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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 145 records · Page 8

Simulation Evaluation of a Large-Scale Implementation of Virtual-Phase Link-Based Model Predictive Control

Traffic congestion is a serious problem in the US, and traffic signal control is one of the effective solutions to congestion. Previous research on model predictive control (MPC)-based traffic signal control showed substantial benefits over conventional methods. This study focused on implementing MPC over a large-scale network with complex intersections and the impact of cycle length, network size, and imperfect state estimation on performances. This study implemented a virtual phase link (VPL)-based model predictive control method which used the number of vehicles in each VPL as input state variables and was suitable for National Electrical Manufacturing Association (NEMA) ring-barrier control. To test the impact of network size, the performance of distributed MPC (36 intersections in the network are divided into five subnetworks) was compared with that of MPC over the full network for a set of cycle lengths. To test the impact of imperfect state estimation, we synthetically infused estimation error and developed two scenarios, MPC-error and MPC-error narrow, which had higher and lower estimation errors, respectively. The performance of these MPC methods was compared with that of the existing time-of-day (TOD) method and an offline method that used Webster's method for split and MULTIBAND for cycle length and offset optimization. Trajectory and linkwise signal performance measures were collected from the simulation to evaluate performance. The distributed MPC method with perfect state estimation had the lowest delay and highest energy efficiency of all the methods. The performance of MPC decreased as the prediction inaccuracy increased. MPC-error had 7% and 11% more delay than MPC-error narrow in the morning and evening peaks, respectively. Overall, simulation results suggest that even with imperfect state estimation, MPC methods will outperform offline methods significantly.

large-scale simulation↗

Design and synthesis of diazirine‐containing dyes for polypropylene fibre: A study on the effect of alkyl chain

Abstract The dyeing of polypropylene fabrics utilising conventional‐disperse dyes often meets poor colour yield and fastness problems, fundamentally caused by the low affinity between dyes and polypropylene fibres. In this article, a new class of hydrophobic reactive dyes that can react with polypropylene were designed using diazirine moiety as a reactive group, azo structure as a chromophore, and an ester group as a linking bridge. The difference among these dyes was the alkyl chain length on the azo chromophore, which was used to fine‐tune the affinity between the dyes and fibre. The structures of the synthesised dyes and intermediates were characterised and confirmed using nuclear magnetic resonance, mass spectrometry, and infrared spectrometry. The absorption and thermal properties of the dyes were also studied to ensure their feasibility for dyeing application. In addition, the diazirine dyes were successfully applied to dye polypropylene fabrics using a two‐step process by dyeing in a non‐aqueous solvent and fixing it under heating. The dyes and polypropylene fibre were demonstrated to react, where the fixation values were in the range 64.5–76.4%. The systematic study of the structure–property relationship demonstrated the positive effect of the alkyl chain in promoting colour yield, however, accompanied by a slightly reduced fixation value. Due to the chemical bonding of the dye molecules to the fibre, the dyed polypropylene fabrics exhibited excellent colour fastness property, making the dyeing technology very promising for future industrial applications.

Guo, Guangluo↗

Flux-Feedback Magnetic-Suspension Actuator

Flux-feedback magnetic-suspension actuator provides magnetic suspension and control forces having linear transfer characteristics between force command and force output over large range of gaps. Hall-effect devices used as sensors for electronic feedback circuit controlling currents flowing in electromagnetic windings to maintain flux linking suspended element at substantially constant value independent of changes in length of gap. Technique provides effective method for maintenance of constant flux density in gap and simpler than previous methods. Applications include magnetic actuators for control of shapes and figures of antennas and of precise segmented reflectors, magnetic suspensions in devices for storage of angular momentum and/or kinetic energy, and systems for control, pointing, and isolation of instruments.

