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At least 757 records · Page 42

Semiconducting Copolymers with Naphthalene Imide/Amide π‐Conjugated Units: Synthesis, Crystallography, and Systematic Structure‐Property‐Mobility Correlations

Abstract In a series of n‐type semiconducting naphthalene tetracarboxydiimide ( NDI )‐dithiophene ( T2 ) copolymers, structural and electronic properties trends are systematically evaluated as the number of NDI carbonyl groups is reduced from 4 in NDI to 3 in NBL (1‐amino‐4,5‐8‐naphthalene‐tricarboxylic acid‐1,8‐lactam‐4,5‐imide) to 2 in NBA (naphthalene‐bis(4,8‐diamino‐1,5‐dicarboxyl)‐amide). As the NDI ‐ T2 backbone torsional angle falls the LUMO energy rises. However, the thienyl attachment regiochemistry also plays an important role in less symmetric NBL and NBA . Electron mobility is greatest for N2200 (0.17 cm 2 V −1 s −1 ) followed by PNBL‐3,8‐T2 and PNBA‐2,6‐T2 (0.11 cm 2 V −1 s −1 ), 0.02 cm 2 V −1 s −1 in PNBL‐4,8‐T2 , and negligible in PNBA‐3,7‐T2 . Charge transport reflects a delicate balance between electronic backbone communication (optimum for N2200 and PNBL‐4,8‐T2 ), backbone planarity (optimum for PNBA‐2,6‐T2 and PNBL‐3,8‐T2 ), LUMO energy (optimum for N2200 ), π–π stacking distance (optimum for PNBA‐2,6‐T2 ), and film crystallinity (optimum for PNBA‐2,6‐T2 and N2200 ). These results offer generalizable insight into semiconducting copolymer design.

Chen, Yao↗

Semiconducting Copolymers with Naphthalene Imide/Amide π-Conjugated Units: Synthesis, Crystallography, and Systematic Structure-Property-Mobility Correlations

Here, in a series of n-type semiconducting naphthalene tetracarboxydiimide (NDI)-dithiophene (T2) copolymers, structural and electronic properties trends are systematically evaluated as the number of NDI carbonyl groups is reduced from 4 in NDI to 3 in NBL (1-amino-4,5-8-naphthalene-tricarboxylic acid-1,8-lactam-4,5-imide) to 2 in NBA (naphthalene-bis(4,8-diamino-1,5-dicarboxyl)-amide). As the NDI-T2 backbone torsional angle falls the LUMO energy rises. However, the thienyl attachment regiochemistry also plays an important role in less symmetric NBL and NBA. Electron mobility is greatest for N2200 (0.17 cm 2 V –1 s –1 ) followed by PNBL-3,8-T2 and PNBA-2,6-T2 (0.11 cm 2 V –1 s –1 ), 0.02 cm 2 V –1 s –1 in PNBL-4,8-T2, and negligible in PNBA-3,7-T2. Charge transport reflects a delicate balance between electronic backbone communication (optimum for N2200 and PNBL-4,8-T2), backbone planarity (optimum for PNBA-2,6-T2 and PNBL-3,8-T2), LUMO energy (optimum for N2200), π–π stacking distance (optimum for PNBA-2,6-T2), and film crystallinity (optimum for PNBA-2,6-T2 and N2200). These results offer generalizable insight into semiconducting copolymer design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The mesoscale order of nacreous pearls

A pearl’s distinguished beauty and toughness are attributable to the periodic stacking of aragonite tablets known as nacre. Nacre has naturally occurring mesoscale periodicity that remarkably arises in the absence of discrete translational symmetry. Gleaning the inspiring biomineral design of a pearl requires quantifying its structural coherence and understanding the stochastic processes that influence formation. By characterizing the entire structure of pearls (~3 mm) in a cross-section at high resolution, we show that nacre has medium-range mesoscale periodicity. Self-correcting growth mechanisms actively remedy disorder and topological defects of the tablets and act as a countervailing process to long-range disorder. Nacre has a correlation length of roughly 16 tablets (~5.5 µm) despite persistent fluctuations and topological defects. For longer distances (>25 tablets ~8.5 µm), the frequency spectrum of nacre tablets follows f –1.5 behavior, suggesting that growth is coupled to external stochastic processes—a universality found across disparate natural phenomena, which now includes pearls.

