Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “ORTHOGONAL FUNCTION”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 631 records · Page 35

NELL2-Robo3 complex structure reveals mechanisms of receptor activation for axon guidance

Axon pathfinding is critical for nervous system development, and it is orchestrated by molecular cues that activate receptors on the axonal growth cone. Robo family receptors bind Slit guidance cues to mediate axon repulsion. In mammals, the divergent family member Robo3 does not bind Slits, but instead signals axon repulsion from its own ligand, NELL2. Conversely, canonical Robos do not mediate NELL2 signaling. Here, we present the structures of NELL-Robo3 complexes, identifying a mode of ligand engagement for Robos that is orthogonal to Slit binding. We elucidate the structural basis for differential binding between NELL and Robo family members and show that NELL2 repulsive activity is a function of its Robo3 affinity and is enhanced by ligand trimerization. Our results reveal a mechanism of oligomerization-induced Robo activation for axon guidance and shed light on Robo family member ligand binding specificity, conformational variability, divergent modes of signaling, and evolution.

59 BASIC BIOLOGICAL SCIENCES↗

Microscopic Theory of Resonant Soft-X-Ray Scattering in Materials with Charge Order: The Example of Charge Stripes in High-Temperature Cuprate Superconductors

In this work, we present a microscopic theory of resonant soft-x-ray scattering that accounts for the delocalized character of valence electrons. Unlike past approaches based on local form factors, our functional determinant method treats realistic band structures. This method builds upon earlier theoretical work in mesoscopic physics and accounts for excitonic effects as well as the orthogonality catastrophe arising from interaction between the core hole and the valence band electrons. We show that the two-peak structure observed near the O K edge of stripe-ordered La 1.875 Ba 0.125 CuO 4 is due to dynamical nesting within the canonical cuprate band structure. Our results provide evidence for reasonably well-defined, high-energy quasiparticles in cuprates and establish resonant soft-x-ray scattering as a bulk-sensitive probe of the electron quasiparticles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Crystal structure of the new organic conductor (TSeF){sub 7}[FeNO(CN){sub 5}]{sub 2} with unusual molecular packing of conducting layer

X-ray single crystal diffraction study of the new molecular conductor (TSeF){sub 7}[FeNO(CN){sub 5}]{sub 2} has been carried out at room temperature and 130 K. The crystal structure is composed by layers of {pi}-electron donors TSeF, separated by anion layers along the a-direction. The conducting organic layer has unusual for molecular conductors arrangement of neutral monomeric and charged hexameric TSeF units orthogonally packed with respect to each other. Another specific feature of the structure is fully ordered state of the nitroprusside anion and deep penetrating of its functional NO-group into the adjacent organic layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Improving NOvA's Sterile Neutrino Search with the Booster Neutrino Beam

The NOvA experiment’s most recent search for eV-scale sterile neutrinos is systematically limited in the region of parameter space where $\Delta m^2_{41} \gtrsim 1~\mathrm{eV}^2$. This region of parameter space is preferred by sterile neutrino interpretations of current experimental anomalies; improving sensitivity here is high-priority. When added directly into the fit, additional data samples which are subject to orthogonal systematic uncertainties act as in-situ constraints, breaking the degeneracy between systematic uncertainties and sterile-induced oscillations. The NOvA experiment consists of two functionally identical detectors, 14.6 mrad off-axis of the NuMI beam, with the Near Detector (Far Detector) 1 km (810 km) from the beam source. The Near Detector’s position on-site at Fermilab means that it is also able to observe neutrinos from a second neutrino beam, the BNB, 160 mrad off-axis. NOvA has been taking BNB data since 2015, but has not yet analysed these data. The BNB and NuMI are subject to different beam-related uncertainties, allowing us to leverage this sample as an in-situ constraint. This poster will present the current status, preliminary simulations, and potential additional uses of this unique experimental setup

