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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Uncovering fast solid-acid proton conductors based on dynamics of polyanion groups and proton bonding strength

Achieving high proton conductivity in inorganic solids is key for advancing many electrochemical technologies, including low-energy nano-electronics and energy-efficient fuel cells and electrolyzers. A quantitative understanding of the physical traits of a material that regulate proton diffusion is necessary for accelerating the discovery of fast proton conductors. In this work, we have mapped the structural, chemical and dynamic properties of solid acids to the elementary steps of the Grotthuss mechanism of proton diffusion. Our approach combines ab initio molecular dynamics simulations, analysis of phonon spectra and atomic structure calculations. We have identified the donor–hydrogen bond lengths and the acidity of polyanion groups as key descriptors of local proton transfer and the vibrational frequencies of the cation framework as the key descriptor of lattice flexibility. The latter facilitates rotations of polyanion groups and long-range proton migration in solid acid proton conductors. The calculated lattice flexibility also correlates with the experimentally reported superprotonic transition temperatures. Using these descriptors, we have screened the Materials Project database and identified potential solid acid proton conductors with monovalent, divalent and trivalent cations, including Ag + , Sr 2+ , Ba 2+ and Er 3+ cations, which go beyond the traditionally considered monovalent alkali cations (Cs + , Rb + , K + , and NH 4 + ) in solid acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Dynamics and controls working group summary

The technology status of the dynamics and controls discipline as it applies to energy storage wheel systems was evaluated. No problems were identified for which an adequate solution could not be proposed. Design issues that influence control were addressed. The dynamics and control aspects associated with the energy storage system concept and its various constituent parts, and the control tasks attendant to large, manned spacecraft are discussed.

Oglevie, R. E.↗
DOE OSTI2021

Unitary representation of the Poincaré group for classical relativistic dynamics

We give a unitary irreducible representation of the proper Poincaré group that leads to an operational version of the classical relativistic dynamics of a massive spinless particle. Unlike quantum mechanics, in this operational theory there is no uncertainty principle between position and momentum. It will be shown that the theory contains the Koopman–von Neumann formalism as a particular case, and an explicit connection with relativistic Hamiltonian mechanics will be given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1990

Dynamical theory of dense groups of galaxies

It is well known that galaxies associate in groups and clusters. Perhaps 40% of all galaxies are found in groups of 4 to 20 galaxies (e.g., Tully 1987). Although most groups appear to be so loose that the galaxy interactions within them ought to be insignificant, the apparently densest groups, known as compact groups appear so dense when seen in projection onto the plane of the sky that their members often overlap. These groups thus appear as dense as the cores of rich clusters. The most popular catalog of compact groups, compiled by Hickson (1982), includes isolation among its selection critera. Therefore, in comparison with the cores of rich clusters, Hickson's compact groups (HCGs) appear to be the densest isolated regions in the Universe (in galaxies per unit volume), and thus provide in principle a clean laboratory for studying the competition of very strong gravitational interactions. The $64,000 question here is then: Are compact groups really bound systems as dense as they appear? If dense groups indeed exist, then one expects that each of the dynamical processes leading to the interaction of their member galaxies should be greatly enhanced. This leads us to the questions: How stable are dense groups? How do they form? And the related question, fascinating to any theorist: What dynamical processes predominate in dense groups of galaxies? If HCGs are not bound dense systems, but instead 1D change alignments (Mamon 1986, 1987; Walke & Mamon 1989) or 3D transient cores (Rose 1979) within larger looser systems of galaxies, then the relevant question is: How frequent are chance configurations within loose groups? Here, the author answers these last four questions after comparing in some detail the methods used and the results obtained in the different studies of dense groups.

Mamon, Gary A.↗
DOE OSTI2021

Traction-separation response of bilayer graphene interfaces: The role of an intercalated single atomic layer of water molecules and hydroxyl groups

Molecular dynamics simulations of the normal and shear traction-separation response of dry and wet bilayer graphene interfaces were performed. The influence of a single, atomic layer of water molecules sandwiched between graphene layers and hydroxyl functionalization on one or both layers were investigated. Hydroxyl groups provided a shielding effect during normal separation while favoring stick-slip friction under sliding conditions. The single, atomic layer of water molecules confined between hydrophilic and asymmetric hydrophobic/hydrophilic surfaces was found to ease sliding friction. The mechanisms arose from the balance between the attractive and repulsive graphene/water interactions through bridges of single water molecules between the two surfaces and the structure of the water monolayer under confinement for which an out-of-plane water/water hydrogen bond network could not be developed. The single, atomic layer of water molecules reduced the sliding friction the most when both surfaces were hydrophilic and lowered the sliding friction of the asymmetric hydrophobic/hydrophilic interfaces to that when both surfaces were hydrophobic. An optimal hydroxyl surface coverage of less than 10% may exist for efficient water lubrication, with diminishing effect with increasing number of hydroxyl groups. Finally, the findings offer a design strategy for assembling bilayer graphene interfaces with tailored friction and sliding contact properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effects of Ionic Group Distribution on the Structure and Dynamics of Amorphous Polymer Melts

