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NASA NTRS1984

The Solid Model Geometry Generator (SMGG)

The Solid Model Geometry Generator (SMGG) system provides the capacity to model complex solid objects through the composition of primitive parts. The parts are specified through input of dimension and orientation parameters. The parts may later be edited, the model may be displayed (through a variety of display options), and the resulting geometry formatted for subsequent analysis. The SMGG system was originally constructed for use in the preliminary stages of space station and other spacecraft design. Because the system models a design through the use of basic shapes common to many solid objects and provides limited capabilities for producing irregularly shaped parts, it can be used for a variety of applications. Currently, seven primitive parts may be specified and produced through SMGG. These include boxes, spheres, cones, paraboloids, tori, and translationally or rotationally swept parts. Each part may be specified by the user through input of basic part dimensions and a local orientation. For example, a box is specified by its length, width, height and orientation in space (rotation, translation, and scaling).

Jones, K. H.↗
NASA NTRS2018

Elliptic-Cylindrical Analytical Flux Rope Model for Magnetic Clouds

In this paper, we present the elliptic-cylindrical analytical flux rope model, which constitutes the first level of complexity above that of a circular-cylindrical geometry. The framework of this series of models was established by Nieves-Chinchilla et al. with the circular-cylindrical analytical flux rope model. The model describes the magnetic flux rope topology with distorted cross section as a possible consequence of the flux rope interaction with the solar wind. In this model, for the first time, a flux rope is completely described by a nonorthogonal geometry. The Maxwell equations can be consistently solved using tensorial analysis, and relevant physical quantities can be derived, such as magnetic fluxes, number of turns, or Lorentz force distribution. The model is generalized in termsof the radial dependence of the poloidal and axial current density components. The circular-cylindrical reconstruction technique has been adapted to the new geometry for a specific case of the model and tested againstan interplanetary coronal mass ejection observed by the Wind spacecraft on 2005 June 12. In this specific case,from the comparative analysis between the circular-cylindrical and elliptic-cylindrical models, the inclusion ofthe cross-section distortion in the 3D reconstruction results in significant changes in the derived axis orientation,size, central magnetic field, magnetic fluxes, and force-freeness. The case studied in this paper exemplifies the useof the model and reconstruction technique developed. Furthermore, the novel mathematical formulation to modelflux ropes in heliophysics paves the way to the inclusion of more complex magnetic field configurations.

CMEs↗
DOE OSTI2021

An Integrated View of Hydraulic Induced Fracture Geometry in Hydraulic Fracture Test Site 2

