron correlation, quantum chemistry, quantum c↗
NASA NTRSDate not supplied

ROCKE-3D 2.0: An Updated General Circulation Model for Simulating the Climates of Rocky Planets

We present the second generation of ROCKE-3D (Resolving Orbital and Climate Keys of Earth and Extraterrestrial Environments with Dynamics), the generalized 3-dimensional General Circulation Model (GCM) for use in Solar System and exoplanetary simulations of rocky planet climates. ROCKE-3D version 2.0 is a descendant of GISS ModelE2.1, the flagship GCM of the NASA Goddard Institute for Space Studies (GISS) used in the most recent Intergovernmental Panel for Climate Change (IPCC) assessment. ROCKE-3D is a continuous effort to expand the capabilities of GISS ModelE to handle a broader range of atmospheric conditions, including different atmospheric planet sizes, gravities, pressures, rotation rates, more diverse chemistries and atmospheric compositions, diverse ocean and land distributions and topographies, and potential basic biosphere functions. We present in this release many more supported configurations which can serve as starting points to simulate terrestrial planets of interest. Two different radiation schemes are supported, the GISS radiation, valid for Earth-like planets, and SOCRATES, which is more generalized but requires more CPU resources. In addition, three different atmospheric compositions are supported, three ocean configurations (prescribed, q-flux, and dynamic), and two resolutions: the medium resolution (4 x 5 degrees in latitude x longitude) used in ROCKE-3D 1.0, and the fine resolution, which has double the resolution in the atmosphere and 4 times the resolution in the ocean. We quantify how the different component choices affect model results, and discuss strengths and limitations of using each component, together with how one can select which component to use. ROCKE-3D is publicly available and tutorial sessions are available for the community, greatly facilitating its use by any interested group.

ROCKE-3D↗
NASA NTRS1992

The real world and lunar base activation scenarios

A lunar base or a network of lunar bases may have highly desirable support functions in a national or international program to explore and settle Mars. In addition, He-3 exported from the Moon could be the basis for providing much of the energy needs of humankind in the twenty-first century. Both technical and managerial issues must be addressed when considering the establishment of a lunar base that can serve the needs of human civilization in space. Many of the technical issues become evident in the consideration of hypothetical scenarios for the activation of a network of lunar bases. Specific and realistic assumptions must be made about the conduct of various types of activities in addition to the general assumptions given above. These activities include landings, crew consumables, power production, crew selection, risk management, habitation, science station placement, base planning, science, agriculture, resource evaluation, readaptation, plant activation and test, storage module landings, resource transport module landings, integrated operations, maintenance, Base 2 activation, and management. The development of scenarios for the activation of a lunar base or network of bases will require close attention to the 'real world' of space operations. That world is defined by the natural environment, available technology, realistic objectives, and common sense.

Schmitt, Harrison H.↗
NASA NTRS1991

A Dynamic Testing Complexity Metric

This paper introduces a dynamic metric that is based on the estimated ability of a program to withstand the effects of injected "semantic mutants" during execution by computing the same function as if the semantic mutants had not been injected. Semantic mutants include: (1) syntactic mutants injected into an executing program and (2) randomly selected values injected into an executing program's internal states. The metric is a function of a program, the method used for injecting these two types of mutants, and the program's input distribution; this metric is found through dynamic executions of the program. A program's ability to withstand the effects of injected semantic mutants by computing the same function when executed is then used as a tool for predicting the difficulty that will be incurred during random testing to reveal the existence of faults, i.e., the metric suggests the likelihood that a program will expose the existence of faults during random testing assuming faults were to exist. If the metric is applied to a module rather than to a program, the metric can be used to guide the allocation of testing resources among a program's modules. In this manner the metric acts as a white-box testing tool for determining where to concentrate testing resources. Index Terms: Revealing ability, random testing, input distribution, program, fault, failure.

Voas, Jeffrey↗
DOE OSTI2026

Structure and sequence evolution in the pennycress ( Thlaspi arvense ) pangenome

Eukaryotic genomes harbor many forms of variation, including nucleotide diversity and structural polymorphisms, which experience natural selection and contribute to genome evolution and biodiversity. Harnessing this variation for agriculture hinges on our ability to detect, quantify, catalog, and deploy genetic diversity. Here, we explore seven complete genomes of the emerging biofuel crop pennycress ( Thlaspi arvense ) drawn from across the species' current genetic diversity to catalog variation in genome structure and content. Across this new pangenome resource, we find contrasting evolutionary modes in different genomic zones. Gene-poor, repeat-rich pericentromeric regions experience frequent rearrangements, including repeated centromere repositioning. By contrast, conserved gene-dense chromosome arms maintain large-scale synteny across accessions even in fast-evolving NOD-like receptor immune genes, where microsynteny breaks down across species, but gene cluster positioning macrosynteny is maintained. Our findings highlight that multiple elements of the genome experience dynamic evolution that conserves functional content on the chromosome scale but allows repositioning and presence–absence variation on a local scale. This diversity is invisible to classical reference-based strategies and highlights the strength and utility of pangenomic resources. These results provide a valuable case study of rapid genomic structural evolution within a species and powerful resources for crop development in an emerging biofuel crop.

