On the formation and origin of substorm growth phase/onset auroral arcs inferred from conjugate space‐ground observations
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T. Motoba↗
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Results for “conjugate spaces”
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Efficient Fourier transforms for transverse momentum dependent distributions
Hadron production at low transverse momenta in semi-inclusive deep inelastic scattering can be described by transverse momentum dependent (TMD) factorization. This formalism has also been widely used to study the Drell-Yan process and back-to-back hadron pair production in $e^+e^-$ collisions. These processes are the main ones for extractions of TMD parton distribution functions and TMD fragmentation functions, which encode important information about nucleon structure and hadronization. One of the most widely used TMD factorization formalism in phenomenology formulates TMD observables in coordinate $b_\perp$-space, the conjugate space of the transverse momentum. The Fourier transform from $b_\perp$-space back into transverse momentum space is sufficiently complicated due to oscillatory integrands that it requires a careful and computationally intensive numerical treatment in order to avoid potentially large numerical errors. Within the TMD formalism, the azimuthal angular dependence is analytically integrated and the two-dimensional $b_\perp$ integration reduces to a one-dimensional integration over the magnitude $b_\perp$. In this paper we develop a fast numerical Hankel transform algorithm for such a $b_\perp$-integration that improves the numerical accuracy of TMD calculations in all standard processes. Libraries for this algorithm are implemented in Python 2.7 and 3, C++, as well as FORTRAN77. All packages are made available open source.
97 MATHEMATICS AND COMPUTING↗
Mediated Inner‐Sphere Electron Transfer Induces Homogeneous Reduction of CO 2 via Through‐Space Electronic Conjugation**
Abstract The electrocatalytic reduction of CO 2 is an appealing method for converting renewable energy sources into value‐added chemical feedstocks. We report a co‐electrocatalytic system for the reduction of CO 2 to CO comprised of a molecular Cr complex and dibenzothiophene‐5,5‐dioxide (DBTD) as a redox mediator, which achieves high activity (TOF=1.51–2.84×10 5 s −1 ) and quantitative selectivity. Under aprotic or protic conditions, DBTD produces a co‐electrocatalytic response with 1 by coordinating trans to the site of CO 2 binding and mediating electron transfer from the electrode with quantitative efficiency for CO. This assembly is reliant on through‐space electronic conjugation between the π frameworks of DBTD and the bpy fragment of the catalyst ligand, with contributions from dispersive interactions and weak sulfone coordination.
Hooe, Shelby L.↗
Mediated Inner–Sphere Electron Transfer Induces Homogeneous Reduction of CO 2 via Through–Space Electronic Conjugation
The electrocatalytic reduction of CO 2 is an appealing method for converting renewable energy sources into value-added chemical feedstocks. We report a co-electrocatalytic system for the reduction of CO 2 to CO comprised of a molecular Cr complex and dibenzothiophene-5,5-dioxide (DBTD) as a redox mediator, which achieves high activity (TOF=1.51–2.84×10 5 s –1 ) and quantitative selectivity. Under aprotic or protic conditions, DBTD produces a co-electrocatalytic response with 1 by coordinating trans to the site of CO 2 binding and mediating electron transfer from the electrode with quantitative efficiency for CO. Furthermore, this assembly is reliant on through-space electronic conjugation between the π frameworks of DBTD and the bpy fragment of the catalyst ligand, with contributions from dispersive interactions and weak sulfone coordination.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
A nonrecursive 'Order N' preconditioned conjugate gradient/range space formulation of MDOF dynamics
This paper addresses the requirements of present-day mechanical system simulations of algorithms that induce parallelism on a fine scale and of transient simulation methods which must be automatically load balancing for a wide collection of system topologies and hardware configurations. To this end, a combination range space/preconditioned conjugage gradient formulation of multidegree-of-freedon dynamics is developed, which, by employing regular ordering of the system connectivity graph, makes it possible to derive an extremely efficient preconditioner from the range space metric (as opposed to the system coefficient matrix). Because of the effectiveness of the preconditioner, the method can achieve performance rates that depend linearly on the number of substructures. The method, termed 'Order N' does not require the assembly of system mass or stiffness matrices, and is therefore amenable to implementation on work stations. Using this method, a 13-substructure model of the Space Station was constructed.
