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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Statistical Models of Landscape Pattern and the Effects of Coarse Resolution of Satellite Imagery on Estimation of Area

Analysis of classified satellite imagery was conducted to characterize errors in estimates of area based on coarse resolution satellite imagery which are due to distortions in sizes of small fragments, and to explore the feasibility of correcting for these errors using a statistical modeling approach. Sizes of bodies of open water on ERS-1 SAR and fire scars on Landsat MSS imagery were measured. Statistical analysis of the smaller scars and ponds as observed with this imagery of relatively fine resolution demonstrated that the distribution of the sizes could be modeled by either of two types of statistical distributions - a power distribution related to fractal processes or a simple exponential distribution. Comparison of the distribution of small bum scars as observed with Landsat to the distribution observed with AVHRR showed distortions due to the coarse spatial resolution of AVHRR caused a net overestimation of bum area. This bias was primarily caused by detection in 2 or 3 AVHRR pixels of bums whose true size was on the order of an AVHRR pixel.

Hlavka, Christine A.↗
DOE OSTI2021

Anisotropic Coarse-Grained Model for Conjugated Polymers: Investigations into Solution Morphologies

The optoelectronic properties of conjugated polymers are dictated by the interplay of multiscale structural features, including intrachain dihedrals, interchain pi-pi stacking, and the complex mesoscale morphology. While much is known about the structures of polymers with isotropically interacting monomers, little is known about polymers with strongly anisotropic backbone monomers, a class of materials to which conjugated polymers belong. Fundamental understanding is further complicated when the semiflexible and molecularly heterogeneous nature of conjugated polymers is taken into account. We present an anisotropic coarse-grained (CG) model for conjugated polymers that incorporates key molecular features (monomer anisotropy, intermonomer dihedrals, and side chains). Finally, the model is employed to characterize the single-chain conformational properties of conjugated polymers, revealing a rich temperature-dependent conformational landscape. These studies provide a critical link between CG molecular descriptors and conformational ordering in conjugated polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Real-space observation of the dissociation of a transition metal complex and its concurrent energy redistribution

Mechanistic insights into photodissociation dynamics of transition metal carbonyls, like Fe(CO) 5 , are fundamental for understanding active catalytic intermediates. Although extensively studied, the structural dynamics of these systems remain elusive. Using ultrafast X-ray scattering, we uncover the photochemistry of Fe(CO) 5 in real space and time, observing synchronous oscillations in atomic pair distances, followed by a prompt rotating CO release preferentially in the axial direction. This behavior aligns with simulations, reflecting the interplay between the axial Fe-C distances’ potential energy landscape and non-adiabatic transitions between metal-to-ligand charge-transfer states. Additionally, we characterize a secondary delayed CO release associated with a reduction of Fe-C steady state distances and structural dynamics of the formed Fe(CO) 4 . Our results quantify energy redistribution across vibration, rotation, and translation degrees of freedom, offering a microscopic view of complex structural dynamics, enhancing our grasp on Fe(CO) 5 photodissociation, and advancing our understanding of transition metal catalytic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Radiochemically-supported microbial communities. A potential mechanism for biocolloid production of importance to actinide transport

The work described here revealed the presence of diverse microbial communities located across 19 subsurface sites at the NNSS/NTTR and nearby locations. Overall, the diversity of microorganisms was high for subsurface habitats and variable between sites. As of this writing, preparations are being made to combine the Illumina sequences and 16S rRNA clone libraries with other non-NNSS/NTTR well sites of Southern Nevada Regional Flow System for a publication manuscript describing our very broad landscape scale survey of subsurface microbial diversity. Isolates DRI-13 and DRI-14 remain to be fully characterized and named in accordance with the conventions established by Bergey's Manual of Systematic Bacteriology. In preparation to be published, these microorganisms will be submitted to the American Type Culture Collection (ATCC) and the Deutsche Sammlung von Mikroorganismen und Zellkulturen GmbH (DSMZ).It is anticipated that the data resulting from this study in combination with other data sets that will allow us to produce a number of publications that will be impactful to the subsurface microbiology community.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Reviewing and Exploring the Qualitative Impacts That Different Market and Regulatory Measures Can Have on Encouraging Energy Communities Based on Their Organizational Structure

