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At least 1,459 records · Page 81

Meteoritic Constraints on Models of the Solar Nebula: The Abundances of Moderately Volatile Elements

The "moderately volatile" elements are those which condense (or evaporate) in the temperature range 650 - 1350 K, as a mix of material with solar abundances is cooled (or heated) under equilibrium conditions. Their relative abundances in chondritic meteorites are solar (or "cosmic", as defined by tile composition of CI meteorites) to within a factor of several, but vary within that range in a way that correlates remarkably well with condensation temperature, independent of chemical affinity. It has been argued that this correlation reflects a systematically selective process which favored the accretion of refractory material over volatile material from a cooling nebula. Wasson and Chou suggested that condensation and settling of solids contemporaneously with the cooling and removal of nebular gas could produce tile observed abundance patterns, but a quantitative model has been lacking. We show that the abundance patterns of the moderately volatile elements in chondritic meteorites can be produced, in some degree of quantitative detail, by models of the solar nebula that are designed to conform to observations of T Tauri stars and the global conservation laws. For example, even if the local surface density of the nebula is not decreasing, condensation and accretion of solids from radially inflowing gas in a cooling nebula can result in depletions of volatiles, relative to refractories, like those observed. The details of the calculated abundance patterns depend on (but are not especially sensitive to) model parameters, and can exhibit the variations that distinguish the meteorite classes. Thus it appears that nebula characteristics Such as cooling rates, radial flow velocities, and particle accumulation rates can be quantitatively constrained by demanding that they conform to meteoritic data; and the models, in turn, can produce testable hypotheses regarding the time and location of the formation of the chondrite parent bodies and the planets.

Cassen, P.↗

Charge‐Programmable Photopolymers for 3D Electronics via Additive Manufacturing

Charge‐programmed 3D printing enables the fabrication of 3D electronics with lightweight and high precision via selective patterning of metals. This selective metal deposition is catalyzed by Pd nanoparticles that are specifically immobilized onto the charged surface and promises to fabricate a myriad of complex electronic devices with self‐sensing, actuation, and structural elements assembled in a designed 3D layout. However, the achievable property space and the material‐performance correlation of the charge‐programmed printing remain unexplored. Herein, a series of photo‐curable resins are designed for unveiling how the charge and crosslink densities synergistically impact the nanocatalyst‐guided selective deposition in catalytic efficiency and properties of the 3D printed charge‐programmed architectures, leading to high‐quality 3D patterning of solid and liquid metals. The findings offer a wide tunability of the structural properties of the printed electronics, ranging from stiff to extreme flexibility. Capitalizing on these results, the printing and successful application of an ultralight‐weight and deployable 3D multi‐layer antenna system operating at an ultrahigh‐frequency of 19 GHz are demonstrated.

36 MATERIALS SCIENCE↗

Control over Conformational Landscapes of Polypeptoids by Monomer Sequence Patterning

The ability to program chain conformation and structure through control over the monomer sequence of synthetic polymers has broad implications for next-generation material design. While related problems of protein-folding and de novo design have generated accurate predictions of 3D folded chain structures, generalization to synthetic polymers remains intractable due to the requirement of large structural databases and the intrinsically disordered nature of polymer building blocks. In this work, polypeptoids, a class of peptidomimetic synthetic polymers, are utilized to build a general workflow for the study of relationships between monomer sequence and dynamic 3D chain structure in solution. Furthermore, this work demonstrates how control over the monomer sequence can alter the conformational landscape of synthetic polymers to deviate dramatically from classical chain statistics. Specifically, the distribution of end-to-end distances, as measured by double electron-electron resonance spectroscopy in dilute solvent, is systematically skewed towards shorter distances with an increasing number of hydrophobes and further refined by hydrophobe arrangement in amphiphilic polypeptoid chains.

