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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

High-pressure reduction of carbon dioxide in reactive liquid mixtures

Density-functional theory based molecular-dynamics simulations were used to investigate high-pressure chemical reactions in liquid mixtures of CO 2 with several elements (Si, Mn, and Fe) at high temperatures of 2000-3000 K. Our ab initio simulations indicate that these reactant elements can reduce CO 2 to C at high pressures (20 GPa) leading to the formation of C-C chains, with Si by far the most effective carbon-reducing agent. A combined chemical analysis using Bader charge analysis and Crystal Orbital Hamilton Population (COHP) on simulation snapshots shows that significant charge transfer from the reducing element to the C atoms creates instability in the C-O covalent bonds. COHP analysis further shows that Mn/Fe-O and Mn/Fe-C bonding interactions are weaker compared to the Si counterparts. These results further our understanding of the redox chemistry of CO 2 at conditions relevant to planetary mantle interiors and demonstrate the effectiveness of high pressure in the reduction of CO 2 directly to solid carbon.

Ab initio molecular dynamics↗
NASA NTRS2015

Potential Cement Phases in Sedimentary Rocks Drilled by Curiosity at Gale Crater, Mars

The Mars Science Laboratory rover Curiosity has encountered a variety of sedimentary rocks in Gale crater with different grain sizes, diagenetic features, sedimentary structures, and varying degrees of resistance to erosion. Curiosity has drilled three rocks to date and has analyzed the mineralogy, chemical composition, and textures of the samples with the science payload. The drilled rocks are the Sheepbed mudstone at Yellowknife Bay on the plains of Gale crater (John Klein and Cumberland targets), the Dillinger sandstone at the Kimberley on the plains of Gale crater (Windjana target), and a sedimentary unit in the Pahrump Hills in the lowermost rocks at the base of Mt. Sharp (Confidence Hills target). CheMin is the Xray diffractometer on Curiosity, and its data are used to identify and determine the abundance of mineral phases. Secondary phases can tell us about aqueous alteration processes and, thus, can help to elucidate past aqueous environments. Here, we present the secondary mineralogy of the rocks drilled to date as seen by CheMin and discuss past aqueous environments in Gale crater, the potential cementing agents in each rock, and how amorphous materials may play a role in cementing the sediments.

Rampe, E. B.↗
NASA NTRSDate not supplied

AI Curation Methods for NASA Scientific Data

The NASA Open Science Data Repository (OSDR) serves as a central hub for sharing and accessing NASA's vast collection of scientific data, supporting researchers across diverse fields. To enhance the efficiency, accuracy, and accessibility of this data, we are leveraging advanced artificial intelligence (AI) techniques as part of the AI for Curation project. By integrating large language models (LLMs) into our data curation workflow, we aim to streamline the entire process—from data submission to user interaction. This initiative focuses on improving key areas, including data ingestion, curation, and user engagement with curated datasets, impacting multiple domains and a wide user base. First, we are developing tools that can automatically parse data in various formats, using LLMs to convert unstructured data into structured, standardized formats. This reduces the manual effort required for curation, allowing curators to focus on more critical scientific analyses. Additionally, AI and machine learning (ML) models are being implemented to automate data validation and verification, ensuring the highest standards of data quality and reliability. Finally, we are creating a conversational AI agent to interact with the curated scientific studies in OSDR, helping users easily navigate the repository and access relevant data. By enhancing data discoverability and accessibility, these advancements will foster new research opportunities and promote the principles of open science.

Walter Alvarado↗
DOE OSTI2022

In Situ EXAFS-Based Nanothermometry of Heterodimer Nanocrystals under Induction Heating

The ability to heat nanocrystalline materials through magnetic induction has been used in the fields of catalysis, biomedical sciences, and polymer degradation. However, the working temperature to which the inductively coupled material rises is still poorly understood. Herein, we use extended X-ray absorption fine structure spectroscopy in conjunction with thermal imaging to improve the understanding of heating in inductively coupled systems. After extraction of the Debye–Waller factor from the spectroscopy, we obtain the temperature of inductively heated nanocrystals from the correlated Debye model. We combine carbon-supported iron oxide nanocrystals as induction heating agents with platinum nanocrystals as thermal probes. By testing these nanocrystal species as both unattached nanocrystals and heterodimers, we report that nanostructured systems show a significant temperature difference of up to 73.60 °C when compared to their local support environment. Furthermore, this result has implications for inductively heated catalysis, magnetic hyperthermia for targeted cell death, and polymer synthesis.