Groom, Nelson J.↗

Flight Testing of a Cryogenic Capillary Pumped Loop

Future space-based cryogenic systems will require enhanced integration flexibility, lower weight reduced parasitic penalties, better vibration isolation, and a variety of other improvements to meet performance goals. Additionally, there is an increasing need to locate cooling sources remotely from cooled components. In the past flexible conductive links were used and worked well in most cases. However, as the transport lengths increase, conductive couplings become heavier and less effective, and must be replaced by higher performance systems. One available option, which can meet many of these future requirements, is the cryogenic capillary pumped loop (CCPL). The development of the CCPL technology started in 1992, following the success of the room temperature CPLS. The extrapolation of CCPL technology to cryogenic temperatures offers many performance benefits, which are not currently within the reach of traditional heat pipes or conductive links. Specific advantages of the CCPL technology pertaining to cryocooler integration include: (1) greater capillary pumping pressure for improved ground testability; (2) improved mechanical isolation; (3) faster diode shutdown and lower reverse heat leaks; (4) tighter control of detector temperature; (5) variable or fixed conductance operation; and (6) ease of integration due to their flexibility. The applications of CCPL technology are numerous. Military and commercial applications include surveillance satellites, earth observing satellites, deep space observation systems, medical devices, and many other cryogenic systems. Over the past few years, several breadboard and prototype CCPLs have been built and ground tested. A prototype CCPL has demonstrated successful operation between 80K and 110K with heat loads between O.5W and 12W using nitrogen as the working fluid, and 35K and 40K with head loads of 0.25W to 3.5W using neon. In order to verify CCPL performance in a microgravity environment, a flight unit, CCPL-5, was tested onboard the Space Shuttle STS-95 in October of 1998 as part of the CRYOTSU Flight Experiment. This flight was the first in-space demonstration of the CCPL. The CCPL-5 utilized nitrogen as the working fluid and operated between 75K and 110K. Flight results indicated excellent performance of the CCPL-5 under zero-G environment The CCPL could start from a supercritical condition in all tests, and the loop operating temperature could be tightly controlled regardless of changes in the heat load and/or the sink temperature. In addition, the loop demonstrated successful operation with a heat load of 0.5W as well as with parasitic heat loads alone. There were no noticeable differences between zero-G and one-G operation.

Ku, Jentung↗

Earth-Space Link Attenuation Estimation via Ground Radar Kdp

A method of predicting attenuation on microwave Earth/spacecraft communication links, over wide areas and under various atmospheric conditions, has been developed. In the area around the ground station locations, a nearly horizontally aimed polarimetric S-band ground radar measures the specific differential phase (Kdp) along the Earth-space path. The specific attenuation along a path of interest is then computed by use of a theoretical model of the relationship between the measured S-band specific differential phase and the specific attenuation at the frequency to be used on the communication link. The model includes effects of rain, wet ice, and other forms of precipitation. The attenuation on the path of interest is then computed by integrating the specific attenuation over the length of the path. This method can be used to determine statistics of signal degradation on Earth/spacecraft communication links. It can also be used to obtain real-time estimates of attenuation along multiple Earth/spacecraft links that are parts of a communication network operating within the radar coverage area, thereby enabling better management of the network through appropriate dynamic routing along the best combination of links.

Bolen, Steven M.↗

Molecular Dynamics Simulation and Theoretical Analysis of Structural Relaxation, Bond Exchange Dynamics, and Glass Transition in Vitrimers

Vitrimers are a class of polymer networks featuring dynamic covalent cross-links that can undergo associative bond exchange. There has been recent interest in these materials due to their promise as recyclable thermosets or self-healing polymers because of the ability of vitrimer networks to rearrange at the molecular level and undergo macroscopic flow. However, the practical use of these materials often occurs in the supercooled regime or glassy state, where the implications of dynamic bonds are complicated by the interplay between slow activated segmental dynamics, cross-link (i.e., bond-exchange) kinetics, and ultimately material properties. Here, in this paper, we combine coarse-grained molecular dynamics simulation and microscopic statistical mechanical theory to understand how cross-linking kinetics affect material dynamics and how this couples to segmental relaxation of the polymeric network strands across a spectrum of length and time scales, especially in the supercooled regime. We characterize the Kuhn segmental alpha relaxation time and bond exchange time for vitrimer systems across various cross-link densities, temperatures, and bond exchange rates. Simulation and theory both exhibit a bending-up behavior for bond exchange time upon cooling, suggesting a coupling between bond exchange dynamics and segmental relaxation that intensifies with faster bond exchange kinetics. We also found bond exchange dynamics have an impact on Kuhn segment alpha relaxation time, which is most significant at higher cross-link densities. Both these effects are most prominent when the bond exchange time is similar to the Kuhn segment alpha relaxation time, and the resulting coupling of these two relaxation processes is tied to both the probability of a free end to find a bonded pair and the time scale of the constraints imposed by the dynamic cross-links. This relationship is reflected by a cross-link dependence of a theoretical parameter which represents the quantitative degree of coupling between bond exchange and segmental dynamics. Overall, the combination of simulation and theory clarifies the intricate interaction between bond kinetics and segmental relaxation and demonstrates the ability to provide molecular-level insights into vitrimer dynamics over a wide temperature range.