36 MATERIALS SCIENCE↗

Quantum Mechanical Simulations of Complex Nanostructures for Photovoltaic Applications

A quantitative understanding of the electronic excitations in nanostructures, especially complex nanostructures, is crucial for making new-generation photovoltaic (PV) cells based on nanotechnology, which have high efficiency and low cost. Yet current quantum mechanical simulation methods are either computationally too expensive or not accurate and reliable enough, hindering the rational design of the nanoscale PV cells. The PI seeks to develop new methodologies to overcome the challenges in this very difficult and long-lasting problem, pushing the field forward so that electronic excitations can be accurately predicted for systems involving thousands of atoms. The primary objective of this project is to develop new approaches for electronic excitation calculations that are more accurate than traditional density functional theory (DFT) and are applicable to systems larger than what current beyond-DFT methods can treat. In this proposal, the PI will first address the excited-state problem within the DFT framework to obtain quasiparticle energies from both Kohn-Sham (KS) eigenvalues and orbitals; and the electron-hole binding energy will be computed based on screened Coulomb interaction of corresponding DFT orbitals. The accuracy of these approaches will be examined against many-body methods of GW/BSE and quantum Monte Carlo (QMC). The PI will also work on improving the accuracy and efficiency of the GW/BSE and QMC methods in electronic excitation computations by using better KS orbitals obtained from orbital-dependent DFT as inputs. Then an extended QMC database of ground- and excited-state properties will be developed, and this will be spot checked and supplemented with data from GW/BSE calculations. The investigation will subsequently focus on the development of an improved exchange-correlation (XC) density functional beyond the current generalized gradient approximation (GGA) level of parameterization, with parameters fitted to the QMC database. This will allow the ground-state properties of focus systems to be more precisely predicted using DFT. These new developments will then be applied to investigate a chosen set of complex nanostructures that have great potential for opening new routes in designing materials with improved transport, electronic, and optical properties for PV and other optoelectronic usages: (1) Hybrid interfaces between materials with distinct electronic and optical properties, such as organic molecules (conjugated polymers, e.g. P3HT) and inorganic semiconducting materials (Si and ZnO). Complicated interface structures, including interface bonding configurations, compositional and geometrical blending patterns, interfacial defects, and various sizes and shapes of inorganic nanomaterials, will be considered for the purpose of understanding the working mechanisms of present organic/nano PV systems and designing optimum interface structures for fast charge separation and injection. (2) Complex-structured semiconducting nanomaterials that could induce charge separation without pn- or hetero-junctions. The new methodology will allow the PI to investigate the performance of realistic semiconducting nanomaterials of internal (impurities, defects, etc.) and external (uneven surface, mechanical twisting and bending, surface chemistry, etc.) complexities on optical absorption and charge transport against charge trapping and recombination. Of particular interest is whether such structural complexity in a single material could even be beneficial for PV usage, for example, charge separation through morphology control. Successful completion of the proposed DFT methodology would have a far-reaching impact on our ability to study and exploit the nature of electronic excitations in complex materials, advancing the design of next-generation electronic and optoelectronic devices in all facets of renewable energy conversion and storage, including photovoltaics, thermoelectricity, photochemistry, etc.

14 SOLAR ENERGY↗

Hybrid composites - State-of-the-art review: Analysis, design, application and fabrication

The review covers hybrid composites that consist of two or more different types of fibers (or fiber composites) in a frequently repeated pattern in a laminate. The fibers considered are boron, graphite, glass, and Kevlar; the resins considered include mostly structural epoxies, with some utilization of polyimides and thermoplastics. The review shows that considerable data have been generated for the tensile strength properties, as well as tensile and thermal fatigue, of interply hybrids, and for the impact resistance of interply and intraply hybrids. The rule of mixtures appears to be adequate for predicting longitudinal and transverse mechanical properties of unidirectional interply hybrids, and linear laminate theory appears to be adequate for predicting the elastic response of hybrids.