The emergence of energy communities represents a promising option to democratize the energy system by empowering consumers to take a more active role. This can aid in achieving energy and environmental goals as well as encouraging more equitable distribution of costs and revenues between all parties on the energy system. Despite this potential, energy communities are still a nascent solution, the success of which is heavily influenced by regulations. As a result, there are a wide variety of organizational structures for energy communities at this time. This paper provides a review of the policy landscape in Spain as it relates to energy communities. This work also presents a formalized method for characterizing different energy community structures and provides a qualitative assessment of the impacts of different measures to encourage energy communities with respect to their organizational structure. Findings suggest that many market-focused measures, including wholesale, local flexibility, capacity, and multisector market measures favor larger, more integrated communities, while regulatory, legal, and organizational measures, including peer-to-peer trading, aggregation, and self-consumption favor smaller, more distributed communities. Additionally, when developing policies to encourage the growth of energy communities, policymakers should be cognizant of the progression of policies in the context of the desired outcomes for energy community growth specific to the region or country and its goals.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Requirements and Recommendations for a Physical Attack Characterization Framework

This study seeks to identify existing frameworks or develop requirements and recommendations for a new framework that can consistently characterize physical attacks, analogous to MITRE ATT&CK®. MITRE ATT&CK is widely used across government, research organizations, and the cyber security community to characterize cyber attack tactics, techniques, and procedures (TTPs) in a consistent and commonly understood manner. While physical attack taxonomies, methodologies, and other tools for evaluating physical security do exist, many are sector and/or facility-type specific—and therefore not able to provide comparable scenarios across sectors—or are more focused on security assessment instead of the characterization of attacks themselves. A MITRE ATT&CK analog for physical attacks on critical infrastructure would provide a common language and structure for analysis of physical attacks. Existing attack characterization methodologies do not robustly address cyber-physical security risks. To fully understand a facility’s security needs, it is important to understand the entire vulnerability landscape from both a physical and a cyber perspective. To underscore this need, organizations such as the Cybersecurity and Infrastructure Security Agency (CISA) are calling for a coordinated approach to cyber and physical security, which they refer to as cyber and physical security convergence. A physical attack characterization framework that could be used jointly with MITRE ATT&CK would help support a more robust analysis in support of convergence, enabling the consistent characterization of attacks that utilize both cyber and physical tactics and techniques. This could provide analysts and stakeholders with a clearer understanding of how security mitigations deployed in the physical realm impact security risks in the cyber realm, and vice versa. In this study, the project team evaluates existing physical security taxonomies and methodologies to assess whether an existing method can be used to create a “physical half” of MITRE ATT&CK. This study then provides requirements and recommendations for a framework that can leverage aspects of existing methodologies. The goal of the final framework is for it to be widely adopted and referenced, regardless of critical infrastructure sector, facility type, or facility components. This study also identifies applicable use cases for when and how a framework could be applied across the various critical infrastructure sectors for a variety of attack types or motivations. Through a literature review of existing security-focused methodologies and taxonomies, engagement with relative stakeholders, evaluation of potential physical attack framework use cases, and subsequent identification of requirements, this study identified the following key findings and recommendations: There is a need for a new physical attack characterization framework; A physical attack framework should be interoperable with the MITRE ATT&CK framework; A physical attack framework should be broadly applicable, but with detailed tactics, techniques, and procedures that encompass the entire attack path; A physical attack framework should be based on observed or feasible events; A physical attack framework should adapt features from existing methodologies, frameworks, and taxonomies; A physical attack framework should be owned, overseen, and maintained by one organization.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1999