36 MATERIALS SCIENCE↗

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

Memory Analysis Tool

This tool traces all memory accesses to stack (static allocation) and heap (dynamic allocation) on a trace run in a particular hardware and then estimates execution time on given arbitrary hardware configurations for hardware design space exploration. It can also compute memory access statistics, such as reuse distance.

Sato, Kento↗

Twistable mold for helicopter blades

Design is described of mold for fabrication of blades composed of sets of aerodynamic shells having same airfoil section characteristics but different distributions. Mold consists of opposing stacks of thin templates held together by long bolts. When bolts are loosened, templates can be set at different positions with respect to each other and then locked in place.

Carter, E. S.↗

Advanced photovoltaic power systems using tandem GaAs/GaSb concentrator modules

In 1989, Boeing announced the fabrication of a tandem gallium concentrator solar cell with an energy conversion efficiency of 30 percent. This research breakthrough has now led to panels which are significantly smaller, lighter, more radiation resistant, and potentially less expensive than the traditional silicon flat plate electric power supply. The new Boeing tandem concentrator (BTC) module uses an array of lightweight silicone Fresnel lenses mounted on the front side of a light weight aluminum honeycomb structure to focus sunlight onto small area solar cells mounted on a thin back plane. This module design is shown schematically. The tandem solar cell in this new module consists of a gallium arsenide light sensitive cell with a 24 percent energy conversion efficiency stacked on top of a gallium antimonide infrared sensitive cell with a conversion efficiency of 6 percent. This gives a total efficiency 30 percent for the cell-stack. The lens optical efficiency is typically 85 percent. Discounting for efficiency losses associated with lens packing, cell wiring, and cell operating temperature still allows for a module efficiency of 22 percent which leads to a module power density of 300 Watts/sq. m. This performance provides more than twice the power density available from a single crystal silicon flat plate module and at least four times the power density available from amorphous silicon modules. The fact that the lenses are only 0.010 ft. thick and the aluminum foil back plane is only 0.003 ft. thick leads to a very lightweight module. Although the cells are an easy to handle thickness of 0.020 ft., the fact that they are small, occupying one-twenty-fifth of the module area, means that they add little to the module weight. After summing all the module weights and given the high module power, we find that we are able to fabricate BTC modules with specific power of 100 watts/kg.

Fraas, L. M.↗

Antenna Designs for the Mars Exploration Rovers (MER) Spacecraft, Lander, and Rover

This presentation focuses on the design of antennas for the Mars Exploration Rovers (MER). Specific topics covered include: MER spacecraft architecture, the evolution of an antenna system, MER cruise stage antennas, antenna stacks, the heat-shield/back shell antenna, and lander and rover antennas. Additionally, the mission's science objectives are reviewed.

antennas↗

Human Factors Operability Timeline Analysis to Improve the Processing Flow of the Orion Spacecraft

This slide presentation reviews the use of Human factors and timeline analysis to have a more efficient and effective processing flow. The solution involved developing a written timeline of events that included each activity within each functional flow block. Each activity had computer animation videos and pictures of the people involved and the hardware. The Human Factors Engineering Analysis Tool (HFEAT) was improved by modifying it to include the timeline of events. The HFEAT was used to define the human factors requirements and design solutions were developed for these requirements. An example of a functional flow block diagram is shown, and a view from one of the animations (i.e., short stack pallet) is shown and explained.