Chamis, C. C.↗

Performance trade-offs in reconfigurable networks for HPC

Designing efficient interconnects to support high-bandwidth and low-latency communication is critical toward realizing high performance computing (HPC) and data center (DC) systems in the exascale era. At extreme computing scales, providing the requisite bandwidth through overprovisioning becomes impractical. These challenges have motivated studies exploring reconfigurable network architectures that can adapt to traffic patterns at runtime using optical circuit switching. Despite the plethora of proposed architectures, surprisingly little is known about the relative performances and trade-offs among different reconfigurable network designs. We aim to bridge this gap by tackling two key issues in reconfigurable network design. First, we study how cost, power consumption, network performance, and scalability vary based on optical circuit switch (OCS) placement in the physical topology. Specifically, we consider two classes of reconfigurable architectures: one that places OCSs between top-of-rack (ToR) switches—ToR-reconfigurable networks (TRNs)—and one that places OCSs between pods of racks—pod-reconfigurable networks (PRNs). Second, we tackle the effects of reconfiguration frequency on network performance. Our results, based on network simulations driven by real HPC and DC workloads, show that while TRNs are optimized for low fan-out communication patterns, they are less suited for carrying high fan-out workloads. PRNs exhibit better overall trade-off, capable of performing comparably to a fully non-blocking fat tree for low fan-out workloads, and significantly outperform TRNs for high fan-out communication patterns.

Teh, Min Yee↗

Damage Tolerance Testing of a NASA TransHab Derivative Woven Inflatable Module

Current options for Lunar habitat architecture include inflatable habitats and airlocks. Inflatable structures can have mass and volume advantages over conventional structures. Inflatable structures are perceived to carry additional risk because they are at a lower Technical Readiness Level (TRL) than conventional metallic structures. One of the risks associated with inflatable structures is understanding the tolerance to component damage and the resulting behavior of the system after the damage is introduced. The Damage Tolerance Test (DTT) is designed to study the structural integrity of an expandable structure during and subsequent to induced damage. The TransHab Project developed an experimental inflatable module developed at Johnson Space Center in the 1990's. The TransHab design was originally envisioned for use in Mars Transits but was also studied as a potential habitat for the International Space Station (ISS). The design of the TransHab module was based on a woven design using an Aramid fabric. Testing of this design demonstrated a high level of predictability and repeatability and good correlation with analytical predictions of stresses and deflections. Based on JSC's experience with the design and analysis of woven inflatable structures, the Damage Tolerance Test article was designed and fabricated using a woven design. The Damage Tolerance Test Article consists of a load bearing restraint layer, a bladder or gas barrier, and a structural metallic core. The test article restraint layer is fabricated from one inch wide Kevlar webbing that is woven in a basket weave pattern. Underneath the structural restraint layer is the bladder or gas barrier. For this test the bladder was required to maintain pressure for testing only and was not representative of a flight design. The bladder and structural restraint layer attach to the structural core of the module at steel bulkheads at each end. The two bulkheads are separated by a 10 foot center tube which provides the structural support for the module when in a non-inflated state as well as resists a portion of the axial load when pressurized. The longitudinal members of the structural restraint layer are attached to the bulkheads using a series of clevises that are bolted to the bulkheads. Strain gages are placed on the clevises that can measure change in load when the structural restraint is inflated. The test module is 88 inches in diameter and 120 inches in height. The objectives of the DTT are to (1) verify the structural integrity of the assembled and pressurized structure when a section of the structural restraint layer is cut by a foreign object, and (2) verify the load distribution of the structural restraint layer during pressurization, before and after the structural restraint layer is severed. For this test, a longitudinal structural restraint strap will be severed using a linear shape charge. The linear shape charge was designed specifically for this application to cut only a single longitudinal strap, while not damaging the bladder. An array of strain gages were located at the bulkhead mounted clevises where the longitudinal restraint layer straps are attached. The DTT article was inflated to 45 psig, 25% of the ultimate design pressure, and one of the one-inch wide longitudinal structural members was severed. Strain gage measurements of loading in an array of longitudinal straps were taken throughout pressurization of the module to 45 psig, before firing of the linear shape charge, and after firing of the shape charge and separation of the strap. During testing not only were the original objectives met but better than expected results occurred. This paper will discuss space inflatable structures, damage tolerance analysis, test results, and applicability to the Lunar architecture.