dynamic relaxation↗

An inverse vulcanized conductive polymer for Li–S battery cathodes

Polymers with a broad range of properties, structural diversity, and mechanical flexibility have been adopted in all aspects of Li–S batteries. However, currently explored polymers for Li–S cathodes suffer from low conductivity, low S content, and poor cycling performance. In this first-principles study, we theoretically design a new polymer, poly(2-vinyl,1,4-phenylene sulfide), by modifying the conductive poly(1,4-phenylene sulfide) via the vinyl group to enhance its ability to vulcanize with element S. Furthermore, we compare the properties of the experimentally realized sulfur vulcanized polymers via condensation and our designed sulfur vulcanized polymers via crosslinking as Li–S battery cathodes, in terms of gravimetric and specific capacities, as well as structural stability during the lithiation. Overall, we find that our designed polymer possesses better conductivity, higher specific capacity and gravimetric energy density, and better kinetic stability, and restricts the shuttle effect more efficiently than the current experimentally explored one. Also, the cross-linked sulfur compounds can be activated efficiently due to the short transport lengths rather than dissolution in the electrolyte during battery operation. Therefore, we believe our designed polymer cathode is promising for practical applications.

25 ENERGY STORAGE↗

X-ray Spectroscopy of Low-Luminosity Active Galactic Nuclei with XMM

The measurement of black hole masses in nearby galaxies has transformed our understanding of these systems, allowing us to quantify the relevant scales of power, length and time and explore how the activity of black holes is linked to their environments and to the evolution of their host galaxies. In this project, Dr. Tiziana Di Matteo has the primary responsibility for developing and investigating theoretical models for the origin of the X-ray emission observed in low-luminosity AGN. Dr. Di Matteo has been involved in interpreting X-ray data and assessing accretion models throughout the project.

DiMatteo, Tiziana↗

Expandable implant and implant system

An embodiment of the invention includes an expandable implant to endovascularly embolize an anatomical void or malformation, such as an aneurysm. An embodiment is comprised of a chain or linked sequence of expandable polymer foam elements. Another embodiment includes an elongated length of expandable polymer foam coupled to a backbone. Another embodiment includes a system for endovascular delivery of an expandable implant (e.g., shape memory polymer) to embolize an aneurysm. The system may include a microcatheter, a lumen-reducing collar coupled to the distal tip of the microcatheter, a flexible pushing element detachably coupled to an expandable implant, and a flexible tubular sheath inside of which the compressed implant and pushing element are pre-loaded. Other embodiments are described herein.

Wilson, Thomas S.↗

Expandable implant and implant system

An embodiment of the invention includes an expandable implant to endovascularly embolize an anatomical void or malformation, such as an aneurysm. An embodiment is comprised of a chain or linked sequence of expandable polymer foam elements. Another embodiment includes an elongated length of expandable polymer foam coupled to a backbone. Another embodiment includes a system for endovascular delivery of an expandable implant (e.g., shape memory polymer) to embolize an aneurysm. The system may include a microcatheter, a lumen-reducing collar coupled to the distal tip of the microcatheter, a flexible pushing element detachably coupled to an expandable implant, and a flexible tubular sheath inside of which the compressed implant and pushing element are pre-loaded. Other embodiments are described herein.