Kurdila, A. J.↗
Transannularly conjugated tetrameric perylene diimide acceptors containing [2.2]paracyclophane for non-fullerene organic solar cells
Two isomeric perylene diimide acceptors with through-space conjugated [2.2]paracyclophane as a central core show dramatic differences in device performances.
Yu, Han↗
A photogrammetric solution to a particular problem
A closed-form mathematical solution to the classical photogrammetric problem is presented. Although quite general, the solution is more applicable to problems in which the image-space conjugates are very difficult to match but one of the elements of the pair is not. Additionally, observations are made that should make the solution to the general problem of automatic matching less computationally intensive. This approach was used to analyze flow visualization data for the F-18 High Alpha Research Vehicle. The conditions for this analysis were less than ideal for image-to-object-space transformation.
Hedgley, David R., Jr.↗
A nonrecursive order N preconditioned conjugate gradient: Range space formulation of MDOF dynamics
While excellent progress has been made in deriving algorithms that are efficient for certain combinations of system topologies and concurrent multiprocessing hardware, several issues must be resolved to incorporate transient simulation in the control design process for large space structures. Specifically, strategies must be developed that are applicable to systems with numerous degrees of freedom. In addition, the algorithms must have a growth potential in that they must also be amenable to implementation on forthcoming parallel system architectures. For mechanical system simulation, this fact implies that algorithms are required that induce parallelism on a fine scale, suitable for the emerging class of highly parallel processors; and transient simulation methods must be automatically load balancing for a wider collection of system topologies and hardware configurations. These problems are addressed by employing a combination range space/preconditioned conjugate gradient formulation of multi-degree-of-freedom dynamics. The method described has several advantages. In a sequential computing environment, the method has the features that: by employing regular ordering of the system connectivity graph, an extremely efficient preconditioner can be derived from the 'range space metric', as opposed to the system coefficient matrix; because of the effectiveness of the preconditioner, preliminary studies indicate that the method can achieve performance rates that depend linearly upon the number of substructures, hence the title 'Order N'; and the method is non-assembling. Furthermore, the approach is promising as a potential parallel processing algorithm in that the method exhibits a fine parallel granularity suitable for a wide collection of combinations of physical system topologies/computer architectures; and the method is easily load balanced among processors, and does not rely upon system topology to induce parallelism.
Kurdila, Andrew J.↗
Collaborative Research Activities of the Arase and Van Allen Probes
This paper presents the highlights of joint observations of the inner magnetosphere by the Arase spacecraft, the Van Allen Probes spacecraft, and ground-based experiments integrated into spacecraft programs. The concurrent operation of the two missions in 2017–2019 facilitated the separation of the spatial and temporal structures of dynamic phenomena occurring in the inner magnetosphere. Because the orbital inclination angle of Arase is larger than that of Van Allen Probes, Arase collected observations at higher L-shells up to L ~ 10. After March 2017, similar variations in plasma and waves were detected by Van Allen Probes and Arase. We describe plasma wave observations at longitudinally separated locations in space and geomagnetically-conjugate locations in space and on the ground. The results of instrument intercalibrations between the two missions are also presented. Arase continued its normal operation after the scientific operation of Van Allen Probes completed in October 2019. The combined Van Allen Probes (2012-2019) and Arase (2017-present) observations will cover a full solar cycle. This will be the first comprehensive long-term observation of the inner magnetosphere and radiation belts.