Thlaspi arvense↗
NASA NTRS2010

Propulsion System Choices and Their Implications

In defining a space vehicle architecture, the propulsion system and related subsystem choices will have a major influence on achieving the goals and objectives desired. There are many alternatives and the choices made must produce a system that meets the performance requirements, but at the same time also provide the greatest opportunity of reaching all of the required objectives. Recognizing the above, the SPST Functional Requirements subteam has drawn on the knowledge, expertise, and experience of its members, to develop insight that wiIJ effectively aid the architectural concept developer in making the appropriate choices consistent with the architecture goals. This data not only identifies many selected choices, but also, more importantly, presents the collective assessment of this subteam on the "pros" and the "cons" of these choices. The propulsion system choices with their pros and cons are presented in five major groups. A. System Integration Approach. Focused on the requirement for safety, reliability, dependability, maintainability, and low cost. B. Non-Chemical Propulsion. Focused on choice of propulsion type. C. Chemical Propulsion. Focused on propellant choice implications. D. Functional Integration. Focused on the degree of integration of the many propulsive and closely associated functions, and on the choice of the engine combustion power cycle. E. Thermal Management. Focused on propellant tank insulation and integration. Each of these groups is further broken down into subgroups, and at that level the consensus pros and cons are presented. The intended use of this paper is to provide a resource of focused material for architectural concept developers to use in designing new advanced systems including college design classes. It is also a possible source of input material for developing a model for designing and analyzing advanced concepts to help identify focused technology needs and their priorities.

Joyner, Claude R., II↗
NASA NTRS1999

A Second-Generation Volatile Organic Analyzer for the International Space Station

Early in the development of the Crew Health Care System (CHECS) for the International Space Station (ISS), it was recognized that detection of target volatile organic compounds would be a key component of the air monitoring strategy. Experiences during the NASA/Mir program supported the decision to include a real-time volatile organic analyzer (VOA) aboard ISS to help assess the impact of air quality events on crew health and determine the effectiveness of decontamination efforts. Toward this end, a joint development by the Toxicology Laboratory at Johnson Space Center and Graseby Dynamics produced a VOA that has been delivered and is ready for the first 5 years of ISS operation. The first-generation VOA selection criteria included minimizing size, weight, and power consumption while maintaining analytical performance. Measuring available technologies against these criteria, a VOA system based upon gas chromatography/ion mobility spectrometry (GC/IMS) was selected in the mid-90's. However, as NASA looks forward to later-stage ISS operations and to new frontiers such as human exploration of Mars, the ISS VOA (weighing 43 kg and consuming 160 watts) must be replaced by a smaller, less resource-intensive device. This paper will present a possible second-gene ration VOA based upon the same technology as the first-generation unit. Utilizing GC/IMS technology again will permit the instrumental data and experience gained during the initial phase of ISS to be applied to later ISS phases and advanced spacecraft missions. During the past 3 years, efforts to reduce the size of ion mobility spectrometers have been pursued by Graseby Dynamics, the manufacturer of the first-generation VOA. The concept of operation, expected analytical performance, and estimated size of a fully functional second-generation VOA based upon GC/mini-IMS technology will be presented. Furthermore, results of initial laboratory evaluations will be shown.

Limero, Thomas↗
DOE OSTI2023

Design and implementation of I/O performance prediction scheme on HPC systems through large-scale log analysis

Abstract Large-scale high performance computing (HPC) systems typically consist of many thousands of CPUs and storage units used by hundreds to thousands of users simultaneously. Applications from large numbers of users have diverse characteristics, such as varying computation, communication, memory, and I/O intensity. A good understanding of the performance characteristics of each user application is important for job scheduling and resource provisioning. Among these performance characteristics, I/O performance is becoming increasingly important as data sizes rapidly increase and large-scale applications, such as simulation and model training, are widely adopted. However, predicting I/O performance is difficult because I/O systems are shared among all users and involve many layers of software and hardware stack, including the application, network interconnect, operating system, file system, and storage devices. Furthermore, updates to these layers and changes in system management policy can significantly alter the I/O behavior of applications and the entire system. To improve the prediction of the I/O performance on HPC systems, we propose integrating information from several different system logs and developing a regression-based approach to predict the I/O performance. Our proposed scheme can dynamically select the most relevant features from the log entries using various feature selection algorithms and scoring functions, and can automatically select the regression algorithm with the best accuracy for the prediction task. The evaluation results show that our proposed scheme can predict the write performance with up to 90% prediction accuracy and the read performance with up to 99% prediction accuracy using the real logs from the Cori supercomputer system at NERSC.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