Edgecombe, John↗

Investigation of design principles for metal-binding and conductive protein assemblies

Throughout the lifetime of this initiative, including renewals, we focused on understanding the fundamental principles of protein-protein interface design that enable predictable and modular spatial and kinetic control of multi-component protein self-assembly in 1D, 2D, and 3D, including the interface with inorganic materials, small molecules, and metal ions. We designed individual protein components that bind specific metal ions, including REEs and transport ions across lipid membranes. We created helical 1D filaments of repeating units with programmed periodicity, pitch, and multi-component environmentally responsive self-assembling protein fibers. We showed that these filaments reversibly assemble and disassemble under specific pH conditions and created end-specific caps that independently tune the balance of attachment and detachment rates at each terminus of the filament. Using similar filaments, we succeeded in binding arrays of heme and chlorophyll molecules and assembling patterned helical coatings around carbon nanotubes in efforts to create de novo conductive nanowires. By arraying REE binding sites in a large circular tandem array with a repeat protein-based cyclic oligomer, we created a molecular scaffold for superradiance and paramagnetic quantum sensing. We created a range of one-component and two-component self-assembling 2D arrays and showed that when designed to engage cell receptors, these arrays can control cell behavior from outside the cell signal to inside the cell. We designed helical repeat proteins with variable lengths displaying charged residues in a pattern matched to the cation lattice of mica. achieved a range of ordered states with an epitaxial match to the underlying crystal lattice. We further applied the learned principles of protein-induced biomineralization to design proteins with an interface lattice matching CaCO 3 and guide the formation of specific crystal forms of CaCO 3 from solution, a significant advance toward the global need to manage carbon. In all cases of mineral lattice matching and biomineralization, we followed assembly using molecularly resolved in situ AFM imaging and extracted information about assembly pathways and energetics, applying deep learning to quantify the dynamics of protein self-organization. We developed techniques for using dynamic metal-dependent interfaces on protein nanopores for discriminatively sensing dilute REEs in solution and demonstrated the use of strong metal-binding interfaces to drive nanocage disassembly for conditional nanocompartmentalization applications. This grant supported 11 people, including Asim Bera, Evans Brackenbrough, Andrew Borst, Nikita Hanikel, Timothy Huddy, Emily Joyce, Alex Young-Seug Kang, Ryan Kibler, Joshua Morris Lubner, Harley Pyles, and Shuai Zhang. The research effort culminated in the production of published papers and theses. Electronic Thesis/Dissertation are distributed by ProQuest/UMI Dissertation Publishing and made available on an open access basis through UW Libraries ResearchWorks Service.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wedge-Shaped Hopper Design for Milled Woody Biomass Flow

The bioenergy industry has been challenged by unstable flow and transport of milled biomass in material handling operations. Handling issues such as hopper clogging and auger jamming are attributed to knowledge gaps between existing handling units designed for bulk solids and their suitability for milled biomass with high compressibility. This work investigates various flow behaviors of granular woody biomass in wedge-shaped hoppers. Herein, hopper flow physical experiments and numerical simulations are conducted to study the influence of the critical material attributes and critical processing parameters on the flow pattern, arching, and throughput. The results show that (1) the preferred flow pattern, mass flow, can be achieved by controlling the material’s internal friction angle, hopper inclination, and hopper wall friction; (2) hopper arching, governed by the competing gravity-driven force against flow resistance from material internal friction and material–wall friction, can be controlled by the hopper wall friction angle and the inclination angle; and (3) flow throughput can be accurately estimated from our empirical equation with inputs of hopper outlet geometry and particle-scale to bulk-scale material attributes. This study elucidates woody biomass flow physics and provides guidance for industrial equipment design.