Measuring Thermal Characteristics of Urban Landscapes

The additional heating of the air over the city is the result of the replacement of naturally vegetated surfaces with those composed of asphalt, concrete, rooftops and other man-made materials. The temperatures of these artificial surfaces can be 20 to 40 C higher than vegetated surfaces. Materials such as asphalt store much of the sun's energy and remains hot long after sunset. This produces a dome of elevated air temperatures 5 to 8 C greater over the city, compared to the air temperatures over adjacent rural areas. This effect is called the "urban heat island". Urban landscapes are a complex mixture of vegetated and nonvegetated surfaces. It is difficult to take enough temperature measurements over a large city area to characterize the complexity of urban radiant surface temperature variability. However, the use of remotely sensed thermal data from airborne scanners are ideal for the task. In a study funded by NASA, a series of flights over Huntsville, Alabama were performed in September 1994 and over Atlanta, Georgia in May 1997. Analysis of thermal energy responses for specific or discrete surfaces typical of the urban landscape (e.g., asphalt, building rooftops, vegetation) requires measurements at a very fine spatial scale (i.e., <15 m) to adequately resolve these surfaces and their attendant thermal energy regimes. Additionally, very fine scale spatial resolution thermal infrared data, such as that obtained from aircraft, are very useful for demonstrating to planning officials, policy makers, and the general populace, what the benefits are of the urban forest in both mitigating the urban heat island effect, in making cities more aesthetically pleasing and more habitable environments, and in overall cooling of the community. In this presentation we will examine the techniques of analyzing remotely sensed data for measuring the effect of various urban surfaces on their contribution to the urban heat island effect.

Luvall, Jeffrey C.↗
DOE OSTI2015

Rapid RNA-ligand interaction analysis through high-information content conformational and stability landscapes

The structure and biological properties of RNAs are a function of changing cellular conditions, but comprehensive, simultaneous investigation of the effect of multiple interacting environmental variables is not easily achieved. We have developed an efficient, high-throughput method to characterize RNA structure and thermodynamic stability as a function of multiplexed solution conditions using Förster resonance energy transfer (FRET). In a single FRET experiment using conventional quantitative PCR instrumentation, 19,400 conditions of MgCl 2 , ligand and temperature are analysed to generate detailed empirical conformational and stability landscapes of the cyclic diguanylate (c-di-GMP) riboswitch. This method allows rapid comparison of RNA structure modulation by cognate and non-cognate ligands. Landscape analysis reveals that kanamycin B stabilizes a non-native, idiosyncratic conformation of the riboswitch that inhibits c-di-GMP binding. Our research demonstrates that allosteric control of folding, rather than direct competition with cognate effectors, is a viable approach for pharmacologically targeting riboswitches and other structured RNA molecules.

biological sciences↗
DOE OSTI2017

Induced polarization restricts the conformational distribution of a light-harvesting molecular triad in the ground state

The light-harvesting molecular triad consisting of carotenoid polyene (C), diaryl-porphyrin (P) and pyrrole-fullerene (C60) is a donor–acceptor molecule capable of absorbing incident light in the visible range. Its ability to convert solar energy to electrical excitation and charge separation energy suggests a great potential in real-world applications. The ensemble of its conformations under ambient conditions varies widely according to its electronic state. In previous work, we applied a non-polarizable model to study the conformational distribution of the molecular triad in the ground and charge separated states. However, due to the lack of polarization, which imparts subtle changes in the charge distribution on atoms, molecular simulations fail to produce accurate average dipole moments. We developed the first polarizable model for a molecular triad to investigate the structural and dynamic properties of a molecular triad in the ground state in an explicit organic solvent, tetrahydrofuran (THF). We performed first-principles electronic structure calculations of the individual components in the triad as well as THF and then fit the partial atomic charges to the electrostatic potential using the i-RESP methodology. We validated these force field parameters by comparing the thermodynamic and dynamic properties obtained from molecular dynamics simulations with those from experiments. We enhanced the sampling of the triad conformations with replica exchange molecular dynamics simulations. We characterized the effects of induced polarization on the structural stability of the triad by analyzing the free energy landscapes constructed with polarizable force fields. Furthermore, by using principal component analysis, we found that the molecular triad conformations adopted a small range of torsional angles with induced polarization. The triad conformation solvated in polar solvent with a polarizable force field qualitatively agrees with that obtained from nuclear magnetic resonance spectroscopy.

