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At least 739 records · Page 41

Mesoporous peptide frameworks engineered from crystallizable collagen-mimetic peptide amphiphiles

The rational design of porous frameworks with tunable pore dimensions and chemical functionalities is a critical step toward their implementation in diverse applications. While traditional porous materials are typically constructed from abiotic components, there is increasing interest in employing biologically derived building blocks (e.g., peptides and proteins) that offer unmatched structural and functional diversity. Here, we report the construction of crystalline mesoporous frameworks that are self-assembled from amphiphilic collagen-mimetic peptides. Comprehensive structural characterization via microscopy, spectroscopy, and computational techniques provides insights into the assembly packing model, in which hexagonally packed channels are interconnected by antiparallel-aligned collagen triple helices via hydrophobic and electrostatic interactions. Lastly, we demonstrate the functional potential of aCMP frameworks through the encapsulation of various molecular guests, including doxorubicin, an anti-cancer drug. Overall, this work establishes a class of mesoporous frameworks, derived from synthetically engineerable peptide conjugates, marking a significant step forward in broadening the architectural scope and application potential of peptide-based materials.

Perez, Anthony R↗

Gas phase formation of phenalene via 10π-aromatic, resonantly stabilized free radical intermediates

For the last few decades, the Hydrogen-Abstraction/aCetylene-Addition (HACA) mechanism has been fundamental in aiding our understanding of the source of polycyclic aromatic hydrocarbons (PAHs) in combustion processes and in circumstellar envelopes of carbon rich stars. However, the reaction mechanisms driving high temperature molecular mass growth beyond triphenylene (C 18 H 12 ) along with the link between PAHs and graphene-type nanostructures as identified in carbonaceous meteorites such as in Murchison and Allende has remained elusive. By exploring the reaction of the 1-naphthyl radical (C 10 H 7 ˙) with methylacetylene (CH 3 CCH) and allene (H 2 CCCH 2 ) under conditions prevalent in carbon-rich circumstellar environments and combustion systems, we provide compelling evidence on a facile formation of 1H-phenalene (C 13 H 10 ) – the central molecular building block of graphene-type nanostructures. Beyond PAHs, molecular mass growth processes from 1H-phenalene via ring-annulation through C3 molecular building blocks may ultimately lead to two-dimensional structures such as graphene nano flakes and after condensation of multiple layers to graphitized carbon. Furthermore, these fundamental reaction mechanisms are of crucial significance to facilitate an understanding of the origin and chemical evolution of carbon in our Galaxy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Magnetic and Mechanical Analysis of a Large Aperture 15 T Cable Test Facility Dipole Magnet

The US Department of Energy (DOE) Office of Science (SC), is funding a large bore “Cable Test Facility Magnet” for testing advanced cables and inserts in high transverse field. This is a joint effort between the Office of High Energy Physics (HEP) and the Office of Fusion Energy Sciences (FES). The background field magnet for this facility is being developed at Lawrence Berkeley National Laboratory (LBNL) while the cryostat and test facility will be located and operated by Fermi National Accelerator Laboratory (FNAL). The Nb 3 Sn dipole magnet, which will provide the transverse background field, is designed to generate a field of 15 T in a 100 × 150 mm bore at 1.9 K. The conceptual design of a block-type dipole with flared ends and a structure based on key-and-bladder technology will be introduced. The results of the magnetic and mechanical analysis will be presented.

43 PARTICLE ACCELERATORS↗

Extending tetrahedral network similarity to carbon: A type-I carbon clathrate stabilized by boron

Clathrates are guest/host framework compounds composed of polyhedral cages, yet despite their prevalence among tetrahedral network formers, clathrates with a carbon host lattice remain unrealized synthetic targets. Here, we report a type-I carbon-based framework—a ubiquitous clathrate structure type found throughout compounds containing tetrahedral building blocks. Following a boron-stabilization scheme based on first-principles predictions in the Ca–B–C system at high pressure, type-I Ca 8 B x C 46−x (x ≈ 9) was synthesized in the archetypal $Pm\bar{3}n$ lattice with stability derived from substitutionally disordered boron atoms on hexagonal ring framework positions. The synthesized clathrate, which is recoverable to ambient conditions, expands topological network similarity across tetrahedral systems and opens possibilities for a broad family of diamond-like, carbon-based compounds with tunable properties based on the wide potential for guest/host-atom substitutions and framework versatility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Coal conversion systems design and process modeling. Volume 1: Application of MPPR and Aspen computer models