Ames Engineering Directorate

The Ames Engineering Directorate is the principal engineering organization supporting aerospace systems and spaceflight projects at NASA's Ames Research Center in California's Silicon Valley. The Directorate supports all phases of engineering and project management for flight and mission projects-from R&D to Close-out-by leveraging the capabilities of multiple divisions and facilities.The Mission Design Center (MDC) has full end-to-end mission design capability with sophisticated analysis and simulation tools in a collaborative concurrent design environment. Services include concept maturity level (CML) maturation, spacecraft design and trades, scientific instruments selection, feasibility assessments, and proposal support and partnerships. The Engineering Systems Division provides robust project management support as well as systems engineering, mechanical and electrical analysis and design, technical authority and project integration support to a variety of programs and projects across NASA centers. The Applied Manufacturing Division turns abstract ideas into tangible hardware for aeronautics, spaceflight and science applications, specializing in fabrication methods and management of complex fabrication projects. The Engineering Evaluation Lab (EEL) provides full satellite or payload environmental testing services including vibration, temperature, humidity, immersion, pressure/altitude, vacuum, high G centrifuge, shock impact testing and the Flight Processing Center (FPC), which includes cleanrooms, bonded stores and flight preparation resources. The Multi-Mission Operations Center (MMOC) is composed of the facilities, networks, IT equipment, software and support services needed by flight projects to effectively and efficiently perform all mission functions, including planning, scheduling, command, telemetry processing and science analysis.

Small Satellites↗
NASA NTRS2015

Options for Staging Orbits in Cis-Lunar Space

NASA has been studying options to conduct missions beyond Low Earth Orbit, but within the Earth-Moon system, in preparation for deep space exploration including human missions to Mars. Referred to as the Proving Ground, this arena of exploration activities will enable the development of human spaceflight systems and operations to satisfy future exploration objectives beyond the cis-lunar environment. One option being considered includes the deployment of a habitable element or elements, which could be used as a central location for aggregation of supplies and resources for human missions in cis-lunar space and beyond. Characterizing candidate orbit locations for this asset and the impacts on system design and mission operations is important in the overall assessment of the options being considered. The orbits described in this paper were initially selected by taking advantage of previous studies conducted by NASA and the work of other authors. In this paper orbits are assessed for their relative attractiveness based on various factors. First, a set of constraints related to the capability of the combined Orion and SLS system to deliver humans and cargo to and from the orbit are evaluated. Second, the ability to support potential lunar surface activities is considered. Finally, deployed assets intended to spend multiple years in the Proving Ground would ideally require minimal station keeping costs to reduce the mass budget allocated to this function. Additional mission design drivers include potential for uninterrupted communication with deployed assets, thermal, communications, and other operational implications. The results of the characterization and evaluation of the selected orbits indicate a Near Rectilinear Orbit (NRO) is an attractive candidate as an aggregation point or staging location for operations. In this paper, the NRO is further described in terms which balance a number of key attributes that favor a variety of mission classes to meet multiple, sometimes competing, constraints.

Whitley, Ryan↗
DOE OSTI2024

Institute for Catalysis in Energy Processes (ICEP) (Final Report)

The Institute for Catalysis in Energy Processes (ICEP) was a multi-PI program located at the Northwestern University Center for Catalysis and Surface Science from 2006-2024. Over several renewal cycles and several organizing themes, ICEP addressed fundamental questions in catalysis science. In turn, the scientific questions addressed were directly relevant to the efficient use of the nation’s resources to produce fuels and commodity chemicals, harness alternate energy sources for chemical reactions such as light or electricity, reduce emissions and waste, and minimize the impact of our use of plastics. Selective oxidation, (oxidative) dehydrogenation, deNOx, CO 2 reduction, hydrogen release, polymer decomposition / depolymerization, and many other reactions of intense interest to the US Department of Energy were studied in the center. Major ICEP strengths were in catalyst synthesis, in measurements that elucidated catalyst properties, in reaction mechanisms and kinetics, and in predictive theory and modeling. ICEP researchers were often the inventors or developers of materials and methods that were brought to bear on the Institute’s catalytic systems. Key characterization tools advanced through this project included resonance Raman and related techniques, sum frequency generation, and X-ray standing wave spectroscopy. Center members relied extensively on computational tools such as density functional theory and microkinetic modeling to fully investigate catalyst structures and catalytic mechanisms. ICEP researchers were early developers of atomic layer deposition (ALD) for catalyst synthesis and were early pioneers of metal organic frameworks for catalysis. ICEP innovations are found in areas of intense research such as single-atom catalysts, catalytic deconstruction of plastics, and catalytic MOFs, to name a few. Research areas initiated by ICEP indirectly led to DOE EFRCs, startup companies, and other achievements. Over its 18 years of existence, ICEP involved two different PIs (Stair and Notestein) and 24 senior investigators across several academic disciplines at Northwestern University. There were tight collaborations with Argonne National Laboratory, including specialized equipment and experiments permanently located there. The center supported ~400 person-years of effort by graduate students and postdocs, either directly through DOE support or indirectly by leveraging independent support provided to the trainees, e.g. through the NSF GRFP or internal fellowships. The project resulted in 328 manuscripts and numerous conference presentations.

36 MATERIALS SCIENCE↗