Until relatively recently, most of our understanding about the geometry of hydraulically induced fractures in unconventional reservoirs has been inferred by patterns observed via microseismic monitoring. Important information, such as fracture-azimuth, fracture-length, height-growth and other geometric data has been determined from microseismic “event clouds”, which in turn has been used to interpret a stimulated reservoir volume (SRV). It is important to note that relatively limited microseismic results have been acquired in conjunction with other diagnostics and validated in a consistent manner. The Hydraulic Fracture Test Site 2 (HFTS2) in the Permian Delaware Basin provides a unique opportunity to compare the frac geometry interpretations derived from multiple frac diagnostic tools and at multiple scales. The integrated view that emerges from all the frac diagnostic tools is that in HFTS2 the geometries of hydraulically induced fractures are not random and with a highly complex branching architecture. In fact, the fracs are mostly vertical, parallel plana domains, and both vertically and horizontally asymmetrical. The hydraulically induced fractures have a very consistent azimuth with a strike that matches SHmax. At the distance corresponding to the spacing between nearby wells in HFTS2, ~ 660 ft, the pattern of strain interceptions observed from Low Frequency Distributed Acoustic Sensing (LF-DAS) shows far-field dimensions that are consistent with the stage length dimensions at the stimulated well. In general, larger stages with higher number of clusters create larger number of interceptions and wider stimulated intervals than that of shorter stages with the same cluster to cluster spacing and fewer clusters. The hydraulically induced fractures also show a clear tendency to preferentially grow upwards as shown by the microseismic data, by the relative lower number of LF-DAS interceptions in nearby deeper wells and finally by the observed LF-DAS strain patterns in the vertical observation well. In the near field, the geometries of the fracture domains are also consistent. As shown by the distributed strain measurements obtained during production via the monitoring of Rayleigh Frequency Shift (RFS), each cluster has a separate, non-overlapping, frac-zone-domain that are generally centered around the locations of each perforation cluster. Overall, the hydraulically induced fractures in HFTS2 are interpreted as occurring in swarms associated with individual clusters, each with its own unique geometry but with similar predictable geometric and propagation tendencies. The comprehensive frac diagnostic program in HFTS2, the well-pad layout that permits the investigation of the Downloaded from http://onepetro.org/URTECONF/proceedings-pdf/21URTC/1-21URTC/D011S018R003/2477511/urtec-2021-5396-ms.pdf/1 by Carol Worster on 28 February 2022 URTeC 5396 2 impact that nearby producing wells has on frac geometry, together with an innovative Design of Experiment (DofE) that includes sequential-fracing, consistent cluster-to-cluster distances and few single-perforation cluster stages, has allowed us to gain a unique perspective about the geometry of the induced hydraulic fractures on this pad. Finally, the HFTS2 dataset has also provided us with a better understanding of the applicability and limitations of the different diagnostic tools.

58 GEOSCIENCES↗
NASA NTRSDate not supplied

Confidence-Based Buffer for Strategic Deconfliction with Probabilistic Operational Intent

This paper presents a methodology to expand the 95% confidence level of the elliptical geometry given by Unmanned Aircraft System (UAS) operators planning to fly Beyond Visual Line of Sight (BVLOS) to any confidence level before being fed to the strategic deconfliction (SD) module, effectively increasing the separation buffer between Operational Intents (OIs). To assess the performance of this approach, it is integrated within an adaptation of the Rolling Horizon with K-Position Search volume-based strategic deconfliction approach, previously developed at NASA Ames, preventing the 4D overlapping of OIs shaped by ellipses instead of traditional blocks. Safety and efficiency metrics are evaluated through the deconfliction of four simulated package delivery route network structures across the San Francisco Metropolitan Area with increasing numbers of crossing waypoints (network complexity). Safety assessment entails the in-house creation of a metric to quantify collision occurrences per flight hour based on the frequency at which the probabilistic operational volume segments are sampled, whereas efficiency is measured using ground delay. Results indicate that the largest buffer growth occurs when increasing the confidence level beyond 99.9% and demonstrate the negative impact of network complexity on both metrics, regardless of the OI geometry. Further, the ellipse-based SD adaptation more accurately estimates temporal separation at crossings, allowing deconflicted vehicles to be closer together. It is concluded that the proposed methodology enables the desired confidence level to serve as an effective controller of buffer size.

strategic deconfliction↗
NASA NTRSDate not supplied

Confidence-Based Buffer for Strategic Deconfliction with Probabilistic Operational Intent

This paper presents a methodology to expand the 95% confidence level of the elliptical geometry given by Unmanned Aircraft System (UAS) operators planning to fly Beyond Visual Line of Sight (BVLOS) to any confidence level before being fed to the strategic deconfliction (SD) module, effectively increasing the separation buffer between Operational Intents (OIs). To assess the performance of this approach, it is integrated within an adaptation of the Rolling Horizon with K-Position Search volume-based strategic deconfliction approach, previously developed at NASA Ames, preventing the 4D overlapping of OIs shaped by ellipses instead of traditional blocks. Safety and efficiency metrics are evaluated through the deconfliction of four simulated package delivery route network structures across the San Francisco Metropolitan Area with increasing numbers of crossing waypoints (network complexity). Safety assessment entails the in-house creation of a metric to quantify collision occurrences per flight hour based on the frequency at which the probabilistic operational volume segments are sampled, whereas efficiency is measured using ground delay. Results indicate that the largest buffer growth occurs when increasing the confidence level beyond 99.9% and demonstrate the negative impact of network complexity on both metrics, regardless of the OI geometry. Further, the ellipse-based SD adaptation more accurately estimates temporal separation at crossings, allowing deconflicted vehicles to be closer together. It is concluded that the proposed methodology enables the desired confidence level to serve as an effective controller of buffer size.