Stambolian, Damon B.↗

Manufacturing Cost Analysis for PEM Electrolyzers and Perspectives for Future Cost Reduction

Electrolyzer capital costs strongly influence the total levelized cost of hydrogen production and have implications for hydrogen deployment. Current electrolyzer costs are high, and large cost reductions may be needed to achieve competitive hydrogen costs and targets. Understanding pathways for cost reduction via R&D and deployment is a critical research area for informed energy planning and enabling hydrogen use. This work presents bottom-up cost estimates of polymer electrolyte membrane (PEM) electrolyzer systems tied to design specifications and discusses perspectives for cost reduction opportunities based on ongoing research. We use a detailed manufacturing and process model for a 1 MW PEM electrolyzer stack and balance of plant (BOP) for rigorous cost estimation. This allows for robust estimates of component and manufacturing costs and examination of key cost contributors. Stack costs are dominated by material costs such as iridium and platinum catalysts, especially at high manufacturing rates; power electronics and hydrogen purification equipment are the largest contributors to BOP cost. At higher manufacturing rates, better equipment utilization could reduce stack costs significantly, and we estimate that experience and bulk purchasing will allow for cost reductions to some BOP components. Still, many well-established BOP technologies and stack material costs are less likely to see significant cost reductions at high manufacturing rates. As such, manufacturing scale is limited in how much it can reduce electrolyzer costs, and additional advances for cost reduction may be needed to achieve cost targets. It will likely take many combined strategies to achieve significant cost reductions for electrolyzers and enable low-cost hydrogen production. We can use our manufacturing cost model to quantify potential cost reductions from the considerations described above and demonstrate pathways to lower cost electrolyzers. This allows for better understanding of cost reduction strategies and enables more informed research, development, and deployment for electrolyzers.

cost↗

A Deformed Geometry Synthesis Technique for Determining Stacking and Cryogenically Induced Preloads for the Space Launch System

The Space Launch System (SLS) stacking and Core Stage (CS) fueling induce significant preloads that contribute to the liftoff pad separation “twang”. To accurately capture this, an approach is required that can replicate the physics of all SLS physical stacking steps, CS cryogenic shrinkage, associated geometric nonlinearities, and the transient behavior and decay of the preloads with changing boundary conditions as the vehicle separates from the pad. The Deformed Geometry Synthesis (DGS) approach presented here satisfies the above requirements. DGS determines induced preloads by modeling components in their deformed geometry states and then enforcing compatibility by closing the resulting “deadbands”. DGS seamlessly integrates into the multibody modal synthesis framework and does not require the use of artificial external loads to enforce preloads or post-processing steps to remove their influence. Since DGS iterates to solve for the deformed state inclusive of geometric nonlinearities, running linearized parametrics to exercise different potential orientations of ball jointed struts that connect the CS to Boosters for cryo-shrinkage analyses is entirely avoided. Relative to the transient behavior and decay of stacking and cryo-induced preloads with SLS liftoff pad separation, this is an area of considerable interest to the SLS program. To capture this in the most accurate way possible, DGS algorithms are designed to work with Henkel-Mar nonlinear pad separation algorithms which operate on the separating longitudinal and lateral degrees of freedom (DoFs) between the vehicle and the pad. As the separating DoFs release, in whatever manner as dictated by the interface geometries, interface loads and interface flexibilities as well as the external loading on the vehicle, the subject preloads generate a complex twang/decay time-trace as dictated by the physics of the problem. This paper presents DGS numerical verification against the closed-form solution for Timoshenko’s 3 ball-jointed strut preload problem. This problem is then extended by the authors to the geometric nonlinear case where DGS is compared to the Newton-Raphson solution of the nonlinear equations. Next, DGS is utilized to solve the SLS stacking and cryogenic shrinkage coupled loads analyses. Finally, Henkel-Mar pad separation simulations are executed that isolate the impact of the induced preloads’ twang and decay characteristics.