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

BETO 2021 Peer Review: Algae Biotechnology Partnership - Technology Area Session: Advanced Algae Systems

Development of advanced genetic and genomic tools for targeted algal metabolic engineering pursuits will be integral to achieving target biomass productivity and, ultimately, the BETO goal of cost-competitive biofuels derived from algal biomass by 2022. However, at present, broad-host-range tool development is currently hindered by strain-specific negative regulatory mechanisms. Indeed, the biological processes controlling algal transcription and translation are subject to complex host regulation, which often presents hurdles for targeted genetic engineering strategies. Advanced genetic approaches offer a means to rewire these regulatory systems and/or introduce novel functionality into algal biocatalysts. Synthetic systems biology approaches also present a means to construct novel genetic regulatory networks and rewire natural biological systems to establish an “orthogonal central dogma,” wherein non-native control elements are introduced into or evolved in host microbes for bypass of host control. To this end, the Algae Biotechnology Partnership aims to develop advanced genetic editing tools and synthetic and orthogonal genetic regulatory systems to enable universal metabolic engineering strategies in top-candidate deployment algal strains. Successful development will ultimately open the door for targeted strain-engineering strategies, aimed at maximizing algal outdoor biomass production, composition, and strain robustness.

biocatalysis↗

Generation of virtual monochromatic CBCT from dual kV/MV beam projections

Purpose: To develop a novel on-board imaging technique which allows generation of virtual monochromatic (VM) cone-beam CT (CBCT) with a selected energy from combined kilovoltage (kV)/megavoltage (MV) beam projections. Methods: With the current orthogonal kV/MV imaging hardware equipped in modern linear accelerators, both MV projections (from gantry angle of 0°–100°) and kV projections (90°–200°) were acquired as gantry rotated a total of 110°. A selected range of overlap projections between 90° to 100° were then decomposed into two material projections using experimentally determined parameters from orthogonally stacked aluminum and acrylic step-wedges. Given attenuation coefficients of aluminum and acrylic at a predetermined energy, one set of VM projections could be synthesized from two corresponding sets of decomposed projections. Two linear functions were generated using projection information at overlap angles to convert kV and MV projections at nonoverlap angles to approximate VM projections for CBCT reconstruction. The contrast-to-noise ratios (CNRs) were calculated for different inserts in VM CBCTs of a CatPhan phantom with various selected energies and compared with those in kV and MV CBCTs. The effect of overlap projection number on CNR was evaluated. Additionally, the effect of beam orientation was studied by scanning the CatPhan sandwiched with two 5 cm solid-water phantoms on both lateral sides and an electronic density phantom with two metal bolt inserts. Results: Proper selection of VM energy [30 and 40 keV for low-density polyethylene (LDPE), polymethylpentene, 2 MeV for Delrin] provided comparable or even better CNR results as compared with kV or MV CBCT. An increased number of overlap kV and MV projection demonstrated only marginal improvements of CNR for different inserts (with the exception of LDPE) and therefore one projection overlap was found to be sufficient for the CatPhan study. It was also evident that the optimal CBCT image quality was achieved when MV beams penetrated through the heavy attenuation direction of the object. Conclusions: A novel technique was developed to generate VM CBCTs from kV/MV projections. This technique has the potential to improve CNR at selected VM energies and to suppress artifacts at appropriate beam orientations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Shapes of primordial non-Gaussianities in the Horndeski's most general scalar-tensor theories

In the Horndeski's most general scalar-tensor theories, we derive the three-point correlation function of scalar non-Gaussianities generated during single-field inflation in the presence of slow-variation corrections to the leading-order term. Unlike previous works, the resulting bispectrum is valid for any shape of non-Gaussianities. In the squeezed limit, for example, this gives rise to the same consistency relation as that derived by Maldacena in standard single-field slow-roll inflation. We estimate the shape close to the squeezed one at which the effect of the term inversely proportional to the scalar propagation speed squared begins to contribute to the bispectrum. We also show that the leading-order bispectrum can be expressed by the linear combination of two convenient bases whose shapes are highly correlated with equilateral and orthogonal types respectively. We present concrete models in which the orthogonal and enfolded shapes can dominate over the equilateral one.

