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At least 55 records · Page 3

Cellulose regulated lignin/cellulose-based carbon materials with hierarchical porous structure for energy storage

Lignin has gained extensive attention as an ideal carbon precursor due to its abundance and high carbon content. However, the agglomeration of lignin and additional corrosive and unrecyclable reagents in direct pyrolysis still limit the development of lignin-based porous carbons. Herein, a facile and eco-friendly strategy was proposed to fabricate hierarchical porous lignin/cellulose-based carbon materials (LCs). In the process, cellulose nanofibrils acted as the skeleton of the bio-aerogels, which supported lignin and benefit the preparation of the LCs. Moreover, the specific surface area and the graphitization degree of LCs can be regulated by varying the cellulose content. Without activation, the bio-based carbon material (LC30) had a high specific surface area of 1770 m 2 g –1 , which displayed high specific capacitance of 216.2 F g –1 at the current density of 0.5 A g –1 . The supercapacitor based on LC30 also showed outstanding energy density of 12.3 Wh kg –1 at the power density of 50 W kg –1 . The sustainable raw material, simple and harmless preparation process, and remarkable electrochemical performance enable LC30, a promising supercapacitor electrode for energy storage.

25 ENERGY STORAGE↗

Bisphenol A-elicited miR-146a-5p impairs murine testicular steroidogenesis through negative regulation of Mta3 signaling

The epigenetic effects on expression of non-coding RNAs (e.g. microRNAs) of environmental toxin bisphenol A (BPA) have extended our understanding of the etiology of human reproductive disorders including hypospermatogenesis and androgen deficiency. BPA-induced miR-146a-5p is a potent regulator of endocrine and immune homeostasis, but its role in testis remain unexplored. We show here that in murine testis, miR-146a-5p was exclusively expressed in interstitial Leydig cells (LCs). This expression was significantly induced by BPA exposure. Consequently, the elevated miR-146a-5p exacerbated the deleterious effects of BPA on testicular steroidogenesis. Mechanistically, miR-146a-5p repressed the expression of Mta3, a pivotal chromatin remodeling transcription factor recently involved in controlling the steroidogenic activity, via directly targeting its 3′UTR. This repression thereafter rendered LCs more sensitive to BPA-elicited inhibitory effects. Conversely, ectopic expression of hMTA3 successfully rescued miR-146a-5p-elicited inhibitory effects on testicular steroidogenesis in BPA-challenged LCs. Taken together, the available data provide novel evidence that deregulation of testicular miR-146a-5p/Mta3 cascade mediates, at least in part, the steroidogenic dysfunction caused by BPA exposure.

60 APPLIED LIFE SCIENCES↗

Amphiphile-Induced Phase Transition of Liquid Crystals at Aqueous Interfaces

We report that monolayer assemblies of amphiphiles at planar interfaces between thermotropic liquid crystals (LCs) and an aqueous phase can give rise to configurational transitions of the underlying LCs. A common assumption has been that a reconfiguration of the LC phase is caused by an interdigitation of the hydrophobic tails of amphiphiles with the molecules of the LC at the interface. A different mechanism is discovered here, whereby reorientation of the LC systems is shown to occur through lowering of the orientation-dependent surface energy of the LC due to formation of a thin isotropic layer at the aqueous interface. Using a combination of atomistic molecular dynamics simulations and experiments, we demonstrate that a monolayer of specific amphiphiles at an aqueous interface can cause a local nematic-to-isotropic phase transition of the LC by disturbing the antiparallel configuration of the LC molecules. Lastly, these results provide new insights into the interfacial, molecular-level organization of LCs that can be exploited for rational design of biological sensors and responsive systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Short Hydrogen Bonds on Reconstructed Nanocrystal Surface Enhance Oxygen Evolution Activity

