Charge Separation and Charge Transfer in the Low-Lying Excited States of Pentacene
Not provided.
Chemistry↗
SEARCH · Engineering Papers
Results for “separation science”
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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Topological Effects Near Order–Disorder Transitions in Symmetric Diblock Copolymer Melts
The effects of polymer chain topology on the order–disorder transition of symmetric AB diblock copolymer melts are studied using coarse-grained molecular dynamics simulations. Specifically, we compared chain conformations near the lamellar-disordered transition in melts of symmetric (i.e., 50–50) AB diblock copolymers of linear chains, rings, and trefoil knots at the same chain lengths. The order (lamellar)–disorder transition temperature and the domain sizes both shifted to lower values with the introduction of topological constraints, leading to the following sequence: linear chains > rings > trefoil knots. Furthermore, investigation of the polymer chain conformations in terms of their radii of gyration, their writhe values (a measure for the degree of intertwining of a chain around itself), and their Jones polynomials (a method to measure entanglement of curves) showed that linear chains and rings remained stretched, while knots were stretched and tightened in disordered melts close to the lamellar-disorder transition. This work highlights chain topology as an important factor in affecting microphase separation in block copolymers.
36 MATERIALS SCIENCE↗
Computer Simulations Show That Liquid–Liquid Phase Separation Enhances Self-Assembly
Not provided.
Chemistry↗
In crystallo observation of three metal ion promoted DNA polymerase misincorporation
Error-free replication of DNA is essential for life. Despite the proofreading capability of several polymerases, intrinsic polymerase fidelity is in general much higher than what base-pairing energies can provide. Although researchers have investigated this long-standing question with kinetics, structural determination, and computational simulations, the structural factors that dictate polymerase fidelity are not fully resolved. Time-resolved crystallography has elucidated correct nucleotide incorporation and established a three-metal-ion-dependent catalytic mechanism for polymerases. Using X-ray time-resolved crystallography, we visualize the complete DNA misincorporation process catalyzed by DNA polymerase η. The resulting molecular snapshots suggest primer 3´-OH alignment mediated by A-site metal ion binding is the key step in substrate discrimination. Moreover, we observe that C-site metal ion binding preceded the nucleotidyl transfer reaction and demonstrate that the C-site metal ion is strictly required for misincorporation. Our results highlight the essential but separate roles of the three metal ions in DNA synthesis.
59 BASIC BIOLOGICAL SCIENCES↗
Evolution of single gyroid photonic crystals in bird feathers
Vivid, saturated structural colors are conspicuous and important features of many animals. A rich diversity of three-dimensional periodic photonic nanostructures is found in the chitinaceous exoskeletons of invertebrates. Three-dimensional photonic nanostructures have been described in bird feathers, but they are typically quasi-ordered. Here, we report bicontinuous single gyroid β-keratin and air photonic crystal networks in the feather barbs of blue-winged leafbirds ( Chloropsis cochinchinensis sensu lato ), which have evolved from ancestral quasi-ordered channel-type nanostructures. Self-assembled avian photonic crystals may serve as inspiration for multifunctional applications, as they suggest efficient, alternative routes to single gyroid synthesis at optical length scales, which has been experimentally elusive.
59 BASIC BIOLOGICAL SCIENCES↗
Cell Cycle-Dependent Recruitment of FtsN to the Divisome in Escherichia coli
Cell division in Escherichia coli starts with the formation of an FtsZ protofilament network at midcell, the Z ring. However, only after a considerable lag period does the cell start to form a midcell constriction. The onset of constriction depends upon the arrival of so-called late divisome proteins, among which, FtsN is the last essential one. The timing and dependency of FtsN arrival to the divisome, along with genetic evidence, suggests it triggers cell division. In this study, we used high-throughput fluorescence microscopy to determine the arrival of FtsN and the early divisome protein ZapA to midcell at a single-cell level during the cell cycle. Our data show while the recruitment of ZapA/FtsZ is gradual in the cell cycle, recruitment of FtsN is rapid and begins at about the onset of constriction. At this time, the fraction of ZapA/FtsZ in the Z ring approaches its peak value. We also find a second increase in FtsN recruitment to the divisome, which begins once the amount of ZapA/FtsZ at midcell starts decreasing. Increasing hypermorphic FtsA* (FtsA R286W), but not FtsA, accelerates FtsN recruitment but not constriction. This finding is consistent with FtsA* recruiting FtsN with some other divisome component being rate-limiting for constriction under these conditions. Finally, our data support the recently proposed idea that ZapA/FtsZ and FtsN are part of physically separate complexes in midcell throughout the whole septation process.