79 ASTRONOMY AND ASTROPHYSICS↗

Rewritable Surface‐Grafted Polymer Brushes with Dynamic Covalent Linkages

Abstract Surface grafting of polymer brushes drastically modifies surface properties, including wettability, compatibility, responsiveness, etc. A broad variety of functionalities can be introduced to the surface via different types of polymers. Bringing together properties of two or more types of polymer brushes to one surface opens up even more possibilities in brush‐modified materials. However, while it is generally feasible to introduce several chemical compositions along the brushes via copolymerization, it is challenging to vary the types of polymer brushes along a surface. Although previous studies have demonstrated binary brushes via orthogonal polymerization techniques or partial deactivation/regrafting, they commonly limit the number of polymer types to two. Here, we propose a strategy to introduce dynamic covalent diketoenamine linkages at the root of polymer brushes. The grafting density could be precisely tuned during surface functionalization. The surface‐anchored polymer brushes were cleaved by the addition of small molecule amines. New polymer brushes can be regrafted from the surface following refunctionalization of exposed sites. The maneuverability allows tuning of the types and densities of the polymer brushes, pointing the way to the preparation of a new generation of well‐defined brush‐modified materials with mixed grafts, with potential applications in the design of smart materials and surfaces.

Cui, Feichen↗

Improved Variable-Transformation Algorithm for the Hexagonal Variational Nodal Method

Hexagonal Variational Nodal Method (VNM) has been widely employed in fast reactor core calculation codes. It provides the weak form solution of the second order transport equation. It employs a direct three-dimensional expansion instead of the transverse integration technique, with the singular term caused by transverse integration over the hexagonal nodal avoided. However, as the increasing Pn expansion order in angle, the number of moments increases dramatically, which significantly increases the requirements in both memory and computational time. As a consequence, Yang proposed the Variable-Transformation Algorithm. It firstly used the reverse Cuthill-McKee (RCMK) reordering method to transform the response matrices into block-diagonal. Then, for the unreducible matrices, orthogonal transformation was applied, after which the matrices were sparse enough to be reduced by using the RCMK reordering once more. In this summary, based on a newly developed hexagonal VNM code NECP-VioletHex, the Variable Transformation Algorithm was investigated and improved by adopting more constraints to the basis functions to further take advantage of the symmetric properties of the hexagonal-z nodes. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Monolithically integrated Helmholtz coils by 3-dimensional printing

3D printing technology is of great interest for the monolithic fabrication of integrated systems; however, it is a challenge to introduce metallic components into 3D printed molds to enable broader device functionality. Here, we develop a technique for constructing a multi-axial Helmholtz coil by injecting a eutectic liquid metal Gallium Indium alloy (EGaIn) into helically shaped orthogonal cavities constructed in a 3D printed block. The tri-axial solenoids each carry up to 3.6 A of electrical current and produce magnetic field up to 70 G. Within the central section of the coil, the field variation is less than 1% and is in agreement with theory. The flow rates and critical pressures required to fill the 3D cavities with liquid metal also agree with theoretical predictions and provide scaling trends for filling the 3D printed parts. These monolithically integrated solenoids may find future applications in electronic cell culture platforms, atomic traps, and miniaturized chemical analysis systems based on nuclear magnetic resonance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Metallic stereostructured layer: An approach for broadband polarization state manipulation

In this letter, we report a full-metallic broadband wave plate assembled by standing metallic L-shaped stereostructures (LSSs). We show that with an array of LSSs, high polarization conversion ratio is achieved within a broad frequency band. Moreover, by rotating the orientation of the array of LSSs, the electric components of the reflection beam in two orthogonal directions and their phase difference can be independently tuned. In this way, all the polarization states on the Poincaré sphere can be realized. As examples, the functionalities of a quarter wave plate and a half wave plate are experimentally demonstrated with both reflection spectra and focal-plane-array imaging. Our designing provides a unique approach in realizing the broadband wave plate to manipulate the polarization state of light.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories. We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. In conclusion, despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.