Starovoytov, Oleg N.↗
DOE OSTI2025

Harnessing Machine Learning for Agnostic Biodetection

The United States’ current list-based approach to biodefense is limited because it considers only known biological agents. Alternatively, developing and adopting a system based on agent-agnostic signatures would enable detection and characterization of both known and novel agents, thereby engendering greater adaptability in the face of an evolving threat landscape. Machine learning (ML) could aid in such a transition, as it can recognize and encode highly complex patterns from multiple input data modalities and has already demonstrated success in many healthcare and defense applications. Functionalizing ML for environmental biodetection requires understanding current technical capabilities. In this article, we provide a systematic review of existing ML platforms and discuss anticipated development efforts needed to achieve effective ML-enabled, agnostic biodetection.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Nucleation, growth, and superlattice formation of nanocrystals observed in liquid cell transmission electron microscopy

This work reviews the advancements and prospects of liquid cell transmission electron microscopy (TEM) imaging and analysis methods in understanding the nucleation, growth, etching, and assembly dynamics of nanocrystals. The bonding of atoms into nanoscale crystallites produces materials with nonadditive properties unique to their size and geometry. The recent application of in situ liquid cell TEM to nanocrystal development has initiated a paradigm shift, (1) from trial-and-error synthesis to a mechanistic understanding of the “synthetic reactions” responsible for the emergence of crystallites from a disordered soup of reactive species (e.g., ions, atoms, molecules) and shape-defined growth or etching; and (2) from post-processing characterization of the nanocrystals’ superlattice assemblies to in situ imaging and mapping of the fundamental interactions and energy landscape governing their collective phase behaviors. Imaging nanocrystal formation and assembly processes on the single-particle level in solution immediately impacts many existing fields, including materials science, nanochemistry, colloidal science, biology, environmental science, electrochemistry, mineralization, soft condensed-matter physics, and device fabrication.

36 MATERIALS SCIENCE↗
NASA NTRS2015

Structural Dynamics of Tropical Moist Forest Gaps

Gap phase dynamics are the dominant mode of forest turnover in tropical forests. However, gap processes are infrequently studied at the landscape scale. Airborne lidar data offer detailed information on three-dimensional forest structure, providing a means to characterize fine-scale (1 m) processes in tropical forests over large areas. Lidar-based estimates of forest structure (top down) differ from traditional field measurements (bottom up), and necessitate clear-cut definitions unencumbered by the wisdom of a field observer. We offer a new definition of a forest gap that is driven by forest dynamics and consistent with precise ranging measurements from airborne lidar data and tall, multi-layered tropical forest structure. We used 1000 ha of multi-temporal lidar data (2008, 2012) at two sites, the Tapajos National Forest and Ducke Reserve, to study gap dynamics in the Brazilian Amazon. Here, we identified dynamic gaps as contiguous areas of significant growth, that correspond to areas greater than 10 sq m, with height less than 10 m. Applying the dynamic definition at both sites, we found over twice as much area in gap at Tapajos National Forest (4.8%) as compared to Ducke Reserve (2.0%). On average, gaps were smaller at Ducke Reserve and closed slightly more rapidly, with estimated height gains of 1.2 m y-1 versus 1.1 m y-1 at Tapajos. At the Tapajos site, height growth in gap centers was greater than the average height gain in gaps (1.3 m y-1 versus 1.1 m y-1). Rates of height growth between lidar acquisitions reflect the interplay between gap edge mortality, horizontal ingrowth and gap size at the two sites. We estimated that approximately 10% of gap area closed via horizontal ingrowth at Ducke Reserve as opposed to 6% at Tapajos National Forest. Height loss (interpreted as repeat damage and/or mortality) and horizontal ingrowth accounted for similar proportions of gap area at Ducke Reserve (13% and 10%, respectively). At Tapajos, height loss had a much stronger signal (23% versus 6%) within gaps. Both sites demonstrate limited gap contagiousness defined by an increase in the likelihood of mortality in the immediate vicinity ((is) approximately 6 m) of existing gaps.