59 BASIC BIOLOGICAL SCIENCES↗
Advanced Thin Film Core Technology: CIGS Final Technical Report (FTR)
Cu(In,Ga)Se 2 (CIGS) thin-film photovoltaics are a high-efficiency and reliable technology. This project completed research in two important areas and was designed to work collaboratively with industrial partners. Task 1: Alkali Science focused on alkali post-deposition treatments (PDT). PDTs have been instrumental in the dramatic voltage improvements that have moved CIGS device efficiencies from 20% to 23.35% [1]. Based on a survey of CIGS companies at the beginning of the project, the single biggest breakthrough for the CIGS community would be a mechanistic understanding of the role of alkalis in the material system. Significant accomplishments of Task 1: Alkali Science: 1) KF post-deposition treatments were shown to improve lifetime, open-circuit voltage (VOC), and efficiency of industrial partner samples, even when done as a later step, separate from the original CIGS deposition. 2) KF boosted efficiency when incorporated at the end of the third stage of NREL CIGS growth. 3) XPS characterization of CIGS surfaces with and without PDTs led to a proposed mechanism whereby K drives structural transformation at 350 degrees C that is locked in at room temperature even after K is rinsed away. 4) Published recipes for KF and RbF PDTs. Literature to date did not provide enough detail to quickly reproduce experimental results. 5) Identified most important parameters (RbF cell temperature and lamp setpoint temperature) and set boundaries for successful RbF PDTs. The purpose of Task 2: Cell-level Reliability was to overcome the largest challenges to investor confidence and long product lifetime in CIGS-based photovoltaic products: metastability, shading-induced hot spots, and potential-induced degradation (PID). Key findings were made in each of these areas by studying CIGS reliability at the cell level: 1) Published NREL's cell-level reliability testing procedures along with challenges that were encountered while developing them. These were also distributed to the community through an MRS conference presentation. 2) Decreased metastability by adding a CdS hole-injection layer between the CIGS and Zn(O,S) in the device stack. It also improved device performance. Materials other than CdS can be used for the same purpose. 3) Reduced front-glass PID by replacing soda-lime glass with low-Na borosilicate glass. 4) Found that PID depends on leakage current and light/electrical bias. This will help labs avoid test-specific degradation. 5) Discovered that CIGS can suffer from two different types of PID with different mechanisms. Front is slower and leads to shunting ZnO. Back is faster and degrades the p-n junction. 6) Holding cells at open circuit slows PID compared to short circuit. This affects testing protocols for glass/glass modules.
14 SOLAR ENERGY↗
SPRUCE Plot-Level Water Table Data Assessments for Absolute Elevations and Height with Respect to Mean Hollows Beginning in 2015
This data set provides a record of the half-hourly automated water table depth data collected for 12 SPRUCE plots (4, 6, 7, 8, 10, 11, 13, 14, 16, 17, 19, 20, and 21) beginning during deep peat heating (DPH) in 2015 and continuing throughout the whole ecosystem warming (WEW) manipulations for the SPRUCE Project (Hanson et al. 2017). The data currently cover 2015-05-12 through 2024-12-31 and will be updated periodically throughout the duration of the SPRUCE project. Also provided are daily plot normalized data for water table depths with respect to mean hollow locations within each plot. The hollow referenced data provide the basis for the intercomparison of peat saturation or aeration across treatment plots. A limited data set for manual water table observations made periodically from 2015-2022 are also provided as a reference to the plot center automated observations. In August 2015, WEW was initiated at 5 warming levels (+0, +2. +4.5, +6.75 and +9 °C) with 2 plots per warming level. DPH measurements were underway before the initiation of WEW heating treatments and both are expected to operate through 2025. Elevated CO2 treatments were added in June 2016 (Enclosures 4, 10, 11, 16 and 19). All measurements were made at the 8.1-ha S1 bog forest site in northern Minnesota, 40 km north of Grand Rapids, in the USDA Forest Service Marcell Experimental Forest (MEF). This dataset contains three data files in comma separated (*.csv) format.