Wilson, Thomas S.↗

AlphaFold and Structural Mass Spectrometry Enable Interrogations on the Intrinsically Disordered Regions in Cyanobacterial Light-harvesting Complex Phycobilisome

Intrinsically disordered proteins/regions (IDPRs) are a very large and functionally important class of proteins that participate in weak multivalent interactions in protein complexes. They are recalcitrant for interrogations using X-ray crystallography and cryo-EM. The IDPRs observed at the interface of the photosynthetic pigment protein complexes (PPCs) remain much less clear, e.g., the major cyanobacterial light-harvesting complex (PBS) contains an unstructured PB-loop insertion in the phycocyanobilin domain (PB domain) of ApcE (the largest polypeptide in PBS). Here, a joint platform is built to probe such structural domains. This platform is characterized by two-round progressive justifications of in silico models by using the structural mass spectrometry data. First, the AlphaFold-generated 3D structure of the PB domain (containing PB-loop) was justified in the context of PBS. Second, docking the AlphaFold-generated ApcG (a ligand) into the first-step justified structure (a receptor). The final ligand-receptor complex was then subjected to a second-round justification, again, by using unequivocal isotopically-encoded cross-links identified in LC-MS/MS. This work reveals a full-length PB-loop structure modelled in the PBS basal cylinder, free from any spatial conflicts against the other subunits in PBS. The structure of PB domain highlights the close associations of the intrinsically disordered PB-loop with its binding partners in PBS, including ApcG, another IDPR. The PB-loop region involved in the binding of photosystem II (PSII) is also discussed in the context of excitation energy transfer regulation. Finally, this work calls attention to the highly disordered, yet interrogatable interface between the light-harvesting antenna complexes and the reaction centers.

59 BASIC BIOLOGICAL SCIENCES↗

Inter-ligand cross-links determine secondary building unit formation in oligoMOFs

OligoMOFs are a class of metal–organic frameworks (MOFs) that feature ligands covalently cross-linked into oligomers as intrinsic structural components. A recent study has demonstrated that the size and flexibility of the tether moieties can result in the formation of oligoMOFs with different isomeric structures via geometrical distortions in the secondary building unit (SBU). In this work, it is demonstrated that tethered dimeric ligands with slightly different carbon chain lengths can direct the formation of oligoMOFs with SBUs of different structure and nuclearity. Specifically, inter-ligand cross links are used as a sensitive probe of the phase landscape of MOFs with the composition [Zn 2 (R-bdc) 2 (bpy)] (bdc = 1,4-benzenedicarboxylate, bpy = 4,4′-bipyridine), showing that a hexyl tether results in a framework structure identical to MOF-508, based on dinuclear {Zn 2 } “paddlewheel” SBUs, while heptyl and octyl tethers result in a “honeycomb-like” framework structure based on an infinite rod-like Zn 2+ SBU bridged by carboxylate ligands. Furthermore, these results are the first examples of tether length influencing SBU chemistry in MOFs and help understand the interplay between the MOF lattice and the geometric constraints imposed by inter-ligand cross-links in oligoMOFs.

MOFs↗

A modified quadrupole mass spectrometer with custom RF link rods driver for remote operation

A commercial quadrupole residual gas analyzer system has been upgraded for operation at extended cable lengths. Operation inside a vacuum chamber for the standard quadrupole nude head is limited to approximately 2 m from its externally located rf/dc generator because of the detuning of the rf oscillator circuits by the coaxial cable reactance. The advance of long distance remote operation inside a vacuum chamber for distances of 45 and 60 m was made possible without altering the quadrupole's rf/dc generator circuit by employing an rf link to drive the quadrupole rods. Applications of the system have been accomplished for in situ space simulation thermal/vacuum testing of sophisticated payloads.

Tashbar, P. W.↗

dc-free coset codes

A class of block coset codes with disparity and run-length constraints are studied. They are particularly well suited for high-speed optical fiber links and similar channels, where dc-free pulse formats, channel error control, and low-complexity encoder-decoder implementations are required. The codes are derived by partitioning linear block codes. The encoder and decoder structures are the same as those of linear block codes with only slight modifications. A special class of dc-free coset block codes are derived from BCH codes with specified bounds on minimum distance, disparity, and run length. The codes have low disparity levels (a small running digital sum) and good error-correcting capabilities.