Here, water splitting to generate hydrogen and oxygen gas is critical to renewable energy technologies, including fuel cells and rechargeable metal–air batteries. The oxygen evolution reaction (OER) has long been the bottleneck of water splitting because of its high overpotential (η) and sluggish kinetics, and development of efficient, stable, and non-noble-metal-based OER catalysts has been an extensively studied topic. Here, we propose short hydrogen bonds on reconstructed nanocrystal surface to enhance oxygen evolution activity by investigating three types of phase structures (β II , β I , and γ 0 ) of Li 2 CoSiO 4 (LCS) nanoparticles as OER electrocatalysts. Among them, the β II -LCS outperforms the previously reported Co-based catalysts and the state-of-the-art IrO 2 catalyst for OER in the alkaline condition. Our experiments combined with ab initio calculations indicated that due to the line-linked arrangement of Co active sites at the surface of β II -LCS, short hydrogen bonds (2.54 Å) are formed and linked into a network at the reconstructed surface by rotating the flexible CoO4 tetrahedra after surface delithiation, thus facilitating proton transfer and dissociation, leading to a unique dual-center catalytic pathway with low theoretical thermodynamic overpotential (0.35 eV) for the OER process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Supersaturation, Nucleation, and Phase Separation of Mesoscopic Systems

Supersaturation, nucleation, and phase separation are ubiquitous phenomena of great interest in both science and industry. However, a unified, quantitative understanding of these phenomena has yet to be achieved for mesoscopic systems. Here, we present a set of general equations that determine the monomer saturation degree, the size distribution, and the free energy of mesoscopic systems, as well as their phase-transition conditions. These equations reveal that, under supersaturation, the largest cluster size (LCS) is an important state variable; the supersaturation degree decreases with the LCS, approaching unity in the macroscopic limit. We identify the critical supersaturation, at which the nuclei undergo the phase transition to form large crystals. Below this critical supersaturation, the nucleus size distribution is either a unimodal function or a monotonically decreasing function of size, depending on the system and temperature. We also predict the most probable nucleus size and the direction of spontaneous changes of the LCS. Our theory provides a unified, quantitative explanation of the nucleus-size-distribution across six different systems, including nanoparticles and biological condensates. This work serves as a general theoretical framework useful for understanding and designing nucleation and phase transitions of mesoscopic systems.

Kang, Jingyu↗

Manipulating molecular order in nematic liquid crystal capillary bridges via surfactant adsorption: guiding principles from dissipative particle dynamics simulations

The ability of liquid crystals (LCs) to change orientational order is used in applications, ranging from sensors to displays. The aim of this work is to computationally investigate how surfactant adsorption on cylindrical LC bridges can be used to control such orientational order. Building from classical fundamental lessons, understanding the ordering of mesogens along a preferred axis with the help of molecular modelling contributes to investigations of systems that could be a platform for LC-based sensing applications. The coarse-grained dissipative particle dynamics (DPD) simulation method is implemented here, because it allows us to quantify the effect of molecular features on the properties of meso-scopic systems containing LC bridges, an aqueous solvent, and surfactants at various concentrations. Three surfactant types are modelled with short, medium, and long tail lengths, respectively. All surfactants adsorb at the LC–water interface. It is found that the length of the surfactant hydrophobic tail determines the effectiveness by which the LC order is affected. Short tails are not as effective as long ones. Surfactants with long tails affect the LC order, but, in agreement with experiments, predominantly only within a short distance from the LC–water interface. For these surfactants, the surface density at the LC–water interface is an important knob that can be used to control the order of the LCs. As the effective LC–surfactant interactions change, so does the distribution of the surfactants at the interface. Consistent with theoretical expectations, the results presented here elucidate the effect of molecular features on the anchoring mechanism between surfactants and mesogens within cylindrical bridges dispersed in aqueous systems and could be helpful for designing novel surface-active compounds in the development of advanced sensing devices based on LCs.

74 ATOMIC AND MOLECULAR PHYSICS↗

Stabilization of amyloidogenic immunoglobulin light chains by small molecules

In Ig light-chain (LC) amyloidosis (AL), the unique antibody LC protein that is secreted by monoclonal plasma cells in each patient misfolds and/or aggregates, a process leading to organ degeneration. As a step toward developing treatments for AL patients with substantial cardiac involvement who have difficulty tolerating existing chemotherapy regimens, we introduce small-molecule kinetic stabilizers of the native dimeric structure of full-length LCs, which can slow or stop the amyloidogenicity cascade at its origin. Specifically, a protease-coupled fluorescence polarization-based high-throughput screen was employed to identify small molecules that kinetically stabilize LCs. NMR and X-ray crystallographic data demonstrate that at least one structural family of hits bind at the LC–LC dimerization interface within full-length LCs, utilizing variable-domain residues that are highly conserved in most AL patients. Stopping the amyloidogenesis cascade at the beginning is a proven strategy to ameliorate postmitotic tissue degeneration.