Structural Dynamics of Tropical Moist Forest Gaps↗
DOE OSTI2013

Charting an Inflationary Landscape with Random Matrix Theory

We construct a class of random potentials for N >> 1 scalar fields using non-equilibrium random matrix theory, and then characterize multifield inflation in this setting. By stipulating that the Hessian matrices in adjacent coordinate patches are related by Dyson Brownian motion, we define the potential in the vicinity of a trajectory. This method remains computationally efficient at large N, permitting us to study much larger systems than has been possible with other constructions. We illustrate the utility of our approach with a numerical study of inflation in systems with up to 100 coupled scalar fields. A significant finding is that eigenvalue repulsion sharply reduces the duration of inflation near a critical point of the potential: even if the curvature of the potential is fine-tuned to be small at the critical point, small cross-couplings in the Hessian cause the curvature to grow in the neighborhood of the critical point.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

A fingerprint based metric for measuring similarities of crystalline structures

Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordinates of the atoms, which are generally used to describe periodic systems, are quantities not directly suitable as fingerprints to distinguish structures. Based on a characterization of the local environment of all atoms in a cell, we introduce crystal fingerprints that can be calculated easily and define configurational distances between crystalline structures that satisfy the mathematical properties of a metric. This distance between two configurations is a measure of their similarity/dissimilarity and it allows in particular to distinguish structures. The new method can be a useful tool within various energy landscape exploration schemes, such as minima hopping, random search, swarm intelligence algorithms, and high-throughput screenings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

A Historical Evaluation of the U16a Tunnel, Nevada National Security Site, Nye County, Nevada Volume 1

This report presents a historical evaluation of the U16a Tunnel on the Nevada National Security Site in southern Nevada. The work was conducted by the Desert Research Institute at the request of the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office and the U.S. Department of Defense, Defense Threat Reduction Agency. The U16a Tunnel was used for underground nuclear weapons effects tests in Shoshone Mountain in Area 16 of the Nevada National Security Site. Six nuclear tests were conducted in the U16a Tunnel from 1962 to 1971. These tests are Marshmallow, Gum Drop, Double Play, Ming Vase, Diamond Dust, and Diamond Mine. The U.S. Department of Defense Threat Reduction Agency, with participation from Lawrence Livermore National Laboratory and Las Alamos National Laboratory, sponsored the tests. Fifteen high explosives tests were also conducted at the tunnel. Two were calibration tests during nuclear testing and the remaining were U.S. Department of Defense, Defense Threat Reduction Agency tunnel defeat tests. The U16a Tunnel complex is on the top and slopes of Shoshone Mountain, encompassing an area of approximately 16.7 hectares (41.1 acres). Major modifications to the landscape are a result of three principal activities, road construction and maintenance, mining activities related to development of the tunnel complex, and site preparation for activities related to testing. Forty-seven cultural features were recorded at the portal and on the slopes of Shoshone Mountain. At the portal area, features relate to the mining, construction, testing, and general every day operational support activities within the tunnel. These include concrete foundations for buildings, equipment pads, and rail lines. Features on the slopes above the tunnel relate to tunnel ventilation, borehole drilling, and data recording. Feature types include soil-covered bunkers, concrete foundations, instrument cable holes, drill holes, and ventilation shafts. The U16a Tunnel complex is eligible to the National Register of Historic Places under criteria a and c, consideration g of 36 CFR Part 60.4 as a historic landscape. Scientific research conducted at the tunnel has made significant contributions to the broad patterns of our history, particularly in regard to the Cold War era that was characterized by competing social, economic, and political ideologies between the former Soviet Union and the United States. The tunnel also possesses distinctive construction and engineering methods for conducting underground nuclear tests. The Desert Research Institute recommends that the U16a Tunnel area be left in place in its current condition and that the U16a Tunnel historic landscape be included in the Nevada National Security Site monitoring program and monitored on a regular basis.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