09 BIOMASS FUELS↗
DOE OSTI2021

Exploratory analysis and performance prediction of big data transfer in High-performance Networks

Big data transfer in large-scale scientific and business applications is increasingly carried out over connections with guaranteed bandwidth provisioned in High-performance Networks (HPNs) via advance bandwidth reservation. Provisioning agents need to carefully schedule data transfer requests, compute network paths, and allocate appropriate bandwidths. Such reserved bandwidths, if not fully utilized, could be simply wasted due to the exclusive access during the approved time window, and cause extra overhead and complexity for resource management. This calls for accurate performance prediction to reserve bandwidths that match actual needs and avoid over-provisioning. We employ machine learning algorithms to predict big data transfer performance based on extensive performance measurements collected in the past several years from data transfer tests using different protocols and toolkits between various end sites on several real-life physical or emulated testbeds. We first analyze the performance patterns in response to a comprehensive list of parameters in end-host systems, network connections, and data transfer applications, which motivate the use of machine learning and also help us identify the effects of latent factors. We then propose threshold- and clustering-based methods to eliminate negative effects of latent factors in data preprocessing and build a robust performance predictor based on customized domain-oriented loss functions. The performance of the proposed methods is verified by extensive experiments using SVR and RFR as well as theoretical analysis of the general performance bound.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Removal of Non-Specifically Bound Proteins Using Rayleigh Waves Generated on ST-Quartz Substrates

Label-free biosensors are plagued by the issue of non-specific protein binding which negatively affects sensing parameters such as sensitivity, selectivity, and limit-of-detection. In the current work, we explore the possibility of using the Rayleigh waves in ST-Quartz devices to efficiently remove non-specifically bound proteins via acoustic streaming. A coupled-field finite element (FE) fluid structure interaction (FSI) model of a surface acoustic wave (SAW) device based on ST-Quartz substrate in contact with a liquid loading was first used to predict trends in forces related to SAW-induced acoustic streaming. Based on model predictions, it is found that the computed SAW body force is sufficient to overcome adhesive forces between particles and a surface while lift and drag forces prevent reattachment for a range of SAW frequencies. We further performed experiments to validate the model predictions and observe that the excitation of Rayleigh SAWs removed non-specifically bound (NSB) antigens and antibodies from sensing and non-sensing regions, while rinsing and blocking agents were ineffective. An amplified RF signal applied to the device input disrupted the specific interactions between antigens and their capture antibody as well. ST-quartz allows propagation of Rayleigh and leaky SH-SAW waves in orthogonal directions. Thus, the results reported here could allow integration of three important biosensor functions on a single chip, i.e., removal of non-specific binding, mixing, and sensing in the liquid phase.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Adaptation of an Ammonia Detecting Paint to Commerical Applications

An ammonia-sensitive coating was developed in feasibility studies sponsored by Lockheed Engineering. The paint comprised a cellulosic binder, a dye, a family of solvents, and plasticizer. The resulting coating formulation proved to be very sensitive to trace levels of Lewis-bases and/or nucleophiles, but was limited to concentrations of approximately 1 ppm and higher. In the months following completion of this Lockheed project, efforts to perfect and optimize the paint formulation continued with internal funding. A unique sensitivity enhancing additive was identified and patented which when applied at concentrations of approximately 10% by weight, transcended the 1 ppm sensitivity barrier to fractional ppb. The paint composition was modified by the addition of certain proprietary agents, which promoted a much more intense yellow color in the coating and enhanced its durability in high-vacuum. Paint preparation is a simple one day procedure that can be completed using conventional equipment. Most of the materials are easily obtained.