Space Launch System↗

Peptide nucleic acid Hoogsteen strand linker design for major groove recognition of DNA thymine bases

Sequence-specific targeting of double-stranded DNA and non-coding RNA via triple-helix-forming peptide nucleic acids (PNAs) has attracted considerable attention in therapeutic, diagnostic and nanotechnological fields. An E-base (3-oxo-2,3-dihydropyridazine), attached to the polyamide backbone of a PNA Hoogsteen strand by a side-chain linker molecule, is typically used in the hydrogen bond recognition of the 4-oxo group of thymine and uracil nucleic acid bases in the major groove. We report on the application of quantum chemical computational methods, in conjunction with spatial constraints derived from the experimental structure of a homopyrimidine PNA·DNA-PNA hetero-triplex, to investigate the influence of linker flexibility on binding interactions of the E-base with thymine and uracil bases in geometry-optimised model systems. Hydrogen bond formation between the N2 E-base atom and target pyrimidine base 4-oxo groups in model systems containing a β-alanine linker (J Am Chem Soc 119:11116, 1997) was found to incur significant internal strain energy and the potential disruption of intra-stand aromatic base stacking interactions in an oligomeric context. Additionally, in geometry-optimised model systems containing a 3-trans olefin linker (Bioorg Med Chem Lett 14:1551, 2004) the E-base swung out away from the target pyrimidine bases into the solvent. These findings are in qualitative agreement with calorimetric measurements in hybridisation experiments at T–A and U–A inversion sites. In contrast, calculations on a novel 2-cis olefin linker design indicate that it could permit simultaneous E-base hydrogen bonding with the thymine 4-oxo group, circumvention and solvent screening of the thymine 5-methyl group, and maintenance of triplex intra-stand base stacking interactions.

59 BASIC BIOLOGICAL SCIENCES↗

A Dual Linear/Circular Polarized Wideband Flat Panel Phased Array Antenna for K/Ka-band 6U CubeSat Communications Applications

Circular polarized (CP) electromagnetic waves are preferred for space-to-space and space-to-ground satellite communications (SATCOM). CubeSats with 6U sizes (1U represents a 10 cm x 10 cm x 10 cm), that will rotate together with the Moon as it orbits Earth require high gain CP antenna systems to maintain reliable communication links. Here, we have designed an 8x8 dual linear and dual circularly polarized phased array antenna (PAA) aperture that offers 22-28 GHz bandwidth, with maximum gain of 23 dBic, and beam scanning capability of ±50o with acceptable axial ratio over all scan angles. A stacked patch topology is selected to achieve wide impedance bandwidth. Each driven patch has two via feed point locations that are connected to grounded coplanar waveguide (CPW) feed structures. By utilizing phase shifters from the Anokiwave RFICs (AWMF-0165) employed for the beamforming network (BFN), we have generated both dual linear polarization and dual circular polarization in each patch. Each driven and parasitic patch is innovatively shaped to achieve excellent isolation between two feed points which, in turn, leads to low cross polarization, high efficiency and good axial ratio over the entire bandwidth. Each chip has eight outputs which feed one 2x2 sub-array consisting of four dual linear or dual circularly polarized driven patches, simultaneously. Each 2x2 sub-array of the 8x8 array are sequentially rotated which improves axial ratio performance when the antenna operates in the dual circularly polarized mode. By utilizing a mirror effect, cross-polarized fields are also improved when operated in a dual linear polarized mode. The 8x8 array aperture is simulated taking into account the effect of the multilayer printed circuit board (PCB) stack-up of the BFN and co-simulated with the power splitter outputs and chip outputs and results are compared with only passive array performance. The performance of the antenna is still excellent when non-ideal chip performances are included in the simulation analysis. The fabricated array will be tested for radiation patterns in the Antenna and Microwave Laboratory (AML) of the San Diego State University and the NASA Glenn Research Center (GRC) spherical near field chambers. The design of the 8x8 antenna array with BFN layout is shown in Fig. 1.