54 ENVIRONMENTAL SCIENCES↗
Methodology to determine the coupling of continental clouds with surface and boundary layer height under cloudy conditions from lidar and meteorological data
Abstract. The states of coupling between clouds and surface or boundary layer have been investigated much more extensively for marine stratocumulus clouds than for continental low clouds, partly due to more complex thermodynamic structures over land. A manifestation is a lack of robust remote sensing methods to identify coupled and decoupled clouds over land. Following the idea for determining cloud coupling over the ocean, we have generalized the concept of coupling and decoupling to low clouds over land, based on potential temperature profiles. Furthermore, by using ample measurements from lidar and a suite of surface meteorological instruments at the U.S. Department of Energy's Atmospheric Radiation Measurement Program's Southern Great Plains site from 1998 to 2019, we have developed a method to simultaneously retrieve the planetary boundary layer (PBL) height (PBLH) and coupled states under cloudy conditions during the daytime. The new lidar-based method relies on the PBLH, the lifted condensation level, and the cloud base to diagnose the cloud coupling. The coupled states derived from this method are highly consistent with those derived from radiosondes. Retrieving the PBLH under cloudy conditions, which has been a persistent problem in lidar remote sensing, is resolved in this study. Our method can lead to high-quality retrievals of the PBLH under cloudy conditions and the determination of cloud coupling states. With the new method, we find that coupled clouds are sensitive to changes in the PBL with a strong diurnal cycle, whereas decoupled clouds and the PBL are weakly related. Since coupled and decoupled clouds have distinct features, our new method offers an advanced tool to separately investigate them in climate systems.
54 ENVIRONMENTAL SCIENCES↗
Determination and characterization of the Hubble Space Telescope pointing stability
The Hubble Space Telescope (HST) was designed to maintian a pointing stability (jitter) of 0.007 arc seconds rms throughout every observing period, which can last from a few seconds to several orbits. On-orbit measurements indicate that the hardware excitation induced by the reaction wheels. gyros, high gain antennae, science instrument mechanisms and tape recorders are well within specifications. Unexpectedly, the solar arrays because the dominant source of jitter. Every passage through an orbital terminator produces vibrations which emanate from the solar arrays due to thermal effects, which affect the relative positional stability. Broadband frequencies centered about 0.11 and 0.65 Hz were detected in the frequency content of the vehicle jitter. On-board modifications to the control law have attenuated the disturbance torques and reduced the vehicle jitter close to specification. Replacement of the solar arrays in December, 1993, should eliminate the torque distubances. Astrometric science observations are extremely susceptible to corruption from vehicle jitter. The removal of vehicle jitter from astrometric Transfer function scans of binary stars is explained in detail. A binary star separation of 16 milli-seconds of arc has been achieved, a separation resolution of 10 to 12 milli-seconds of arc appears feasible, with a binary star magnitude of 9 m(sub V). The achievement of this resolution is in part due to vehicle jitter removal. Comparison of vehicle jitter measurements from the position path of the vehicle control law, or from the guiding Fine Guidance Sensors (FGS), are shown to be equivalent to approximately 0.001 arc second.