Graef, Renee C.↗
NASA NTRSDate not supplied

MAGE: Alleviating Uncertainty in Real-Time Decision-Making as a Function of Problem Complexity

In this paper, we discuss a critical aspect of uncertainty in the operation of complex systems, such as the future air traffic: the ability of agents in the system to arrive at satisfactory decisions and the attendant actions as a function of problem complexity. Intuitively, when the problem complexity is manageable, given an appropriate decision problem formulation and solution tools, an agent (computational or human) has no trouble arriving at a solution that yields good outcomes for the agent and the system. Growing problem complexity results in progressively larger computational problems that may yield suboptimal solutions or even be intractable within required time limits or at all. We propose a measurable representation of complexity in terms of problem tractability and quality of solutions. We also propose a computational scheme, MAGE (Monitor, Anticipate, Guide, Evolve), for detecting approaching transitions from efficient decision-making states to inefficient to unsafe ones, so that operations based on decision-making can be reconfigured to forestall unfavorable transitions, returning to efficient modes when complexity diminishes. Maintaining tractable complexity reduces the uncertainty in the outcomes of decision-making. We describe the general scheme, an outline of MAGE applied to managing airspace complexity, and initial examples of investigating the tractability of problem-solving schemes.

complexity management↗
NASA NTRS1976

Polyphosphazenes - New polymers with inorganic backbone atoms

Unique and useful properties of the class of nonhydrocarbon, nonhalocarbon, nonsilicone polymers known as polyphosphazenes are discussed at length. These polymers, with molecular weights to 4 million (degree of polymerization 15,000), can be fabricated as tubes, fibers, woven fabrics, flexible films, or plates, and many variants are stable to attack by water, bases, aqueous acids, jet fuels, oils, hydraulic fluids, gasoline, or other hydrocarbons. Rubbery polymers with these properties can be fashioned into flexible hose, fuel hose, gaskets, or O-rings. Since they do not provoke clotting reactions in blood, and reveal no carcinogenic effects to date, they are considered for internal prosthetic applications (replacement bone, temporary skin, heart valves), as biodegradable suturing material, as carriers for slow release of drugs, and as carriers for chemotherapeutic agents against cancers.

Allcock, H. R.↗
NASA NTRS2020

Optimal Multi-Agent Search and Rescue Using Potential Field Theory

This paper presents an algorithm for efficient search and rescue using a multi-agent system of vehicles. The algorithm uses an artificial potential field combined with a time-varying reward function for visiting various points within the search area. The reward function is used to weight the attractiveness of these points in the potential field, and collision avoidance terms are used to repel vehicles from each other, which has the additional effect of reducing duplication of searching efforts. The algorithm generates velocity commands in real-time based on communication with the other vehicles. This framework allows vehicles to react in a dynamic environment, which is a significant advantage to simply following a-priori defined trajectories. Simulation results are presented to demonstrate the ability of the algorithm to cover the search area effectively. The algorithm is also compared to an exhaustive lawn-mower search pattern. This comparison is done via a Monte Carlo simulation with randomized target initial conditions and trajectories. The time to find the target improved by 16 and 30% in the mean and median, respectively. Additionally, this paper presents a method for analyzing the upper bound for time to find a target under the potential field guidance algorithm assuming a radially expanding search area.

John R Cooper↗
DOE OSTI2024

Use of Ionic Liquids for Hemp Fiber Degumming

Degumming or retting to remove pectin, lignin, and hemicellulose is a critical step in the production of high-quality hemp fibers. Current technologies, including traditional water or dew retting, as well as chemical, enzymatic, and physical degumming processes, have inherent environmental risks and produce fibers of varying qualities. Herein we explore the use of an ionic liquid (IL) capable of dissolving pectin, lignin, and hemicellulose, but not cellulose, in combination with different oxidating agents to degum hemp. In this study, we observed that treating raw hemp fibers with the IL choline acetate ([Cho][OAc]), alone or in combination with aqueous H 2 O 2 , led to a reduction in the gummy materials and lignin content of the resulting samples of up to 63 and 78%, respectively. More importantly, the high crystallinity and low reduction in tensile strength of the resulting fibers make these novel and relatively simple IL-based processes promising alternatives toward the sustainable preparation of hemp-based materials suitable for use in the textile industry.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2012