97 MATHEMATICS AND COMPUTING↗
Advanced fuel fusion, phase space engineering, and structure-preserving geometric algorithms
Non-thermal advanced fuel fusion trades the requirement of a large amount of recirculating tritium in the system for that of large recirculating power. Phase space engineering technologies utilizing externally injected electromagnetic fields can be applied to meet the challenge of maintaining non-thermal particle distributions at a reasonable cost. The physical processes of the phase space engineering are studied from a theoretical and algorithmic perspective. It is emphasized that the operational space of phase space engineering is limited by the underpinning symplectic dynamics of charged particles. The phase space incompressibility according to the Liouville theorem is just one of many constraints, and Gromov's non-squeezing theorem determines the minimum footprint of the charged particles on every conjugate phase space plane. In this sense and level of sophistication, the mathematical abstraction of phase space engineering is symplectic topology. To simulate the processes of phase space engineering, such as the Maxwell demon and electromagnetic energy extraction, and to accurately calculate the minimum footprints of charged particles, recently developed structure-preserving geometric algorithms can be used. The family of algorithms conserves exactly, on discretized spacetime, symplecticity and thus incompressibility, non-squeezability, and symplectic capacities. The algorithms apply to the dynamics of charged particles under the influence of external electromagnetic fields as well as the charged particle–electromagnetic field system governed by the Vlasov–Maxwell equations.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
General approaches for shear-correcting coordinate transformations in Bragg coherent diffraction imaging. Part I
This two-part article series provides a generalized description of the scattering geometry of Bragg coherent diffraction imaging (BCDI) experiments, the shear distortion effects inherent in the 3D image obtained from presently used methods and strategies to mitigate this distortion. Part I starts from fundamental considerations to present the general real-space coordinate transformation required to correct this shear, in a compact operator formulation that easily lends itself to implementation with available software packages. Such a transformation, applied as a final post-processing step following phase retrieval, is crucial for arriving at an undistorted, correctly oriented and physically meaningful image of the 3D crystalline scatterer. As the relevance of BCDI grows in the field of materials characterization, the available sparse literature that addresses the geometric theory of BCDI and the subsequent analysis methods are generalized here. This geometrical aspect, specific to coherent Bragg diffraction and absent in 2D transmission CDI experiments, gains particular importance when it comes to spatially resolved characterization of 3D crystalline materials in a reliable nondestructive manner. This series of articles describes this theory, from the diffraction in Bragg geometry to the corrections needed to obtain a properly rendered digital image of the 3D scatterer. Part I of this series provides the experimental BCDI community with the general form of the 3D real-space distortions in the phase-retrieved object, along with the necessary post-retrieval correction method. Part II builds upon the geometric theory developed in Part I with the formalism to correct the shear distortions directly on an orthogonal grid within the phase-retrieval algorithm itself, allowing more physically realistic constraints to be applied. Taken together, Parts I and II provide the X-ray science community with a set of generalized BCDI shear-correction techniques crucial to the final rendering of a 3D crystalline scatterer and for the development of new BCDI methods and experiments.
36 MATERIALS SCIENCE↗
Conjugate (solid/fluid) computational fluid dynamics analysis of the space shuttle solid rocket motor nozzle/case and case field joints
Three-dimensional, conjugate (solid/fluid) heat transfer analyses of new designs of the Solid Rocket Motor (SRM) nozzle/case and case field joints are described. The main focus was to predict the consequences of multiple rips (or debonds) in the ambient cure adhesive packed between the nozzle/case joint surfaces and the bond line between the mating field joint surfaces. The models calculate the transient temperature responses of the various materials neighboring postulated flow/leakpaths into, past, and out from the nozzle/case primary O-ring cavity and case field capture O-ring cavity. These results were used to assess if the design was failsafe (i.e., no potential O-ring erosion) and reusable (i.e., no excessive steel temperatures). The models are adaptions and extensions of the general purpose PHOENICS fluid dynamics code. A non-orthogonal coordinate system was employed and 11,592 control cells for the nozzle/case and 20,088 for the case field joints are used with non-uniform distribution. Physical properties of both fluid and solids are temperature dependent. A number of parametric studies were run for both joints with results showing temperature limits for reuse for the steel case on the nozzle joint being exceeded while the steel case temperatures for the field joint were not. O-ring temperatures for the nozzle joint predicted erosion while for the field joint they did not.
Doran, D.↗
A numerically exact full wave packet approach to molecule-surface scattering
A numerically exact spectral method for solving the time-dependent Schroedinger equation in spherical coordinates is described. The angular dependence of the wave function is represented on a two-dimensional grid of evenly spaced points. The fast Fourier transform algorithm is used to transform between the angle space representation of the wave function and its conjugate representation in momentum space. The time propagation of the wave function is evaluated using an expansion of the time evolution operator as a series of Chebyshev polynomials. Calculations performed for a model system representing H2 scattering from a rectangular corrugated surface yield transition probabilities that are in excellent agreement with those obtained using the close-coupling wave packet (CCWP) method. However, the new method is found to require substantially more computation time than the CCWP method because of the large number of grid points needed to represent the angular dependence of the wave function and the variation in the number of terms required in the Chebyshev representation of the time evolution operator.