The development of a coal gasification system design and mass and energy balance simulation program for the TVA and other similar facilities is described. The materials-process-product model (MPPM) and the advanced system for process engineering (ASPEN) computer program were selected from available steady state and dynamic models. The MPPM was selected to serve as the basis for development of system level design model structure because it provided the capability for process block material and energy balance and high-level systems sizing and costing. The ASPEN simulation serves as the basis for assessing detailed component models for the system design modeling program. The ASPEN components were analyzed to identify particular process blocks and data packages (physical properties) which could be extracted and used in the system design modeling program. While ASPEN physical properties calculation routines are capable of generating physical properties required for process simulation, not all required physical property data are available, and must be user-entered.

Source record↗

The use of impact force as a scale parameter for the impact response of composite laminates

The building block approach is currently used to design composite structures. With this approach, the data from coupon tests is scaled up to determine the design of a structure. Current standard impact tests and methods of relating test data to other structures are not generally understood and are often used improperly. A methodology is outlined for using impact force as a scale parameter for delamination damage for impacts of simple plates. Dynamic analyses were used to define ranges of plate parameters and impact parameters where quasi-static analyses are valid. These ranges include most low velocity impacts where the mass of the impacter is large and the size of the specimen is small. For large mass impacts of moderately thick (0.35 to 0.70 cm) laminates, the maximum extent of delamination damage increased with increasing impact force and decreasing specimen thickness. For large mass impact tests at a given kinetic energy, impact force and hence delamination size depends on specimen size, specimen thickness, boundary conditions, and indenter size and shape. If damage is reported in terms of impact force instead of kinetic energy, large mass test results can be applied directly to other plates of the same size.

Jackson, Wade C.↗

The use of impact force as a scale parameter for the impact response of composite laminates

The building block approach is currently used to design composite structures. With this approach, the data from coupon tests are scaled up to determine the design of a structure. Current standard impact tests and methods of relating test data to other structures are not generally understood and are often used improperly. A methodology is outlined for using impact force as a scale parameter for delamination damage for impacts of simple plates. Dynamic analyses were used to define ranges of plate parameters and impact parameters where quasi-static analyses are valid. These ranges include most low-velocity impacts where the mass of the impacter is large, and the size of the specimen is small. For large-mass impacts of moderately thick (0.35-0.70 cm) laminates, the maximum extent of delamination damage increased with increasing impact force and decreasing specimen thickness. For large-mass impact tests at a given kinetic energy, impact force and hence delamination size depends on specimen size, specimen thickness, boundary conditions, and indenter size and shape. If damage is reported in terms of impact force instead of kinetic energy, large-mass test results can be applied directly to other plates of the same thickness.

Jackson, Wade C.↗

TopMaker: Technique Developed for Automatic Multiblock Topology Generation Using the Medial Axis

The TopMaker technique was developed in an effort to reduce the time required for grid generation in complex numerical studies. Topology generation accounts for much of the man-hours required for structured multiblock grids. With regard to structured multiblock grids, topology refers to how the blocks are arranged and connected. A two-dimensional multiblock topology generation technique has been developed at the NASA Glenn Research Center. Very general configurations can be addressed by the technique. A configuration is defined by a collection of non-intersecting closed curves, which will be referred to as loops. More than a single loop implies that holes exist in the domain, which poses no problem. This technique requires only the medial vertices and the touch points that define each vertex. From the information about the medial vertices, the connectivity between medial vertices is generated. The physical shape of the medial edge is not required. By applying a few simple rules to each medial edge, a multiblock topology can be generated without user intervention. The resulting topologies contain only the level of complexity dictated by the configurations. Grid lines remain attached to the boundary except at sharp concave turns, where a change in index family is introduced as would be desired. Keeping grid lines attached to the boundary is especially important in computational fluid dynamics, where highly clustered grids are used near no-slip boundaries. This technique is simple and robust and can easily be incorporated into the overall grid-generation process.