74 ATOMIC AND MOLECULAR PHYSICS↗

On-lattice kinetic Monte Carlo approaches for modeling molecular anisotropy in resveratrol crystallization

Stilbenes are a class of organic compounds with broad-ranging pharmaceutical and agricultural applications, which are typically isolated and purified through recrystallization. We are motivated by reducing experimental waste and optimizing yield via developing predictive simulations for processing-dependent crystal morphologies. Using resveratrol as a model stilbene system, we have developed an approach for simulating crystallization with molecular resolution using on-lattice kinetic Monte Carlo. In this work, we highlight modifications to the Stochastic Parallel PARticle Kinetic Simulator (SPPARKS) software package, which were essential to this application. Key enhancements include the incorporation of non-orthogonal cell shapes and monomer anisotropy approximations using bound hard spheres. This new SPPARKS application has been applied to resveratrol with attachment energy libraries obtained from density functional theory, resulting in excellent agreement with experimental morphology prediction.

crystallization↗

Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian

Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is highly successful for treating weakly correlated systems, but fails under strong correlation unless one sacrifices good quantum numbers and works with broken-symmetry wave functions, which is unphysical for finite systems. Symmetry projection is effective for the treatment of strong correlation at the mean-field level through multireference non-orthogonal configuration interaction wavefunctions, but unlike coupled cluster, it is neither size extensive nor ideal for treating dynamic correlation. We here examine different scenarios for merging these two dissimilar theories. We carry out this exercise over the integrable Lipkin model Hamiltonian, which despite its simplicity, encompasses non-trivial physics for degenerate systems and can be solved via diagonalization for a very large number of particles. We show how symmetry projection and coupled cluster doubles individually fail in different correlation limits, whereas models that merge these two theories are highly successful over the entire phase diagram. Despite the simplicity of the Lipkin Hamiltonian, the lessons learned in this work will be useful for building an ab initio symmetry projected coupled cluster theory that we expect to be accurate in the weakly and strongly correlated limits, as well as the recoupling regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical construction of the Hill functions.

As an aid in the numerical construction of Hill functions and their derivatives, an algorithm using local coordinates and an expansion in Legendre polynomials is proposed. The algorithm is shown to possess sufficient stability, and the orthogonality of the Legendre polynomials simplifies the computation when the Ritz-Galerkin technique is used.

Segethova, J.↗

Design of a walking robot

Carnegie Mellon University's Autonomous Planetary Exploration Program (APEX) is currently building the Daedalus robot; a system capable of performing extended autonomous planetary exploration missions. Extended autonomy is an important capability because the continued exploration of the Moon, Mars and other solid bodies within the solar system will probably be carried out by autonomous robotic systems. There are a number of reasons for this - the most important of which are the high cost of placing a man in space, the high risk associated with human exploration and communication delays that make teleoperation infeasible. The Daedalus robot represents an evolutionary approach to robot mechanism design and software system architecture. Daedalus incorporates key features from a number of predecessor systems. Using previously proven technologies, the Apex project endeavors to encompass all of the capabilities necessary for robust planetary exploration. The Ambler, a six-legged walking machine was developed by CMU for demonstration of technologies required for planetary exploration. In its five years of life, the Ambler project brought major breakthroughs in various areas of robotic technology. Significant progress was made in: mechanism and control, by introducing a novel gait pattern (circulating gait) and use of orthogonal legs; perception, by developing sophisticated algorithms for map building; and planning, by developing and implementing the Task Control Architecture to coordinate tasks and control complex system functions. The APEX project is the successor of the Ambler project.