5G↗

Leveraging operational information from wastewater injection wells to evaluate CO 2 injection performance for carbon storage applications in the Appalachian Basin

Abstract Geologic parameters, geophysical logging, injection testing, and operational metrics from wastewater injection wells were integrated to develop a preliminary design of a carbon storage facility in the Appalachian Basin. A scattered group of 10–20 commercial wastewater injection wells dispose off produced water from oil and gas wells in the region, utilizing a sequence of stacked deep saline formations for injection zones. These wastewater injection wells provide practical benchmarks for understanding the feasibility of carbon dioxide (CO 2 ) storage. Geologic models were developed based on characterization data from the wastewater injection wells. Reservoir simulations were calibrated according to injection testing and operational data from the wastewater injection wells. Long‐term operational data on injection flow rates and pressures measured in the wastewater injection wells were especially useful to evaluate the performance of carbon storage applications. The simulations were used to estimate injection pressures, radius of CO 2 saturation, and pressure response for industrial scale CO 2 storage applications. Results were also used to provide a design basis in terms of number of injection wells, well spacing, area of review, injection system components, monitoring plan, and CO 2 pipeline distribution system. The analysis demonstrates that there is sufficient injectivity in the deep saline formations in the west‐central Appalachian Basin to store commercial volumes of anthropogenic CO 2 . The geologic system appears suitable for supporting CO 2 injection rates of 0.5–1.0 million metric tons per year at injection pressures below formation fracture pressure in a single well. The long‐term operational data of wastewater injection wells within the study area suggested a lower permeability‐thickness values than indicated by initial reservoir tests. A workflow for developing realistic permeability values for input into reservoir simulations is presented. © 2020 Society of Chemical Industry and John Wiley & Sons, Ltd.

Valluri, Manoj↗

Computer program for definition of transonic axial-flow compressor blade rows

A method is presented for designing axial-flow compressor blading from blade elements defined on cones which pass through the blade-edge streamline locations. Each blade-element centerline is composed of two segments which are tangent to each other. The centerline and surfaces of each segment have constant change of angle with path distance. The stacking line for the blade elements can be leaned in both the axial and tangential directions. The output of the computer program gives coordinates for fabrication and properties for aeroelastic analysis for planar blade sections. These coordinates and properties are obtained by interpolation across conical blade elements. The program is structured to be coupled with an aerodynamic design program.

Crouse, J. E.↗

3rd harmonic magnetometry assessment of NbTiN-based SIS structures

In the quest for alternative superconducting materials to bring accelerator cavity performance beyond the bulk niobium (Nb) intrinsic limits, a promising concept proposes that superconductor-insulator-superconductor (SIS) thin film structures can delay magnetic flux penetration in accelerator cavities to higher fields [1]. NbTiN is a candidate superconductor for such structures. We have demonstrated high quality NbTiN and AlN deposited by reactive direct current magnetron sputtering (DCMS), both for individual layers and multilayers. Interface quality has been assessed for bi-layer stacks with various NbTiN and AlN thicknesses from 500 and 30 nm down to 3 and 1 nm. These SIS structures show continued sharp interfaces. The Hfp enhancement of the films was examined with 3rd harmonic magnetometry. The system was designed and built in an ongoing collaboration with CEA Saclay. It can measure 1? to 2? samples on a temperature controlled stage. This contribution presents the assessment of the first penetration field enhancement with 3rd harmonic magnetometry for standalone films and multilayer nanostructures.