09 BIOMASS FUELS↗

High throughput battery failure experimental platform

Addressing the need to increase the sample set to understand the causes of lithium battery thermal runaway, we conceived of an experimental platform with capability to increase the number of runaway experiments (currently 3-5 per week), while also collecting detailed electrochemical impedance spectroscopy measurements (EIS). Once expanded, the platform would enable data collection on 10s to 100s of cells that all experience runaway, thereby creating a statistical database necessary to identify early indication of risk. A primary containment unit to house cylindrical cells of variety NMC811 and of size 21700 (21 mm diameter by 70 mm length) was designed with features such as debris containment, preloaded cells in an exchangeable port, nitrogen ventilation, and exhaust containment. We performed the first overcharge abuse experiments of several 21700 cells, handpicked because of different initial EIS, and demonstrated that EIS changes dramatically during early stages of overcharge, but in a different manner than previous pouch cell experiments. The abuse experiments also revealed the discharge pattern and debris field created during runaway, as well as the cell temperature control and overheat, that must be considered in the primary containment apparatus. We designed and built a switching relay system to permit measurement of EIS without an active charging circuit, and created instrument control software for charging, EIS, and cell temperature control. The late-start funding was insufficient to fully construct the primary containment unit, but the foundational design and knowhow is available for any future work.

25 ENERGY STORAGE↗

HIResist: a database of HIV-1 resistance to broadly neutralizing antibodies

Changing the course of the human immunodeficiency virus type I (HIV-1) pandemic is a high public health priority with approximately 39 million people currently living with HIV-1 (PLWH) and about 1.5 million new infections annually worldwide. Broadly neutralizing antibodies (bnAbs) typically target highly conserved sites on the HIV-1 envelope glycoproteins (Envs), which mediate viral entry, and block the infection of diverse HIV-1 strains. But different mechanisms of HIV-1 resistance to bnAbs prevent robust application of bnAbs for therapeutic and preventive interventions. Here we report the development of a new database that provides data and computational tools to aid the discovery of resistant features and may assist in analysis of HIV-1 resistance to bnAbs. Bioinformatic tools allow identification of specific patterns in Env sequences of resistant strains and development of strategies to elucidate the mechanisms of HIV-1 escape; comparison of resistant and sensitive HIV-1 strains for each bnAb; identification of resistance and sensitivity signatures associated with specific bnAbs or groups of bnAbs; and visualization of antibody pairs on cross-sensitivity plots. The database has been designed with a particular focus on user-friendly and interactive interface. Our database is a valuable resource for the scientific community and provides opportunities to investigate patterns of HIV-1 resistance and to develop new approaches aimed to overcome HIV-1 resistance to bnAbs.

60 APPLIED LIFE SCIENCES↗

Multiscale mechanical design of the lightweight, stiff, and damage-tolerant cuttlebone: A computational study

Cuttlebone, the endoskeleton of cuttlefish, offers an intriguing biological structural model for designing low-density cellular ceramics with high stiffness and damage tolerance. Cuttlebone is highly porous (porosity ~93%) and lightweight (density less than 20% of seawater), constructed mainly by brittle aragonite (95 wt%), but capable of sustaining hydrostatic water pressures over 20 atmospheres and exhibits energy absorption capability under compression comparable to many metallic foams (~4.4 kJ/kg). Here, in this work, we computationally investigate how such remarkable mechanical efficiency is enabled by the multiscale structure of cuttlebone. Using the common cuttlefish, Sepia Officinalis, as a model system, we first conducted high-resolution synchrotron micro-computed tomography (µ-CT) and quantified the cuttlebone's multiscale geometry, including the 3D asymmetric shape of individual walls, the wall assembly patterns, and the long-range structural gradient of walls across the entire cuttlebone (ca. 38 chambers). The acquired 3D structural information enables systematic finite-element simulations, which further reveal the multiscale mechanical design of cuttlebone: at the wall level, wall asymmetry provides optimized energy absorption while maintaining high structural stiffness; at the chamber level, variation of walls (number, pattern, and waviness amplitude) contributes to progressive damage; at the entire skeletal level, the gradient of chamber heights tailors the local mechanical anisotropy of the cuttlebone for reduced stress concentration. Our results provide integrated insights into understanding the cuttlebone's multiscale mechanical design and provide useful knowledge for the designs of lightweight cellular ceramics.