Deep Solar Activity Minimum 2007-2009: Solar Wind Properties and Major Effects on the Terrestrial Magnetosphere

We discuss the temporal variations and frequency distributions of solar wind and interplanetary magnetic field parameters during the solar minimum of 2007 - 2009 from measurements returned by the IMPACT and PLASTIC instruments on STEREO-A.We find that the density and total field strength were significantly weaker than in the previous minimum. The Alfven Mach number was higher than typical. This reflects the weakness of magnetohydrodynamic (MHD) forces, and has a direct effect on the solar wind-magnetosphere interactions.We then discuss two major aspects that this weak solar activity had on the magnetosphere, using data from Wind and ground-based observations: i) the dayside contribution to the cross-polar cap potential (CPCP), and ii) the shapes of the magnetopause and bow shock. For i) we find a low interplanetary electric field of 1.3+/-0.9 mV/m and a CPCP of 37.3+/-20.2 kV. The auroral activity is closely correlated to the prevalent stream-stream interactions. We suggest that the Alfven wave trains in the fast streams and Kelvin-Helmholtz instability were the predominant agents mediating the transfer of solar wind momentum and energy to the magnetosphere during this three-year period. For ii) we determine 328 magnetopause and 271 bow shock crossings made by Geotail, Cluster 1, and the THEMIS B and C spacecraft during a three-month interval when the daily averages of the magnetic and kinetic energy densities attained their lowest value during the three years under survey.We use the same numerical approach as in Fairfield's empirical model and compare our findings with three magnetopause models. The stand-off distance of the subsolar magnetopause and bow shock were 11.8 R(sub E) and 14.35 R(sub E), respectively. When comparing with Fairfield's classic result, we find that the subsolar magnetosheath is thinner by approx. 1 R(sub E). This is mainly due to the low dynamic pressure which results in a sunward shift of the magnetopause. The magnetopause is more flared than in Fairfield's model. By contrast the bow shock is less flared, and the latter is the result of weaker MHD forces.

solar minimum↗
NASA NTRSDate not supplied

A Distributed Simulation-to-Flight Framework to Support Investigating Trust/Trustworthiness in Multi-Agent Systems

As autonomous systems continue to grow both in use and complexity, the necessity for robust and extensible simulation-to-flight frameworks is paramount for establishing an effective architecture for autonomous systems. Hardware test flights are time-consuming and cost prohibitive during early system design and development. Simulation environments can be useful tools to accelerate algorithm development and testing. However, transitions from simulation to flight (sim-to-flight) can be challenging, unless systems are designed with this transition in mind and with the necessary capabilities built into the architecture and framework. One of the objectives of Autonomy Teaming and TRAjectories for Complex Trusted Operational Reliability (ATTRACTOR) was to design and develop a distributed mixed-reality simulation environment to begin establishing a basis for certification of autonomous systems via research into trust and trustworthiness. ATTRACTOR’s objective was to construct computational concepts of trustworthiness and justifiable trust in multi-agent autonomous teams, to inform future certification of safety-critical and time-critical autonomous systems in aviation. In this paper, we present an autonomous systems architecture and development framework paired with a persistent distributed modeling and simulation (ModSim) environment for test and evaluation of autonomous systems. They were designed under ATTRACTOR in order to measure and establish trustworthiness and trust in single-and multi-agent human-machine systems whether these machines are fixed-wing general aviation, rotary-wing Unmanned Aerial Vehicles (UAVs), ground rovers, or even spacecraft. The Autonomous Entity Operational Network (AEON) framework enables autonomous system development with an easily extensible collection of libraries and plug-n-play nodes facilitated by the Data Distribution Service (DDS) communication protocol standard. The Baseline Environment for Autonomous Modeling (BEAM) simulation environment is a distributed mixed-reality Unity™-based environment built around the same DDS communication paradigm allowing for easy integration with AEON-based autonomous applications, enabling sim-to-flight with minimal configuration changes. Using AEON and BEAM, source code that runs in simulation ports directly to hardware and has successfully flown in the National Airspace System (NAS) at NASA LaRC many times over the lifetime of ATTRACTOR.