Rigby, David L.↗

Summary of the Fourth AIAA CFD Drag Prediction Workshop

Results from the Fourth AIAA Drag Prediction Workshop (DPW-IV) are summarized. The workshop focused on the prediction of both absolute and differential drag levels for wing-body and wing-body-horizontal-tail configurations that are representative of transonic transport air- craft. Numerical calculations are performed using industry-relevant test cases that include lift- specific flight conditions, trimmed drag polars, downwash variations, dragrises and Reynolds- number effects. Drag, lift and pitching moment predictions from numerous Reynolds-Averaged Navier-Stokes computational fluid dynamics methods are presented. Solutions are performed on structured, unstructured and hybrid grid systems. The structured-grid sets include point- matched multi-block meshes and over-set grid systems. The unstructured and hybrid grid sets are comprised of tetrahedral, pyramid, prismatic, and hexahedral elements. Effort is made to provide a high-quality and parametrically consistent family of grids for each grid type about each configuration under study. The wing-body-horizontal families are comprised of a coarse, medium and fine grid; an optional extra-fine grid augments several of the grid families. These mesh sequences are utilized to determine asymptotic grid-convergence characteristics of the solution sets, and to estimate grid-converged absolute drag levels of the wing-body-horizontal configuration using Richardson extrapolation.

Vassberg, John C.↗

Thermoplastic Composite Lunar Tower Truss Structure: Design Development and Verification Plans

The National Aeronautics and Space Administration (NASA) Space Technology and Mission Directorate (STMD) is advancing thermoplastic composite (TPC) technologies for exploration missions. The Technology Development for Exploration Applications (TDEA) project goals are to develop and mature TPC materials, designs, analyses tools and techniques, and mature manufacturing processes. This includes development of manufacturing and joining approaches relevant to space environments. To these ends TDEA endeavors toward demonstrating a TPC truss structure for a lunar tower configuration. The design, predicated on robotic assembly, uses open section truss elements fused to a joint splice plate, without a structural adhesive. This presentation details the TDEA lunar truss structure design development approach including design heritage, the requirements established, the mechanical design and analyses, and thermal analyses demonstrating structural requirements conformance, as well as planned building block verification efforts either underway or planned. The mechanical analyses show the most severe environment is a moon-quake the truss dynamic responses. The thermal analyses show the extreme cold for on-orbit welding, the window for less severe on-orbit welding, as well as the large thermal gradients on the truss. The building block approach shown includes ultrasonic welding and lap shear coupon testing on various truss element thicknesses and layups. Knockdown factor determinations due to lunar dust contamination (simulated) and effects of welding in a vacuum are presented. The most highly loaded truss joint configuration sub-element verification test matrix is outlined. Lastly, plans to build, inspect, and test a 2-bay truss representative unit cell that is 1.5 meters by 1.5 meters by 3.0 meters tall are detailed.

Lunar Tower↗

Neutronic design and fuel cycle analysis of a fluoride salt-cooled High Temperature Reactor (FHR)

The Fluoride salt-cooled High temperature Reactor (FHR) is a new Gen IV reactor concept that can operate under near atmospheric pressure circumstances and further enhance the inherent safety. In this study, an FHR core design with 165 megawatts of thermal output (MWth) is proposed. The reactor core employs tri-structural-isotropic (TRISO) particle fuel within prismatic graphite blocks as the basic fuel form, FLiBe (2 {sup 7}LiF-BeF{sub 2}) as the primary coolant, and a three-batch fuel cycle scheme. Sensitivity analyses on various parameters were performed to optimize the cycle length and neutronic parameters. The fuel cycle of this core design was evaluated in detail from 4 aspects: cycle length, power peaking factor (PPF), discharge burnup, and temperature coefficient. It was found that larger fuel channel pitch (FCP) would have a relatively harder neutron spectrum, and yield relatively longer cycle length, lower, better fuel temperature coefficient (FTC), and moderator temperature coefficient (MTC). In addition, burnable poison (BP), Er{sub 2}O{sub 3}, can effectively reduce PPF, hold down the multiplication factor, and more importantly it can improve the MTC. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Precision Measurements of the Neutron Magnetic Form Factor to High Momentum Transfer using Durand’s Method