Ionizable groups tethered to a polymer backbone often associate to form ionic clusters, whose features are determined by the balance of the polymer backbone and electrostatics. These assemblies impact the dynamics of the macromolecules and their ability to transport ions. Here, using fully atomistic molecular dynamics (MD) simulations, we investigate the effects of the distribution of ionizable groups along the polymer backbone on cluster characteristics and the resulting impacts on the structure and dynamics of amorphous polymers. Particularly, we probe polystyrene sulfonates (PSS) with random, precise, and block configurations of the SO 3 – sulfonate groups along the backbone with Na + as the counterion. We find that the distribution of the ionic groups affects the shape and distribution of the clusters as well as the internal packing of the ionizable groups in the cluster and the number of unique chains that participate in each cluster, affecting the structure and the dynamics of the polymers. Furthermore, the signature of ionic clusters, observed in the static structure factor S(q) for all three distributions, is significantly more pronounced for the precise and blocky polymers compared to the random one. Remarkably, we find that the local mobility of the polymer segments is not only affected by the number and size of the clusters but also by the number of polymer chains associated with clusters.

36 MATERIALS SCIENCE↗
NASA NTRS2013

Intragroup and Galaxy-linked Diffuse X-ray Emission In Hickson Compact Groups

Isolated compact groups (CGs) of galaxies present a range of dynamical states, group velocity dispersions, and galaxy morphologies with which to study galaxy evolution, particularly the properties of gas both within the galaxies and in the intragroup medium. As part of a large, multiwavelength examination of CGs, we present an archival study of diffuse X-ray emission in a subset of nine Hickson compact groups (HCGs) observed with the Chandra X-Ray Observatory. We find that seven of the groups in our sample exhibit detectable diffuse emission. However, unlike large-scale emission in galaxy clusters, the diffuse features in the majority of the detected groups are linked to the individual galaxies, in the form of both plumes and halos likely as a result of vigourous star formation or activity in the galaxy nucleus, as well as in emission from tidal features. Unlike previous studies from earlier X-ray missions, HCGs 31, 42, 59, and 92 are found to be consistent with the L(sub X-Tau) relationship from clusters within the errors, while HCGs 16 and 31 are consistent with the cluster L(sub X-sigma) relation, though this is likely coincidental given that the hot gas in these two systems is largely due to star formation. We find that L(sub X) increases with decreasing group Hi to dynamical-mass ratio with tentative evidence for a dependence in X-ray luminosity on Hi morphology whereby systems with intragroup Hi indicative of strong interactions are considerably more X-ray luminous than passively evolving groups. We also find a gap in the L(sub X) of groups as a function of the total group specific star formation rate. Our findings suggest that the hot gas in these groups is not in hydrostatic equilibrium and these systems are not low-mass analogs of rich groups or clusters, with the possible exception of HCG 62.

Desjardins, Tyler D.↗
DOE OSTI2021

Effects of interaction strength of associating groups on linear and star polymer dynamics

A small number of associating groups incorporated onto a polymer backbone have dramatic effects on the mobility and viscoelastic response of the macromolecules in melts. These associating groups assemble, driving the formation of clusters, whose lifetime affects the properties of the polymers. In this study, we probe the effects of the interaction strength on the structure and dynamics of two topologies, linear and star polymer melts, and further investigate blends of associative and non-associating polymers using molecular dynamics simulations. Polymer chains of approximately one entanglement length are described by a bead–spring model, and the associating groups are incorporated in the form of interacting beads with an interaction strength between them that is varied from 1 to 20 k B T. We find that, for all melts and blends, interaction of a few k B T between the associating groups drives cluster formation, where the size of the clusters increases with increasing interaction strength. These clusters act as physical crosslinkers, which slow the chain mobility. Blends of chains with and without associating groups macroscopically phase separate for interaction strength between the associating groups of a few k B T and above. For weakly interacting associating groups, the static structure function S(q) is well fit by functional form predicted by the random phase approximation where a clear deviation occurs as phase segregation takes place, providing a quantitative assessment of phase segregation.