Valente, Anne-Marie↗

Diaphragm Pump With Resonant Piezoelectric Drive

A diaphragm pump driven by a piezoelectric actuator is undergoing development. This pump is intended to be a prototype of lightweight, highly reliable pumps for circulating cooling liquids in protective garments and high-power electronic circuits, and perhaps for some medical applications. The pump would be highly reliable because it would contain no sliding seals or bearings that could wear, the only parts subject to wear would be two check valves, and the diaphragm and other flexing parts could be designed, by use of proven methods, for extremely long life. Because the pump would be capable of a large volumetric flow rate and would have only a small dead volume, its operation would not be disrupted by ingestion of gas, and it could be started reliably under all conditions. The prior art includes a number piezoelectrically actuated diaphragm pumps. Because of the smallness of the motions of piezoelectric actuators (typical maximum strains only about 0.001), the volumetric flow rates of those pumps are much too small for typical cooling applications. In the pump now undergoing development, mechanical resonance would be utilized to amplify the motion generated by the piezoelectric actuator and thereby multiply the volumetric flow rate. The prime mover in this pump would be a stack of piezoelectric ceramic actuators, one end of which would be connected to a spring that would be part of a spring-and-mass resonator structure. The mass part of the resonator structure would include the pump diaphragm (see Figure 1). Contraction of the spring would draw the diaphragm to the left, causing the volume of the fluid chamber to increase and thereby causing fluid to flow into the chamber. Subsequent expansion of the spring would push the diaphragm to the right, causing the volume of the fluid chamber to decrease, and thereby expelling fluid from the chamber. The fluid would enter and leave the chamber through check valves. The piezoelectric stack would be driven electrically to make it oscillate at the resonance frequency of the spring and- mass structure. This frequency could be made high enough (of the order of 400 Hz) that the masses of all components could be made conveniently small. The resonance would amplify the relatively small motion of the piezoelectric stack (a stroke of the order of 10 m) to a diaphragm stroke of the order of 0.5 mm. The exact amplification factor would depend on the rate of damping of oscillations; this, in turn, would depend on details of design and operation, including (but not limited to) the desired pressure rise and volumetric flow rate. In order to obtain resonance with large displacement, the damping rate must be low enough that the energy imparted to the pumped fluid on each stroke is much less than the kinetic and potential energy exchanged between the mass and spring during each cycle of oscillation. To minimize the power demand of the pump, a highly efficient drive circuit would be used to excite the piezoelectric stack. This circuit (see Figure 2) would amount to a special-purpose regenerative, switching power supply that would operate in a power-source mode during the part of an oscillation cycle when the excitation waveform was positive and in a power-recovery mode during the part of the cycle when the excitation waveform was negative. The circuit would include a voltage-boosting dc-to-dc converter that would convert between a supply potential of 24 Vdc and the high voltage needed to drive the piezoelectric stack. Because of the power-recovery feature, the circuit would consume little power. It should be possible to build the circuit as a compact unit, using readily available components.

Izenson, Michael G.↗

Minimizing Energy Loss by Designing Multifunctional Solid Additives to Independent Regulation of Donor and Acceptor Layers for Efficient LBL Polymer Solar Cells

Solid additives are crucial in layer-by-layer (LBL) polymer solar cells (PSCs). Despite its importance, the simultaneous application of solid additives into both donor and acceptor layers has been largely overlooked. In this work, two multifunctional solid additives are actively designed, and investigated the synergistic effect on both donor and acceptor layers. Incorporating the multifunctional solid additives into the donor layer could effectively enhance the aggregation and molecular stacking of the donor polymer, leading to reduced energy disorder and minimizing ΔE 2 . When the multifunctional solid additives are introduced into the acceptor layer, they just play a role in optimizing the morphology, thereby reducing the ΔE 3 . Excitedly, the simultaneous addition of the multifunctional solid additives into both donor and acceptor layers produced a synergistic effect for decreasing ΔE 2 and ΔE 3 simultaneously, especially adding SA2, thus enabling an excellent power conversion efficiency (PCE) of 19.95% (certified as 19.68%) with an open-circuit voltage (V oc ) of 0.921 V, a short circuit current density (J sc ) of 27.08 mA cm -2 and a fill factor (FF) of 79.98%. The work highlights the potential of multifunctional solid additives in independently regulating the properties of donor and acceptor layers, which is expected as a promising approach for further developing higher performance PSCs.

36 MATERIALS SCIENCE↗