Protons and neutrons, collectively known as nucleons, along with electrons, constitute the fundamental building blocks of the visible universe. Understanding their internal structure is crucial for addressing key scientific questions about our origin and existence. Elastic electron-nucleon scattering provides insights into the spatial distributions of charge and current within nucleons through their electromagnetic form factors. Accurate knowledge of these form factors over a broad range of Q2, the squared four-momentum transfer in the scattering process, reveals details about the nucleon's internal structure. However, high-Q2 data of the nucleon electromagnetic form factor is scarce due to the challenges associated with such measurements. This thesis reports preliminary results from high-precision measurements of the neutron magnetic form factor (GMn) to unprecedented Q2 using Durand's method, also known as the "ratio" method. Systematic errors are greatly reduced by ext

Datta, Provakar↗

Precision Measurements of the Neutron Magnetic Form Factor to High Momentum Transfer using Durand's Method

Protons and neutrons, collectively known as nucleons, along with electrons, constitute the funda- mental building blocks of the visible universe. Understanding their internal structure is crucial for addressing key scientific questions about our origin and existence. Elastic electron-nucleon scatter- ing provides insights into the spatial distributions of charge and current within nucleons through their electromagnetic form factors. Accurate knowledge of these form factors over a broad range of Q2, the squared four-momentum transfer in the scattering process, reveals details about the nucleon’s internal structure. However, high-Q2 data of the nucleon electromagnetic form factor is scarce due to the challenges associated with such measurements. This thesis reports preliminary results from high-precision measurements of the neutron magnetic form factor (Gn M ) to unprecedented Q2 using Durand’s method, also known as the “ratio” method. Systematic errors are greatly reduced by extracting Gn M from the ratio of neutron-coincident (D(e, e'n)) to proton-coincident (D(e, e'p)) quasi-elastic electron scattering from deuteron. The scattered electrons were detected in the BigBite spectrometer, which features multiple Gas Elec- tron Multiplier (GEM) layers with large active area for high-precision tracking at very high rates. Simultaneous nucleon detection was performed by the Super BigBite spectrometer, which utilizes a dipole magnet with large solid angle acceptance at forward angles and a novel hadron calorimeter with very high and comparable detection efficiencies for both protons and neutrons. This setup could handle very high luminosity, making high-Q2 measurements feasible. Data were collected at five Q2 points: 3, 4.5, 7.4, 9.9, and 13.6 (GeV/c)2. Preliminary results are reported for all, with the lowest two Q2 points in good agreement with existing world data, while the higher points significantly extend the Q2 range in which Gn M is known accurately. The precision of the highest Q2 point is expected to remain unmatched for years to come.

Datta, Provakar↗

3D Woven Composite End Ring Structure: Design Development and Verification Testing

The National Aeronautics and Space Administration (NASA) Space Technology and Mission Directorate (STMD) is advancing composite technologies for exploration missions. The Composite Technology for Exploration (CTE) project goal is to advance lightweight joint concepts for Space Launch System (SLS) class structures. To this end CTE is developing and demonstrating a 3D woven carbon /epoxy composite joint design co-bonded in a circumferential end ring configuration, applied to a SLS sized conceptual payload attachment structure. This joint is a lightweight alternative to heavy and costly metallic joints. The 3D woven joint development advances lightweight joint technologies through material and structural design, material and joint analyses, and fabrication, as well as demonstration through building block testing. Prior limited building block tests are mentioned. In this paper, new sub-element-scale test results are described that demonstrate the structural capability well beyond design limit load. Then, results for a sub-component test article with a 889 mm joint subjected to combined loads are presented.