Bradley, A. J.↗
Chandra X-Ray Observatory Pointing Control System Performance During Transfer Orbit and Initial On-Orbit Operations
The Chandra X-ray Observatory (CXO, formerly AXAF) is the third of the four NASA great observatories. It was launched from Kennedy Space Flight Center on 23 July 1999 aboard the Space Shuttle Columbia and was successfully inserted in a 330 x 72,000 km orbit by the Inertial Upper Stage (IUS). Through a series of five Integral Propulsion System burns, CXO was placed in a 10,000 x 139,000 km orbit. After initial on-orbit checkout, Chandra's first light images were unveiled to the public on 26 August, 1999. The CXO Pointing Control and Aspect Determination (PCAD) subsystem is designed to perform attitude control and determination functions in support of transfer orbit operations and on-orbit science mission. After a brief description of the PCAD subsystem, the paper highlights the PCAD activities during the transfer orbit and initial on-orbit operations. These activities include: CXO/IUS separation, attitude and gyro bias estimation with earth sensor and sun sensor, attitude control and disturbance torque estimation for delta-v burns, momentum build-up due to gravity gradient and solar pressure, momentum unloading with thrusters, attitude initialization with star measurements, gyro alignment calibration, maneuvering and transition to normal pointing, and PCAD pointing and stability performance.
Quast, Peter↗
The LISA Integrated Model
The Laser Interferometer Space Antenna (LISA) space mission has unique needs that argue for an aggressive modeling effort. These models ultimately need to forecast and interrelate the behavior of the science input, structure, optics, control systems, and many other factors that affect the performance of the flight hardware. In addition, many components of these integrated models will also be used separately for the evaluation and investigation of design choices, technology development and integration and test. This article presents an overview of the LISA integrated modeling effort.
Merkowitz, Stephen M.↗
Orbit Design for Phase I and II of the Magnetospheric Multiscale Mission (MMS)
The Magnetospheric Multiscale Mission (MMS) is a NASA mission intended to make fundamental advancements in our understanding of the Earth's Magnetosphere. There are three processes that MMS is intended to study including magnetic recon- nection, charged particle acceleration, and turbulence. There are four phases of the MMS mission and each phase is designed to study a particular region of the Earth's magnetosphere. The mission is composed of a formation of four spacecraft that are nominally in a regular tetrahedron formation. In this work, we present optimal orbit designs for Phase I and II. This entails designing optimal reference orbits so that the spacecraft dwell-time in the region of interest is a maximum. This is non-trivial because the Earth's magnetosphere is dynamic and its shape and position are not constant in inertial space. Optimal orbit design for MMS also entails designing the formation so that the relative motion of the four spacecraft yields the greatest science return. We develop performance metrics that are related to the science return, and use Sequential Quadratic Programming (SQP) to determine optimal relative motion solutions. We also ensure that practical constraints such as maximum eclipse time and minimum inter-spacecraft separation distances are not violated.
Hughes, Steve P.↗
Radiolytic Model for Chemical Composition of Europa's Atmosphere and Surface
The overall objective of the present effort is to produce models for major and selected minor components of Europa s neutral atmosphere in 1-D versus altitude and in 2-D versus altitude and longitude or latitude. A 3-D model versus all three coordinates (alt, long, lat) will be studied but development on this is at present limited by computing facilities available to the investigation team. In this first year we have focused on 1-D modeling with Co-I Valery Shematovich s Direct Simulation Monte Carlo (DSMC) code for water group species (H2O, O2, O, OH) and on 2-D with Co-I Mau Wong's version of a similar code for O2, O, CO, CO2, and Na. Surface source rates of H2O and O2 from sputtering and radiolysis are used in the 1-D model, while observations for CO2 at the Europa surface and Na detected in a neutral cloud ejected from Europa are used, along with the O2 sputtering rate, to constrain source rates in the 2-D version. With these separate approaches we are investigating a range of processes important to eventual implementation of a comprehensive 3-D atmospheric model which could be used to understand present observations and develop science requirements for future observations, e.g. from Earth and in Europa orbit. Within the second year we expect to merge the full water group calculations into the 2-D version of the DSMC code which can then be extended to 3-D, pending availability of computing resources. Another important goal in the second year would be the inclusion of sulk and its more volatile oxides (SO, SO2).