Deng, Robert H.↗

Progress in the Development of Mo-Au Transition-Edge Sensors for X-Ray Spectroscopy

X-ray microcalorimeters using transition-edge sensors (TES) show great promise for use in astronomical x-ray spectroscopy. We have obtained very high energy resolution (2.8 electronvolts at 1.5 kiloelectronvolts and 3.7 electronvolts at 3.3 kiloelectronvolts) in a large, isolated TES pixel using a Mo/Au proximity-effect bilayer on a silicon nitride membrane. We will discuss the performance and our characterization of that device. In order to be truly suitable for use behind an x-ray telescope, however, such devices need to be arrayed with a pixel size and focal-plane coverage commensurate with the telescope focal length and spatial resolution. Since this requires fitting the TES and its thermal link, a critical component of each calorimeter pixel, into a far more compact geometry than has previously been investigated, we must study the fundamental scaling laws in pixel optimization. We have designed a photolithography mask that will allow us to probe the range in thermal conductance that can be obtained by perforating the nitride membrane in a narrow perimeter around the sensor. This mask will also show the effects of reducing the TES area. Though we have not yet tested devices of the compact designs, we will present our progress in several of the key processing steps and discuss the parameter space of our intended investigations.

of Magnetic Calorimeters for Applications in X-ray↗

Coupled Modes of North Atlantic Ocean Atmosphere Variability and the Onset of the Little Ice Age

Hydroclimate extremes in North America, Europe, and the Mediterranean are linked to ocean and atmospheric circulation anomalies in the Atlantic, but the limited length of the instrumental record prevents complete identification and characterization of these patterns of covariability especially at decadal to centennial timescales. Here we analyze the coupled patterns of drought variability on either side of the North Atlantic Ocean basin using independent climate field reconstructions spanning the last millennium in order to detect and attribute epochs of coherent basin-wide moisture anomalies to ocean and atmosphere processes. A leading mode of broad-scale moisture variability is characterized by distinct patterns of North Atlantic atmosphere circulation and sea surface temperatures. We infer a negative phase of the North Atlantic Oscillation and colder Atlantic sea surface temperatures in the middle of the 15th century, coincident with weaker solar irradiance and prior to strong volcanic forcing associated with the early Little Ice Age.

Kevin J Anchukaitis↗

Coupled Modes of North Atlantic Ocean Atmosphere Variability and the Onset of the Little Ice Age

Hydroclimate extremes in North America, Europe, and the Mediterranean are linked to ocean and atmospheric circulation anomalies in the Atlantic, but the limited length of the instrumental record prevents complete identification and characterization of these patterns of covariability especially at decadal to centennial timescales. Here we analyze the coupled patterns of drought variability on either side of the North Atlantic Ocean basin using independent climate field reconstructions spanning the last millennium in order to detect and attribute epochs of coherent basinwide moisture anomalies to ocean and atmosphere processes. A leading mode of broadscale moisture variability is characterized by distinct patterns of North Atlantic atmosphere circulation and sea surface temperatures.

Kevin J Anchukaitis↗

A linked-scale coupled model of mass erosion and redistribution in plasma-exposed micro-foam surfaces

Surface evolution due to exposure to harsh environments is of importance in many scientific and technological applications. In plasma-exposed materials, the surface receives charged particles from the plasma, leading to a series of processes that drive the system far from equilibrium and may lead to the severe deterioration of the surface properties. Although surface morphological changes are driven by atomic collisions taking place over picoseconds and nanometers, these processes result in mass loss and redistribution of matter over much larger length and time scales. This necessitates a multi-scale approach capable of capturing the range of processes linking primary atomic collision events with engineering-level surface geometry changes. In this paper, we develop a computational model to simulate the morphological evolution and effective erosion rate of micro-architected tungsten foams during low-energy plasma ion bombardment. Furthermore, the model acts on several length scales, with the energy and angular dependence of the sputtering yield of flat tungsten surfaces determined using the SRIM code based on the binary collision approximation. This information is introduced into a low-fluence, short-term Monte Carlo raytracing model, and further into a high-fluence, long-term particle transport model. In the latter, material particles representing billions of atoms are described in a digitized 3-D representation of the foam structure from X-ray tomography data, and are sputtered off and redeposited using the atomistic information. We show that the redeposition of sputtered atoms leads to partial self-healing in the bottom layers with a sharp reduction in the sputtering coefficient of low density foams, roughly 25% of the solid W value. This is in qualitative agreement with recent experiments on low porosity W structures. At high fluence, the foam structure degrades considerably as there are fewer ligaments available to recapture sputtered atoms and, consequently, the sputtering rate increases again.

36 MATERIALS SCIENCE↗