Kenneth N Segal↗

Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase

Chitin is an abundant biopolymer and pathogen-associated molecular pattern that stimulates a host innate immune response. Mammals express chitin-binding and chitin-degrading proteins to remove chitin from the body. One of these proteins, Acidic Mammalian Chitinase (AMCase), is an enzyme known for its ability to function under acidic conditions in the stomach but is also active in tissues with more neutral pHs, such as the lung. Here, we used a combination of biochemical, structural, and computational modeling approaches to examine how the mouse homolog (mAMCase) can act in both acidic and neutral environments. We measured kinetic properties of mAMCase activity across a broad pH range, quantifying its unusual dual activity optima at pH 2 and 7. We also solved high-resolution crystal structures of mAMCase in complex with oligomeric GlcNAcn, the building block of chitin, where we identified extensive conformational ligand heterogeneity. Leveraging these data, we conducted molecular dynamics simulations that suggest how a key catalytic residue could be protonated via distinct mechanisms in each of the two environmental pH ranges. These results integrate structural, biochemical, and computational approaches to deliver a more complete understanding of the catalytic mechanism governing mAMCase activity at different pH. Engineering proteins with tunable pH optima may provide new opportunities to develop improved enzyme variants, including AMCase, for therapeutic purposes in chitin degradation.

59 BASIC BIOLOGICAL SCIENCES↗

A Polymer-Assisted Spinodal Decomposition Strategy toward Interconnected Porous Sodium Super Ionic Conductor-Structured Polyanion-Type Materials and Their Application as a High-Power Sodium-Ion Battery Cathode

A general polymer-assisted spinodal decomposition strategy is used to prepare hierarchically porous sodium super ionic conductor (NASICON)-structured polyanion-type materials (e.g., Na 3 V 2 (PO 4 ) 3 , Li 3 V 2 (PO 4 ) 3 , K 3 V 2 (PO 4 ) 3 , Na 4 MnV(PO 4 ) 3 , and Na 2 TiV(PO 4 ) 3 ) in a tetrahydrofuran/ethanol/H 2 O synthesis system. Depending on the boiling point of solvents, the selective evaporation of the solvents induces both macrophase separation via spinodal decomposition and mesophase separation via self-assembly of inorganic precursors and amphiphilic block copolymers, leading to the formation of hierarchically porous structures. We find that the resulting hierarchically porous Na 3 V 2 (PO 4 ) 3 possessing large specific surface area (≈77 m 2 g -1 ) and pore volume (≈0.272 cm 3 g -1 ) shows a high specific capacity of 117.6 mAh g -1 at 0.1 C achieving the theoretical value and a long cycling life with 77% capacity retention over 1000 cycles at 5 C. This method presented here can open a facile avenue to synthesize other hierarchically porous polyanion-type materials.

36 MATERIALS SCIENCE↗

The ReSWARM microgravity flight experiments: Planning, control, and model estimation for on‐orbit close proximity operations

Abstract On‐orbit close proximity operations involve robotic spacecraft maneuvering and making decisions for a growing number of mission scenarios demanding autonomy, including on‐orbit assembly, repair, and astronaut assistance. Of these scenarios, on‐orbit assembly is an enabling technology that will allow large space structures to be built in situ, using smaller building block modules. However, like many of these scenarios, robotic on‐orbit assembly involves several technical hurdles, such as changing system models. For instance, grappled modules moved by a free‐flying “assembler” robot can cause significant changes in the combined system inertia, which have cascading impacts on motion planning and control portions of the autonomy stack. Further, on‐orbit assembly and other scenarios require collision‐avoiding motion planning, particularly when operating in a “construction site” scenario of multiple assembler robots and structures. Multiple key technologies that address these complicating factors for autonomous microgravity close proximity operations are detailed in this work, in particular: (1) application of global long‐horizon planning, accomplished using offline and online sampling‐based planner options that consider the system dynamics; (2) adaptation of the recently proposed RATTLE information‐aware planning framework for on‐orbit reconfiguration model learning; and (3) connection with robust control tools to provide low‐level control robustness using current system knowledge. These approaches were demonstrated for an autonomous on‐orbit assembly use case by the RElative Satellite sWarming and Robotic Maneuvering (ReSWARM) experiments using NASA's Astrobee robots on the International Space Station. Results of the ReSWARM experiments are provided along with significant operational and implementation detail discussing the practicalities of hardware implementation and unique aspects of working with the Astrobee free‐flyer robots in microgravity. ReSWARM provides a base set of planning and control tools for robotic close proximity operations, demonstrates them in microgravity, and outlines some of the important hardware aspects that future autonomous free‐flyers will need to consider.

Robotics↗