safety↗
NASA NTRS1993

Buckling analysis of curved composite sandwich panels subjected to inplane loadings

Composite sandwich structures are being considered for primary structure in aircraft such as subsonic and high speed civil transports. The response of sandwich structures must be understood and predictable to use such structures effectively. Buckling is one of the most important response mechanisms of sandwich structures. A simple buckling analysis is derived for sandwich structures. This analysis is limited to flat, rectangular sandwich panels loaded by uniaxial compression (N(sub x)) and having simply supported edges. In most aerospace applications, however, the structure's geometry, boundary conditions, and loading are usually very complex. Thus, a general capability for analyzing the buckling behavior of sandwich structures is needed. The present paper describes and evaluates an improved buckling analysis for cylindrically curved composite sandwich panels. This analysis includes orthotropic facesheets and first-order transverse shearing effects. Both simple support and clamped boundary conditions are also included in the analysis. The panels can be subjected to linearly varying normal loads N(sub x) and N(sub y) in addition to a constant shear load N(sub xy). The analysis is based on the modified Donnell's equations for shallow shells. The governing equations are solved by direct application of Galerkin's method. The accuracy of the present analysis is verified by comparing results with those obtained from finite element analysis for a variety of geometries, loads, and boundary conditions. The limitations of the present analysis are investigated, in particular those related to the shallow shell assumptions in the governing equations. Finally, the computational efficiency of the present analysis is considered.

Cruz, Juan R.↗
NASA NTRS1993

The Effects of Gravity on Wrinkled Laminar Flames

The effects of gravity are significant to the dynamics of idealized unconfined open premixed flames. Moderate to low turbulence Reynolds number flames, i.e., wrinkled laminar flames, of various unconfined geometries have been used extensively for investigating fundamental processes of turbulent flame propagation and to validate theoretical models. Without the wall constraints, the flames are free to expand and interact with surrounding ambient air. The flow field in which the flame exists is determined by a coupling of burner geometry, flame orientation and the gravity field. These complex interactions raise serious questions regarding the validity of comparing the experimental data of open flames with current theoretical and numerical models that do not include the effects of gravity nor effects of the larger aerodynamic flowfield. Therefore, studies of wrinkled laminar flame in microgravity are needed for a better understanding of the role of gravity on flame characteristics such as the orientation, mean aerodynamics stretch, flame wrinkle size and burning rate. Our approach to characterize and quantify turbulent flame structures under microgravity is to exploit qualitative and quantitative flow visualization techniques coupled with video recording and computer controlled image analysis technologies. The experiments will be carried out in the 2.2 second drop tower at the NASA Lewis Research Center. The longest time scales of typical wrinkled laminar flames in the geometries considered here are in the order of 10 msec. Hence, the duration of the drop is sufficient to obtain the amount of statistical data necessary for characterize turbulent flame structures.