59 BASIC BIOLOGICAL SCIENCES↗

Comparative Visualization of Vector Field Ensembles Based on Longest Common Subsequence

We propose a longest common subsequence (LCS) based approach to compute the distance among vector field ensembles. By measuring how many common blocks the ensemble pathlines passing through, the LCS distance defines the similarity among vector field ensembles by counting the number of sharing domain data blocks. Compared to the traditional methods (e.g. point-wise Euclidean distance or dynamic time warping distance), the proposed approach is robust to outlier, data missing, and sampling rate of pathline timestep. Taking the advantages of smaller and reusable intermediate output, visualization based on the proposed LCS approach revealing temporal trends in the data at low storage cost, and avoiding tracing pathlines repeatedly. Finally, we evaluate our method on both synthetic data and simulation data, which demonstrate the robustness of the proposed approach.

Liu, Richen↗

Experimental Studies of Engineered Barrier Systems Conducted at Los Alamos National Laboratory (FY16)

Over the past five years the Used Fuel Campaign has investigated Engineered Barrier Systems (EBS) at higher heat loads (up to 300°C) and pressure (150 bar). This past year experimental work was hindered due to a revamping of the hydrothermal lab. Regardless, two experiments were run this past year, EBS-18 and EBS-19. EBS-18 was run using Low Carbon Steel (LCS) and opalinus clay in addition to the bentonite and opalinus brine. Many of the past results were confirmed in EBS-18, such as the restriction of illite formation due to the bulk chemistry, pyrite degradation, and zeolite formation dependent on the bentonite and opalinus clay. The LCS show vast amounts of pit corrosion (over 100μm of corrosion in six weeks), leading a corrosion rate of 1083 μm/year. In addition, a mineral goethite, an iron-bearing hydroxide, formed in the pits of the LCS. Preliminary results from EBS-19 water chemistry are included but SEM imaging, micro probe and XRD are still needed for further results. Copper corrosion was investigated further and over 850 measurements were taken. It was concluded that pitting and pyrite degradation drastically increase the corrosion rate from 0.12 to 0.39 μm/day. However, the growth of a layer of the mineral chalcocite is thought to subdue the corrosion rate to 0.024 μm/day as observed in the EBS-13, a sixth month experiment. This document presents the findings of this past year.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SUPERNOVAE POWERED BY MAGNETARS THAT TRANSFORM INTO BLACK HOLES

Rapidly rotating, strongly magnetized neutron stars (NSs; magnetars) can release their enormous rotational energy via magnetic spin-down, providing a power source for bright transients such as superluminous supernovae (SNe). On the other hand, particularly massive (so-called supramassive) NSs require a minimum rotation rate to support their mass against gravitational collapse, below which the NS collapses to a black hole (BH). We model the light curves (LCs) of SNe powered with magnetars that transform into BHs. Although the peak luminosities can reach high values in the range of superluminous SNe, their post maximum LCs can decline very rapidly because of the sudden loss of the central energy input. Early BH transformation also enhances the shock breakout signal from the magnetar-driven bubble relative to the main SN peak. Our synthetic LCs of SNe powered by magnetars transforming to BHs are consistent with those of some rapidly evolving bright transients recently reported by Arcavi et al.