Benjamin N Kelley↗
NASA NTRS2008

Control Architecture for Robotic Agent Command and Sensing

Control Architecture for Robotic Agent Command and Sensing (CARACaS) is a recent product of a continuing effort to develop architectures for controlling either a single autonomous robotic vehicle or multiple cooperating but otherwise autonomous robotic vehicles. CARACaS is potentially applicable to diverse robotic systems that could include aircraft, spacecraft, ground vehicles, surface water vessels, and/or underwater vessels. CARACaS incudes an integral combination of three coupled agents: a dynamic planning engine, a behavior engine, and a perception engine. The perception and dynamic planning en - gines are also coupled with a memory in the form of a world model. CARACaS is intended to satisfy the need for two major capabilities essential for proper functioning of an autonomous robotic system: a capability for deterministic reaction to unanticipated occurrences and a capability for re-planning in the face of changing goals, conditions, or resources. The behavior engine incorporates the multi-agent control architecture, called CAMPOUT, described in An Architecture for Controlling Multiple Robots (NPO-30345), NASA Tech Briefs, Vol. 28, No. 11 (November 2004), page 65. CAMPOUT is used to develop behavior-composition and -coordination mechanisms. Real-time process algebra operators are used to compose a behavior network for any given mission scenario. These operators afford a capability for producing a formally correct kernel of behaviors that guarantee predictable performance. By use of a method based on multi-objective decision theory (MODT), recommendations from multiple behaviors are combined to form a set of control actions that represents their consensus. In this approach, all behaviors contribute simultaneously to the control of the robotic system in a cooperative rather than a competitive manner. This approach guarantees a solution that is good enough with respect to resolution of complex, possibly conflicting goals within the constraints of the mission to be accomplished by the vehicle(s).

Huntsberger, Terrance↗
NASA NTRS2016

Traveling Weather Disturbances in Mars Southern Extratropics: Sway of the Great Impact Basins

As on Earth, between late autumn and early spring on Mars middle and high latitudes within its atmosphere support strong mean thermal contrasts between the equator and poles (i.e. "baroclinicity"). Data collected during the Viking era and observations from both the Mars Global Surveyor (MGS) and Mars Reconnaissance Orbiter (MRO) indicate that this strong baroclinicity supports vigorous, large-scale eastward traveling weather systems (i.e. transient synoptic-period waves). Within a rapidly rotating, differentially heated, shallow atmosphere such as on Earth and Mars, such large-scale, extratropical weather disturbances are critical components of the global circulation. These wave-like disturbances act as agents in the transport of heat and momentum, and moreover generalized tracer quantities (e.g., atmospheric dust, water vapor and water-ice clouds) between low and high latitudes of the planet. The character of large-scale, traveling extratropical synoptic-period disturbances in Mars' southern hemisphere during late winter through early spring is investigated using a high-resolution Mars global climate model (Mars GCM). This global circulation model imposes interactively lifted (and radiatively active) dust based on a threshold value of the instantaneous surface stress. Compared to observations, the model exhibits a reasonable "dust cycle" (i.e. globally averaged, a more dusty atmosphere during southern spring and summer occurs). In contrast to their northern-hemisphere counterparts, southern synoptic-period weather disturbances and accompanying frontal waves have smaller meridional and zonal scales, and are far less intense synoptically. Influences of the zonally asymmetric (i.e. east-west varying) topography on southern large-scale weather disturbances are examined. Simulations that adapt Mars' full topography compared to simulations that utilize synthetic topographies emulating essential large-scale features of the southern middle latitudes indicate that Mars' transient barotropic/baroclinic eddies are significantly influenced by the great impact basins of this hemisphere (e.g., Argyre and Hellas). In addition, the occurrence of a southern storm zone in late winter and early spring is keyed particularly to the western hemisphere via orographic influences arising from the Tharsis highlands, and the Argyre and Hellas impact basins. Geographically localized transient-wave activity diagnostics are constructed that illuminate fundamental differences amongst such simulations and these are described.