Cooper, John F.↗
Varying Levels of Automation on UAS Operator Responses to Traffic Resolution Advisories in Civil Airspace
Continuing demand for the use of Unmanned Aircraft Systems (UAS) has put increasing pressure on operations in civil airspace. The need to fly UAS in the National Airspace System (NAS) in order to perform missions vital to national security and defense, emergency management, and science is increasing at a rapid pace. In order to ensure safe operations in the NAS, operators of unmanned aircraft, like those of manned aircraft, may be required to maintain separation assurance and avoid loss of separation with other aircraft while performing their mission tasks. This experiment investigated the effects of varying levels of automation on UAS operator performance and workload while responding to conflict resolution instructions provided by the Tactical Collision Avoidance System II (TCAS II) during a UAS mission in high-density airspace. The purpose of this study was not to investigate the safety of using TCAS II on UAS, but rather to examine the effect of automation on the ability of operators to respond to traffic collision alerts. Six licensed pilots were recruited to act as UAS operators for this study. Operators were instructed to follow a specified mission flight path, while maintaining radio contact with Air Traffic Control and responding to TCAS II resolution advisories. Operators flew four, 45 minute, experimental missions with four different levels of automation: Manual, Knobs, Management by Exception, and Fully Automated. All missions included TCAS II Resolution Advisories (RAs) that required operator attention and rerouting. Operator compliance and reaction time to RAs was measured, and post-run NASA-TLX ratings were collected to measure workload. Results showed significantly higher compliance rates, faster responses to TCAS II alerts, as well as less preemptive operator actions when higher levels of automation are implemented. Physical and Temporal ratings of workload were significantly higher in the Manual condition than in the Management by Exception and Fully Automated conditions.
Kenny, Caitlin↗
Reactive Sequencing for Autonomous Navigation Evolving from Phoenix Entry, Descent, and Landing
Virtual Machine Language (VML) is an award-winning advanced procedural sequencing language in use on NASA deep-space missions since 1997, and was used for the successful entry, descent, and landing (EDL) of the Phoenix spacecraft onto the surface of Mars. Phoenix EDL utilized a state-oriented operations architecture which executed within the constraints of the existing VML 2.0 flight capability, compatible with the linear "land or die" nature of the mission. The intricacies of Phoenix EDL included the planned discarding of portions of the vehicle, the complex communications management for relay through on-orbit assets, the presence of temporally indeterminate physical events, and the need to rapidly catch up four days of sequencing should a reboot of the spacecraft flight computer occur shortly before atmospheric entry. These formidable operational challenges led to new techniques for packaging and coordinating reusable sequences called blocks using one-way synchronization via VML sequencing global variable events. The coordinated blocks acted as an ensemble to land the spacecraft, while individually managing various elements in as simple a fashion as possible. This paper outlines prototype VML 2.1 flight capabilities that have evolved from the one-way synchronization techniques in order to implement even more ambitious autonomous mission capabilities. Target missions for these new capabilities include autonomous touch-and-go sampling of cometary and asteroidal bodies, lunar landing of robotic missions, and ultimately landing of crewed lunar vehicles. Close proximity guidance, navigation, and control operations, on-orbit rendezvous, and descent and landing events featured in these missions require elaborate abort capability, manifesting highly non-linear scenarios that are so complex as to overtax traditional sequencing, or even the sort of one-way coordinated sequencing used during EDL. Foreseeing advanced command and control needs for small body and lunar landing guidance, navigation and control scenarios, work began three years ago on substantial upgrades to VML that are now being exercised in scenarios for lunar landing and comet/asteroid rendezvous. The advanced state-based approach includes coordinated state transition machines with distributed decision-making logic. These state machines are not merely sequences - they are reactive logic constructs capable of autonomous decision making within a well-defined domain. Combined with the JPL's AutoNav software used on Deep Space 1 and Deep Impact, the system allows spacecraft to autonomously navigate to an unmapped surface, soft-contact, and either land or ascend. The state machine architecture enabled by VML 2.1 has successfully performed sampling missions and lunar descent missions in a simulated environment, and is progressing toward flight capability. The authors are also investigating using the VML 2.1 flight director architecture to perform autonomous activities like rendezvous with a passive hypothetical Mars sample return capsule. The approach being pursued is similar to the touch-and-go sampling state machines, with the added complications associated with the search for, physical capture of, and securing of a separate spacecraft. Complications include optically finding and tracking the Orbiting Sample Capsule (OSC), keeping the OSC illuminated, making orbital adjustments, and physically capturing the OSC. Other applications could include autonomous science collection and fault compensation.
asteroid↗