79 ASTRONOMY AND ASTROPHYSICS↗

Rotation of Late-type Stars in Praesepe with K2

We have Fourier-analyzed 941 K2 light curves (LCs) of likely members of Praesepe, measuring periods for 86% and increasing the number of rotation periods (P) by nearly a factor of four. The distribution of P versus (V−K{sub s}), a mass proxy, has three different regimes: (V−K{sub s}) < 1.3, where the rotation rate rapidly slows as mass decreases; 1.3 < (V−K{sub s}) < 4.5, where the rotation rate slows more gradually as mass decreases; and (V−K{sub s}) > 4.5, where the rotation rate rapidly increases as mass decreases. In this last regime, there is a bimodal distribution of periods, with few between ∼2 and ∼10 days. We interpret this to mean that once M stars start to slow down, they do so rapidly. The K2 period–color distribution in Praesepe (∼790 Myr) is much different than that in the Pleiades (∼125 Myr) for late F, G, K, and early-M stars; the overall distribution moves to longer periods and is better described by two line segments. For mid-M stars, the relationship has a similarly broad scatter and is steeper in Praesepe. The diversity of LCs and of periodogram types is similar in the two clusters; about a quarter of the periodic stars in both clusters have multiple significant periods. Multi-periodic stars dominate among the higher masses, starting at a bluer color in Praesepe ((V−K{sub s}) ∼ 1.5) than in the Pleiades ((V−K{sub s}) ∼ 2.6). In Praesepe, there are relatively more LCs that have two widely separated periods, ΔP>6 days. Some of these could be examples of M star binaries where one star has spun down but the other has not.

79 ASTRONOMY AND ASTROPHYSICS↗

Discovery of a Mid-infrared Echo from the TDE Candidate in the Nucleus of ULIRG F01004−2237

We present the mid-infrared (MIR) light curves (LCs) of a tidal disruption event candidate in the center of a nearby ultraluminous infrared galaxy F01004−2237 using archival WISE and NEOWISE data from 2010 to 2016. At the peak of the optical flare, F01004−2237 was IR quiescent. About three years later, its MIR fluxes have shown a steady increase, rising by 1.34 and 1.04 mag in 3.4 and 4.6 μ m up to the end of 2016. The host-subtracted MIR peak luminosity is 2–3 × 10{sup 44} erg s{sup −1}. We interpret the MIR LCs as an infrared echo, i.e., dust reprocessed emission of the optical flare. Fitting the MIR LCs using our dust model, we infer a dust torus of the size of a few parsecs at some inclined angle. The derived dust temperatures range from 590–850 K, and the warm dust mass is ∼7 M {sub ⊙}. Such a large mass implies that the dust cannot be newly formed. We also derive the UV luminosity of 4–11 × 10{sup 44} erg s{sup −1}. The inferred total IR energy is 1–2 × 10{sup 52} erg, suggesting a large dust covering factor. Finally, our dust model suggests that the long tail of the optical flare could be due to dust scattering.

79 ASTRONOMY AND ASTROPHYSICS↗

System parameter adaptation via a learning procedure

The paper considers the problem of designing a learning control system (LCS) that is capable of meeting design requirements over many possible operating conditions of the plant by adjusting, in a prescribed manner, the feedforward and feedback gains of the plant. The approach utilizes the best features of two methods, gain scheduling and adaptive control. The LCS was implemented using two models, one representing the longitudinal dynamics and the other the lateral dynamics of the simulated plant. A block diagram illustrating the functional organization of an LCS is presented.

Mekel, R.↗

Anomaly Detection in Large Sets of High-Dimensional Symbol Sequences

This paper addresses the problem of detecting and describing anomalies in large sets of high-dimensional symbol sequences. The approach taken uses unsupervised clustering of sequences using the normalized longest common subsequence (LCS) as a similarity measure, followed by detailed analysis of outliers to detect anomalies. As the LCS measure is expensive to compute, the first part of the paper discusses existing algorithms, such as the Hunt-Szymanski algorithm, that have low time-complexity. We then discuss why these algorithms often do not work well in practice and present a new hybrid algorithm for computing the LCS that, in our tests, outperforms the Hunt-Szymanski algorithm by a factor of five. The second part of the paper presents new algorithms for outlier analysis that provide comprehensible indicators as to why a particular sequence was deemed to be an outlier. The algorithms provide a coherent description to an analyst of the anomalies in the sequence, compared to more normal sequences. The algorithms we present are general and domain-independent, so we discuss applications in related areas such as anomaly detection.