Mowrey, R. C.↗
End-effector - joint conjugates for robotic assembly of large truss structures in space: A second generation
Current designs, a first generation intended for robotic assembly, have given priority to the ease and certainty of the assembly process under less than ideal conditions with a minimum of sensory feedback. As a consequence they are either heavy or expensive and all exhibit a relatively low packaging density. Low packaging density is caused by extensive scars applied to the node, increasing its envelope diameter by as much as 150 percent. Strut envelopes are violated to a lessor extent with diameters increased by 25 percent or more. This smaller percentage is still a significant problem owing to a much higher fraction of the packaged volume represented by struts. As structures in space become larger, packaging density becomes an important consideration. The objective is to develop end-effector-joint conjugates that do not violate the envelopes of a 2.5 inch diameter node or a 1.0 inch diameter strut.
Brewer, W. V.↗
End-effector-joint conjugates for robotic assembly of large truss structures in space: A second generation
Attachment of strut to node can be accomplished with a variety of mechanisms. All require extensive standoff elements (called scars) added to the nodes. These increase packaging volume for the nodes by as much as 300 percent. First generation designs also tend to be either heavy or expensive due to complex parts. Screws thread mechanisms are discussed simplest and most easily manufactured of alternatives. Torque and rotational motion must be transmitted across the strut to end-effector interface accomplishing the joining process and establishing a specific preload. Four drive mechanisms are considered: worm, helical, bevel, and differential gears.
Brewer, William V.↗
End-effector: Joint conjugates for robotic assembly of large truss structures in space: Extended concepts
Results from NASA/HBCU Grant No. NAG-1-1125 are summarized. Designs developed for model fabrication, exploratory concepts drafted, interface of computer with robot and end-effector, and capability enhancement are discussed.
Brewer, W. V.↗
Conjugated Zwitterionic Oligomers as Ligands on Perovskite Nanocrystals: Hybrid Structures with Tunable Interparticle Spacing
Conventional ligands for CsPbBr 3 perovskite nanocrystals (NCs), composed of polar, coordinating head groups (e.g., ammonium or zwitterionic) and aliphatic tails, are instrumental in stabilizing the NCs against sintering and aggregation. Nonetheless, the aliphatic (insulating) nature of these ligands represents drawbacks with respect to objectives in optoelectronics, and yet removing these ligands typically leads to a loss of colloidal stability. Here, in this paper, we describe the preparation of CsPbBr 3 NCs in the presence of discrete conjugated oligomers that were prepared by an iterative synthetic approach and capped at their chain ends with sulfobetaine zwitterions for perovskite coordination. Notably, these zwitterionic oligofluorenes are compatible with the hot injection and ligand exchange conditions used to prepare CsPbBr 3 NCs, yielding stable NC dispersions with high photoluminescence quantum yields (PLQY, >90%) and spectral features representative of both the perovskite core and conjugated ligand shell. Controlling the chain length of these capping ligands effectively regulated inter-NC spacing and packing geometry when cast into solid films, with evidence derived from both transmission electron microscopy (TEM) and grazing incidence X-ray scattering measurements.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Dynamical edge modes and entanglement in Maxwell theory
Abstract Previous work on black hole partition functions and entanglement entropy suggests the existence of “edge” degrees of freedom living on the (stretched) horizon. We identify a local and “shrinkable” boundary condition on the stretched horizon that gives rise to such degrees of freedom. They can be interpreted as the Goldstone bosons of gauge transformations supported on the boundary, with the electric field component normal to the boundary as their symplectic conjugate. Applying the covariant phase space formalism for manifolds with boundary, we show that both the symplectic form and Hamiltonian exhibit a bulk-edge split. We then show that the thermal edge partition function is that of a codimension-two ghost compact scalar living on the horizon. In the context of a de Sitter static patch, this agrees with the edge partition functions found by Anninos et al. in arbitrary dimensions. It also yields a 4D entanglement entropy consistent with the conformal anomaly. Generalizing to Proca theory, we find that the prescription of Donnelly and Wall reproduces existing results for its edge partition function, while its classical phase space does not exhibit a bulk-edge split.
Physics↗