36 MATERIALS SCIENCE↗

An engineering evaluation of the Space Shuttle OMS engine after 5 orbital flights

Design features, performances on the first five flights, and condition of the Shuttle OMS engines are summarized. The engines were designed to provide a vacuum-fed 6000 lb of thrust and a 310 sec specific impulse, fueled by a combination of N2O4 and monomethylhydrazine (MMH) at a mixture ratio of 1.65. The design lifetime is 1000 starts and 15 hr of cumulative firing duration. The engine assembly is throat gimballed and features yaw actuators. No degradation of the hot components was observed during the first five flights, and the injector pattern maintained a uniform, enduring level of performance. An increase in the take-off loads have led to enhancing the wall thickness in the nozzle in affected areas. The engine is concluded to be performing to design specifications and is considered an operational system.

David, D.↗

A nanocryotron memory and logic family

The development of superconducting electronics based on nanocryotrons has been limited so far to few device circuits, in part due to the lack of standard and robust logic cells. Here, we introduce and experimentally demonstrate designs for a set of nanocryotron-based building blocks that can be configured and combined to implement memory and logic functions. The devices were fabricated by patterning a single superconducting layer of niobium nitride and measured in liquid helium on a wide range of operating points. The tests show 10 - 4 bit error rates with above ± 20 % margins up to 50 MHz and the possibility of operating under the effect of an out-of-plane 36 mT magnetic field, with ± 30 % margins at 10 MHz. Additionally, we designed and measured an equivalent delay-flip-flop made of two memory cells to show the possibility of combining multiple building blocks to make larger circuits. These blocks may constitute a solid foundation for the development of nanocryotron logic circuits and finite-state machines with potential applications in the integrated processing and control of superconducting nanowire single-photon detectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Iterative Learning Control for Video-rate Atomic Force Microscopy

We present a control scheme for video-rate atomic force microscopy with rosette pattern. The controller structure involves a feedback internal-model-based controller and a feedforward iterative learning controller. The iterative learning controller is designed to improve tracking performance of the feedback-controlled scanner by rejecting the repetitive disturbances arising from the system nonlinearities. We investigate the performance of two inversion techniques for constructing the learning filter. We conduct tracking experiments using a two-degree-of-freedom microelectromechanical system (MEMS) nanopositioner at frame rates ranging from 5 to 20 frames per second. Furthermore, the results reveal that the algorithm converges rapidly and the iterative learning controller significantly reduces both the transient and steady-state tracking errors. We acquire and report a series of high-resolution time-lapsed video-rate AFM images with the rosette pattern.

42 ENGINEERING↗

Non-Contacting Finger Seal Developments and Design Considerations

A three dimensional Navier-Stokes based code (CFD-ACE+/FEMSTRESS) was utilized to analyze the thermofluid behavior of a modified FS. The pressure patterns, mass flows and load carrying capabilities of this structure were assessed. It was found that even at a lower linear velocity of 216mps (708 fps) the geometry proposed has good lifting capability.

Proctor, Margaret P.↗

Conceptual performance of a satellite borne, wide swath synthetic aperture radar

A satellite borne synthetic aperture radar can image a wide swath in the order of 700 km with one-look 100-m resolution. If the design meets the ambiguity constraints at the far edge of the swath, the maximum swath width is independent of both radar wavelength and shape of the physical antenna aperture. The antenna pattern can be a pencil beam scanned in the elevation plane, or a fan beam formed by a long antenna. The scanning pencil beam antenna may be a phased array or multiple-feed reflector which may be more practical than a long antenna to image a wide swath. Design performance trade computations are presented involving resolution, swath width, antenna area, average transmitter power and digital data rate.

Tomiyasu, K.↗