A Historical Evaluation of the U16a Tunnel, Nevada National Security Site, Nye County, Nevada Volume 2

This report presents a historical evaluation of the U16a Tunnel on the Nevada National Security Site in southern Nevada. The work was conducted by the Desert Research Institute at the request of the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office and the U.S. Department of Defense, Defense Threat Reduction Agency. The U16a Tunnel was used for underground nuclear weapons effects tests in Shoshone Mountain in Area 16 of the Nevada National Security Site. Six nuclear tests were conducted in the U16a Tunnel from 1962 to 1971. These tests are Marshmallow, Gum Drop, Double Play, Ming Vase, Diamond Dust, and Diamond Mine. The U.S. Department of Defense Threat Reduction Agency, with participation from Lawrence Livermore National Laboratory and Las Alamos National Laboratory, sponsored the tests. Fifteen high explosives tests were also conducted at the tunnel. Two were calibration tests during nuclear testing and the remaining were U.S. Department of Defense, Defense Threat Reduction Agency tunnel defeat tests. The U16a Tunnel complex is on the top and slopes of Shoshone Mountain, encompassing an area of approximately 16.7 hectares (41.1 acres). Major modifications to the landscape are a result of three principal activities, road construction and maintenance, mining activities related to development of the tunnel complex, and site preparation for activities related to testing. Forty-seven cultural features were recorded at the portal and on the slopes of Shoshone Mountain. At the portal area, features relate to the mining, construction, testing, and general every day operational support activities within the tunnel. These include concrete foundations for buildings, equipment pads, and rail lines. Features on the slopes above the tunnel relate to tunnel ventilation, borehole drilling, and data recording. Feature types include soil-covered bunkers, concrete foundations, instrument cable holes, drill holes, and ventilation shafts. The U16a Tunnel complex is eligible to the National Register of Historic Places under criteria a and c, consideration g of 36 CFR Part 60.4 as a historic landscape. Scientific research conducted at the tunnel has made significant contributions to the broad patterns of our history, particularly in regard to the Cold War era that was characterized by competing social, economic, and political ideologies between the former Soviet Union and the United States. The tunnel also possesses distinctive construction and engineering methods for conducting underground nuclear tests. The Desert Research Institute recommends that the U16a Tunnel area be left in place in its current condition and that the U16a Tunnel historic landscape be included in the Nevada National Security Site monitoring program and monitored on a regular basis.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2019

Characterizing Early Damage Evolution in CMCs

Silicon carbide / silicon carbide ceramic matrix composites (SiC/SiC CMCs) are structural ceramics that are well-suited for the extreme environment conditions of space and aerospace applications largely due to their low weight, creep resistance, damage tolerance, and high specific strength. In CMCs, the initiation and accumulation of damage depends on characteristics of the constituent landscape including porosity, interfacial properties, and geometric distribution of CMC constituents. In order to accurately predict the lifetimes of these advanced composites, it is critical to understand the evolution of damage and to characterize which early damage mechanisms subsequently lead to crack coalescence and macroscopic failure. In this study, SiC/SiC minicomposites are characterized through an experimental approach combining acoustic emission (AE) with tensile testing in-SEM (scanning electron microscope), in order to examine early damage initiation (below the proportional limit) and its evolution at room temperature. The approach provides insight into the relative activity of early damage mechanisms in CMCs at both the surface and subsurface levels and sheds light on the impact of fabrication choices on the evolution of damage to final failure. The potential application of this combined approach towards the characterization of damage in SiC/SiC CMCs under more complex testing conditions will also be discussed.

damage evolution↗