Whittaker, William↗

Analysis of Sample Acquisition Dynamics Using Discrete Element Method

The analysis presented in this paper is conducted in the framework of the Ocean Worlds Autonomy Testbed for Exploration Research and Simulation (OceanWATERS) project, currently under development at NASA Ames Research Center. OceanWATERS aims at designing a simulation environment which allows for testing autonomy of scientific lander missions to the icy moons of our solar system. Mainly focused on reproducing the end effector interaction with the inherent terrain, this paper introduces a novel discrete element method (DEM)-based approach to determine forces and torques acting on the lander’s scoop during the sample acquisition process. An accurate force feedback from the terrain on the scoop is required by fault-detection and autonomous decision-making algorithms to identify when the requested torque on the robotic arm’s joints exceeds the maximum available torque. Knowledge of the terrain force feedback significantly helps evaluating the arm’s links structural properties and properly selecting actuators for the joints. Models available in literature constitute a partial representation of the dynamics of the interaction. As an example, Balovnev derived an analytical expression of the vertical and horizontal force acting on a bucket while collecting a sample as a function of its geometry and velocity, soil parameters and reached depth. Although the model represents an adequate approximation of the two force components, it ignores the direction orthogonal to the scoop motion and neglects the torque. This work relies on DEM analysis to compensate for analytical models’ deficiencies and inaccuracies, i. e. provide force and torque 3D vectors, defined in the moving reference (body) frame attached to the scoop, at each instant of the sample collection process. Results from the first presented analysis relate to the specific OceanWATERS sampling strategy, which consists of collecting the sample through five consecutive passes with increasing depth, each pass following the same circularlinear- circular trajectory. Data is collected given a specific scoop design interacting with two types of bulk materials, which may characterize the surface of icy planetary bodies: snow and ice. Although specifically concerned with the OceanWATERS design, this first analysis provides the expected force trends for similar sampling strategies and allows to deduce phenomenological information about the general scooping process. In order to further instruct the community on the use of DEM tools as a solution to the sampling collection problem, two more analyses have been carried out, mainly focused on reducing the DEM computation time, which increases with a decrease in particle size. After running a set of identical simulations, where the only changing parameter is the size of the spherical particle, it is observed that the resulting force trajectories, starting from a given particle size, converge to the true trend. It is deducible that a further decrease in size yields negligible improvements in the accuracy, while it sensibly increases computation time. A final analysis aims at discussing limitations of approximating bulk material particles having a complex shape, e. g. ice fragments, with spheres, by comparing force trends resulting in the two cases for the same simulation scenario.

Catanoso, Damiana↗

Transverse Orientation of Acid Layers in the Crystallites of a Precise Polymer

Recently we reported an unusual multilayered structure in a linear polyethylene containing precisely periodic carboxylic acid groups pendant to every 21st carbon atom (p21AA). Within the ordered domains, p21AA executes tight chain folds at the location of each acid group, and the chainfold surfaces participate in hydrogen bonds with adjacent fold surfaces to form acid-rich layers. In this work, we investigate the bulk morphologies of p21AA after isothermal crystallization and, using X-ray scattering and polarized optical microscopy, find p21AA to be semicrystalline. By analyzing X-ray peak widths, creating real-space models of lamellae, and performing in-situ X-ray scattering during tensile deformation, we find that, contrary to the typical structure of polymer crystallites, the polymer stems lie in the plane of the lamellae such that the acid layers are transverse (within 30° of orthogonal) to the crystallite plane. This surprising structure, not reported before to our knowledge, could be useful for designing semicrystalline membranes because, given the appropriate chemistry, layers of functional groups could provide pathways for small molecule, ion, or proton transport through crystallites. We expect this novel structure to be accessible in similarly designed crystallizable polymers that contain evenly spaced, moderately sized, associating side groups.

36 MATERIALS SCIENCE↗