Weather disturbances↗
NASA NTRSDate not supplied

Development of Micro Pulse Lidar Network (MPLNET) Level 3 Satellite Validation Products in Advance of the EarthCARE Mission

Assessing the cirrus cloud radiative effect is crucial to establish their feedback on the Earth- atmosphere system. For this reason, cirrus clouds are of paramount importance in climate. Moreover, these tiny ice clouds are the most common cloud gene, continuously covering 30% of the Earth’s surface, peaking to 70% in the tropical and equatorial regions. The same authors, in three different recent studies, assessed the yearly cirrus cloud radiative effects characteristics for different NASA MPLNET permanent observational sites, deployed at different latitudes, e. g. Goddard Space Flight Center, Singapore, and Fairbanks Alaska. The analysis put in evidence that the cirrus cloud can be both cooling or warming agents of the Earth-atmosphere system during the daytime, depending on their latitude. The cirrus clouds are warming agents in equatorial/tropical regions because of the higher averaged solar zenith angle, and become neutral at mid-latitudes. At polar latitudes instead, cirrus clouds become cooling agents because of the lower solar zenith angle. In this analysis instead, using the Fu-Liou-Gu radiative transfer model, we assess how the cirrus cloud radiative effects, both at the top of the atmosphere and surface, changed over twenty years. The analysis is extended also to evaluate also changes in cloud optical depth over the same period. This is unprecedented research, because to our knowledge, no other analysis has been carried out from ground-based measurement for such a long period. As a future perspective, the analysis will be repeated for the different observational sites of the MPLNET lidar network to evaluate cirrus cloud radiative effects at a global scale.

Jasper R. Lewis↗
DOE OSTI2021

Resting time effect on the rheological behavior of cement paste in presence of superplasticizer

Rheology has been widely used to describe the flow properties of fresh cement-based suspensions. Nevertheless, the effect of early hydration product formation on rheology, and the effect of shear on breaking of hydration bonds is not fully understood. Therefore, the characterization of the time-dependency of rheology has become necessary to predict precisely the behavior of concrete during placement. In this paper, variations in the resting time in between rheological tests were imposed to evaluate the effects on the development of internal structure of the mixture using different dispersing agents. Increasing resting time in between measurements mainly enhances viscosity, but the magnitude seems strongly dependent on the dispersant used. However, the effect of the employed procedure, as two procedures were evaluated, seems to have a stronger influence on the time-evolution of the rheological properties than changing the resting time in between measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mechanism of Catalysis by L -Asparaginase

Two bacterial type II L -asparaginases, from Escherichia coli and Dickeya chrysanthemi, have played a critical role for more than 40 years as therapeutic agents against juvenile leukemias and lymphomas. Despite a long history of successful pharmacological applications and the apparent simplicity of the catalytic reaction, controversies still exist regarding major steps of the mechanism. In this report, we provide a detailed description of the reaction catalyzed by E. coli type II L -asparaginase (EcAII). Our model was developed on the basis of new structural and biochemical experiments combined with previously published data. The proposed mechanism is supported by quantum chemistry calculations based on density functional theory. In this work, we provide strong evidence that EcAII catalyzes the reaction according to the double-displacement (ping-pong) mechanism, with formation of a covalent intermediate. Several steps of catalysis by EcAII are unique when compared to reactions catalyzed by other known hydrolytic enzymes. Here, the reaction is initiated by a weak nucleophile, threonine, without direct assistance of a general base, although a distant general base is identified. Furthermore, tetrahedral intermediates formed during the catalytic process are stabilized by a never previously described motif. Although the scheme of the catalytic mechanism was developed only on the basis of data obtained from EcAII and its variants, this novel mechanism of enzymatic hydrolysis could potentially apply to most (and possibly all) L -asparaginases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