Kostiuk, Larry W.↗
DOE OSTI2023

Molecular weaving of chicken-wire covalent organic frameworks

Molecular weaving is the interlacing of covalently linked threads to make extended structures. Although weaving based on 3D networks has been reported, the 2D forms remain largely unexplored. Reticular chemistry uses mutually embracing tetrahedral metal complexes as crossing points, which, when linked, typically lead to 3D woven structures. Realizing 2D weaving patterns requires crossing points with an overall planar geometry. We show that polynuclear helicates composed of multiple metal-complex units, and therefore multiple turns, are well suited in this regard. By reticulating helicate units, we successfully obtained 2D weaving structures based on the familiar chicken-wire pattern.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

CaMn 3 IV O 4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S <9/2 and the Effect of Oxo Protonation

Abstract We report the single crystal XRD and MicroED structure, magnetic susceptibility, and EPR data of a series of CaMn 3 IV O 4 and YMn 3 IV O 4 complexes as structural and spectroscopic models of the cuboidal subunit of the oxygen‐evolving complex (OEC). The effect of changes in heterometal identity, cluster geometry, and bridging oxo protonation on the spin‐state structure was investigated. In contrast to previous computational models, we show that the spin ground state of CaMn 3 IV O 4 complexes and variants with protonated oxo moieties need not be S =9/2. Desymmetrization of the pseudo ‐ C 3 ‐symmetric Ca(Y)Mn 3 IV O 4 core leads to a lower S =5/2 spin ground state. The magnitude of the magnetic exchange coupling is attenuated upon oxo protonation, and an S =3/2 spin ground state is observed in CaMn 3 IV O 3 (OH). Our studies complement the observation that the interconversion between the low‐spin and high‐spin forms of the S 2 state is pH‐dependent, suggesting that the (de)protonation of bridging or terminal oxygen atoms in the OEC may be connected to spin‐state changes.

Lee, Heui Beom↗
DOE OSTI2021

CaMn 3 IV O 4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S <9/2 and the Effect of Oxo Protonation

Abstract We report the single crystal XRD and MicroED structure, magnetic susceptibility, and EPR data of a series of CaMn 3 IV O 4 and YMn 3 IV O 4 complexes as structural and spectroscopic models of the cuboidal subunit of the oxygen‐evolving complex (OEC). The effect of changes in heterometal identity, cluster geometry, and bridging oxo protonation on the spin‐state structure was investigated. In contrast to previous computational models, we show that the spin ground state of CaMn 3 IV O 4 complexes and variants with protonated oxo moieties need not be S =9/2. Desymmetrization of the pseudo ‐ C 3 ‐symmetric Ca(Y)Mn 3 IV O 4 core leads to a lower S =5/2 spin ground state. The magnitude of the magnetic exchange coupling is attenuated upon oxo protonation, and an S =3/2 spin ground state is observed in CaMn 3 IV O 3 (OH). Our studies complement the observation that the interconversion between the low‐spin and high‐spin forms of the S 2 state is pH‐dependent, suggesting that the (de)protonation of bridging or terminal oxygen atoms in the OEC may be connected to spin‐state changes.

Lee, Heui Beom↗
NASA NTRS1993

A musculoskeletal model of the elbow joint complex

This paper describes a musculoskeletal model that represents human elbow flexion-extension and forearm pronation-supination. Musculotendon parameters and the skeletal geometry were determined for the musculoskeletal model in the analysis of ballistic elbow joint complex movements. The key objective was to develop a computational model, guided by optimal control, to investigate the relationship among patterns of muscle excitation, individual muscle forces, and movement kinematics. The model was verified using experimental kinematic, torque, and electromyographic data from volunteer subjects performing both isometric and ballistic elbow joint complex movements. In general, the model predicted kinematic and muscle excitation patterns similar to what was experimentally measured.