Budalakoti, Suratna↗

Evolving the NASA Near Earth Network for the Next Generation of Human Space Flight

The purpose of this paper is to present the planned development and evolution of the NASA Near Earth Network (NEN) launch communications services in support of the next generation of human space flight programs. Following the final space shuttle mission in 2011, the two NEN launch communications stations were decommissioned. Today, NASA is developing the next generation of human space flight systems focused on exploration missions beyond low-earth orbit, and supporting the emerging market for commercial crew and cargo human space flight services. The NEN is leading a major initiative to develop a modern high data rate launch communications ground architecture with support from the Kennedy Space Center Ground Systems Development and Operations Program and in partnership with the U.S. Air Force (USAF) Eastern Range. This initiative, the NEN Launch Communications Stations (LCS) development project, successfully completed its System Requirements Review in November 2013. This paper provides an overview of the LCS project and a summary of its progress. The LCS ground architecture, concept of operations, and driving requirements to support the new heavy-lift Space Launch System and Orion Multi-Purpose Crew Vehicle for Exploration Mission-1 are presented. Finally, potential future extensions to the ground architecture beyond EM-1 are discussed.

Launch Communications↗

Command and Control System Automated Testing

To support the National Aeronautics and Space Administration’s (NASA) Space Launch System (SLS) rocket, Kennedy Space Center (KSC) has developed the Spaceport Command and Control System (SCCS) to monitor and control the pre-launch and launch operations. Within SCCS, the Launch Control System (LCS) is designed to allow console engineers to control and monitor the status of the launch and flight hardware, as well as issue commands to ground control systems and launch vehicles. The display software of the LCS is responsible for visualizing the various data that can be received from the hardware and software components of the LCS. Since this system is providing critical information to engineers in the firing room, the visualization of data across the system must be easy to understand, but also reliable and accurate.

Software↗

Command and Control System Automated Testing

To support the National Aeronautics and Space Administration’s (NASA) Space Launch System (SLS) rocket and the Orion capsule, designed to take humans back to the moon in 2024, Kennedy Space Center (KSC) has developed the Spaceport Command and Control System (SCCS) to monitor and control the launch. Within SCCS, the Launch Control System (LCS) is designed to allow console engineers to control and monitor the status of the launch and flight hardware, as well as issue commands to ground control systems and launch vehicles. The messaging software of LCS is responsible for handling the various data types that can be sent between the hardware and software components of the LCS. Since this system is interacting with numerous devices, controllers, and viewports in real time, the distribution of data across the system must be fast, but also reliable and accurate. To verify the accuracy and reliability of the system, developers on the project have created a set of tests to be performed that covers all operations allowed by the system. Given the extensive Application Programming Interface(API) provided by the messaging software, these unit tests are rather time-consuming and costly (in terms of man-hours) to perform. Therefore, an automated testing framework is used to perform supplemental tests automatically when updates are made to the code base.

Rebecca McFadden↗

Unit Testing and Remote Display Development

The Kennedy Space Center is currently undergoing an extremely interesting transitional phase. The final Space Shuttle mission, STS-135, was completed in July of 2011. NASA is now approaching a new era of space exploration. The development of the Orion Multi- Purpose Crew Vehicle (MPCV) and the Space Launch System (SLS) launch vehicle that will launch the Orion are currently in progress. An important part of this transition involves replacing the Launch Processing System (LPS) which was previously used to process and launch Space Shuttles and their associated hardware. NASA is creating the Spaceport Command and Control System (SCCS) to replace the LPS. The SCCS will be much simpler to maintain and improve during the lifetime of the spaceflight program that it will support. The Launch Control System (LCS) is a portion of the SCCS that will be responsible for launching the rockets and spacecraft. The Integrated Launch Operations Applications (ILOA) group of SCCS is responsible for creating displays and scripts, both remote and local, that will be used to monitor and control hardware and systems needed to launch a spacecraft. It is crucial that the software contained within be thoroughly tested to ensure that it functions as intended. Unit tests must be written in Application Control Language (ACL), the scripting language used by LCS. These unit tests must ensure complete code coverage to safely guarantee there are no bugs or any kind of issue with the software.

LCS↗