36 MATERIALS SCIENCE↗
NASA NTRS2024

Southern Indiana Ecological Conservation: Assessing Canopy Cover Dynamics and Forest Type Groupings in Southern Indiana to Inform Restoration Activities

As human influence continues to negatively impact natural habitats, timely assessment of ecosystem changes and restoration is critical to protect forest health and biodiversity. In our study, we focused on oak-hickory forests in southern Indiana. Oak-hickory forests were the dominant ecosystem dynamic in present-day Indiana for centuries until European colonization, which brought about fire suppression and, eventually, fire exclusion. Anthropogenic fire exclusion in this fire-adapted habitat led to the encroachment of mesic species, such as beech and maple trees. This process, commonly referred to as mesophication, was the focus of our study. Our team performed a feasibility study in using NASA Earth observations to support our end-user partners, Let the Sun Shine In and the US Forest Service, Hoosier National Forest, in their selection of oak-hickory restoration sites. To aid in our analysis of the forest dynamics of southern Indiana, our team used Landsat 5, 8, and 9 imageries, along with other ancillary datasets to create maps to illustrate areas that would most benefit from partners’ forest restoration and management practices. By constructing a Green Vegetation Fraction change map across our 39-year study period (1984-2023) to visualize the change in forest cover and creating a restoration suitability assessment map to reveal sites that met requirements for oak-hickory growth, we provided our partners with suitable site selection for restorative management and found that 3.3% of our entire study area and 4.4% of the Hoosier National Forest were deemed suitable. Our feasibility study benefits southern Indiana restoration by aiding our partners in efficiently selecting sites for prescribed burning, forest thinning, and other restoration management practices.

restoration↗
DOE OSTI2020

Accurate Consensus-based Distributed Averaging with Variable Time Delay in Support of Distributed Secondary Control Algorithms

We report that distributed secondary control has been widely used in hierarchical control structures, where multiple distributed generators (DGs) need to coordinate to regulate system voltage and frequency. In these systems, consensus algorithms determine the average of a group of dynamic states (e.g. voltages measured by a group of DGs). To be useful, consensus algorithms must be computationally efficient, stable and accurate. In practice, numerous practical implementation challenges significantly affect the consensus equilibrium. In this paper, we quantify the accuracy deviations of the distributed average observer algorithms proposed in the literature to demonstrate the problems with the state-of-the-art distributed averaging techniques. A novel approach is proposed that achieves accurate average tracking in the presence of time-varying communication delays among agents. In our implementation, time synchronization of all distributed controllers is enabled by a novel software platform, called Resilient Information Architecture Platform for the Smart Grid (RIAPS). The proposed distributed average observer is implemented on hardware controllers and its effectiveness is validated in a controller hardware-in-the-loop testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Grey-box modeling and application for building energy simulations - A critical review

Grey-box modeling, as one of the three fundamental modeling techniques for building energy models, has many advantages compared with black-box modeling and white-box modeling. Additionally, it has been widely applied to solve problems of building technologies, such as building load estimation, control and optimization, and building-grid integration. However, a thorough review of grey-box modeling is not available. This review study systematically investigated various aspects of grey-box modeling for buildings. First, the fundamental aspects of grey-box modeling are presented, including the theoretical background, modeling of building elements, modeling order, modeling diagram, and order reduction. Second, the detailed modeling approaches are discussed. Third, multiple applications of grey-box modeling are investigated for building energy domain, which are categorized into the following groups: heat dynamics analysis, thermal load estimation, building control and optimization, district/urban scale energy modeling, and building-grid integration. Finally, the available software packages for grey-box modeling are compared. Overall, the challenges of using grey-box modeling can be summarized as follows: (1) the theoretical limitations and assumptions of grey-box modeling are unclear; (2) grey-box model naming convention and structure are confusing; (3) grey-box model creation is vague; (4) suitable applications of grey-box models are unknown; and (5) grey-box models lack unified software solutions for wider adoption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1976

OAST Theme Workshop. Volume 3: Working group summary. 8: Structures, dynamics (M-2). A. Statement. B. Technology needs (form 1). C. Priority assessments (form 2)

A technology program on large space structures was defined to respond to common need perceived for five of the six themes. Greatly expanded power, facilities, and communications/sensing requirements appear to demand a new structures technology for construction in space. Requirements to construct huge structural arrays with precision surfaces in space will need creative research efforts to identify practical structural elements and construction techniques. Requirements for advanced transportation structures were defined to respond to the space transportation theme. Because of the criticality of thermal structures to achieve lower cost transportation systems, renewed emphasis on technology in this area is recommended. A second technology needing renewed emphasis is the area of recovery and landing technology structures to permit full reuse of launch vehicle propulsion elements.

Source record↗
NASA NTRS1992

Dynamical properties of compact groups of galaxies

Radial velocities are presented for 457 galaxies in the 100 Hickson compact groups. More than 84 percent of the galaxies measured have velocities within 1000 km/s of the median velocity in the group. Ninety-two groups have at least three accordant members, and 69 groups have at least four. The radial velocities of these groups range from 1380 to 42,731 km/s with a median of 8889 km/s, corresponding to a median distance of 89/h Mpc. The apparent space density of these systems ranges from 300 to as much as 10 exp 8 sq h/sq Mpc, which exceeds the densities in the centers of rich clusters. The median projected separation between galaxies is 39/h kpc, comparable to the sizes of the galaxies themselves. A significant correlation is found between crossing time and the fraction of gas-rich galaxies in the groups, and a weak anticorrelation is found between crossing time and the luminosity contrast of the first-ranked galaxy.

Hickson, Paul↗