Gonzalez, Roger V.↗
DOE OSTI2023

Chiral Spectroscopy of Nanostructures

Chirality is ubiquitous in the universe and in living creatures over detectable length scales from the subatomic to the galactic, as exemplified in the two extremes by subatomic particles (neutrinos) and spiral galaxies. Between them are living creatures that display multiple levels of chirality emerging from hierarchically assembled asymmetric building blocks. Not too far from the bottom of this pyramid are the foundational building blocks with chiral atomic centers on sp 3 carbon atoms exemplified by L-amino acids and D-sugars that are self-assembled into higher-order structures with increasing dimensions forming highly complex, amazingly functional, and energy-efficient living systems. The organization and materials employed in their construction inspired scientists to replicate complex living systems via the self-assembly of chiral components. Multiple studies pointed to unexpected and unique electromagnetic properties of chiral structures with nanoscale and microscale dimensions, including giant circular dichroism and collective circularly polarized scattering that their constituent units did not possess. To address the wide variety of chiral geometries observed in continuous materials, singular particles, and their complex systems, multiple analytic techniques are needed. Simultaneously, their spectroscopic properties create a pathway to multiple applications. For example, mirror-asymmetric vibrations at chiral centers formed by sp 3 carbon atoms lead to optical activity for the infrared (IR) wavelength regions. At the same time, understanding the optical activity in, for example, the IR region enables biomedical applications because multiple modalities of biomedical imaging and vibrational optical activity (VOA) of biomolecules are known for IR range. In turn, VOA can be realized in both absorption and emission modalities due to large magnetic transition moments, as vibrational circular dichroism (VCD) or Raman optical activity (ROA) spectroscopy. In addition to the VOA, in the range of longer wavelengths, lattice vibrational mode or phononic behavior occurs in chiral crystals and nanoassemblies, which can be readily detected by terahertz circular dichroism (TCD) spectroscopy. Meanwhile, chiral self-assembly can induce circularly polarized light emission (CPLE) regardless of the existence of chirality in coassembled fluorophores. The CPLE from self-assembled chiral materials is particularly interesting because the CPLE can originate from both circularly polarized luminescence and circularly polarized scattering (CPS). Furthermore, because self-assembled nanostructures often exhibit stronger optical activity than their building blocks owing to dimension and resonance effects, the optical activity of single assembled nanostructures can be investigated by using microscopic technology combined with chiral optics. Here, we describe the state of the art for spectroscopic methods for the comprehensive analysis of chiral nanomaterials at various photon wavelengths, addressed with special attention given to new tools emerging both for materials with self-organized hierarchical chirality and single-particle spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Reconfiguration of Amorphous Complex Oxides: A Route to a Broad Range of Assembly Phenomena, Hybrid Materials, and Novel Functionalities

This work demonstrate that reconfiguration of amorphous oxide layers drives the assembly of oxide-based and freestanding nanomembranes into 3D structures with a radius of a few hundred nanometers. Reconfiguration-driven assembly is a versatile approach to impart large strains and strain gradients in a broad palette of complex oxides. This capability allows for manipulating and enhancing ferroelectricity, flexoelectricity, piezoelectricity, superconductivity, and ferromagnetism in complex oxides. Moreover, by the approach presented in this work, strain-engineered oxides are obtained in the form of 3D structures that can be fabricated in parallel on any substrate, including large-area and single crystalline semiconductor substrates. This approach will create a vast expanse of possibilities to investigate and leverage strain-tunable effects in amorphous, poly-crystalline, and single-crystalline complex oxides. Reconfiguration-driven assembly of NMs also allows combining different materials in a radial geometry and through scalable processes. For example, radial superlattices of Si (or GaAs) and various complex oxides or alternating layers of different complex oxides (e.g., SrTiO 3 and LaAlO 3 ) could be fabricated by release and heating of bilayer NMs. Here, a broad palette of electronic band structures and spin–orbit interactions could then be obtained by tailoring the curvature of the self-assembled NMs and the materials that the heterostructure comprises.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Trinuclear gold chains and octanuclear copper gyrobifastigia stabilized using a fluorinated pyridyl ligand

The fluorinated pyridyl ligand [6-(CF 3 )-2-Py] − with gold( I ) affords trinuclear Au 3 assemblies that further organize into a supramolecular helical column through aurophilic interactions. Its chemistry with copper( I ) is even more remarkable, leading to an unprecedented octanuclear copper–pyridyl cluster complex featuring a central Cu 8 core with an approximate gyrobifastigium geometry. Solid powders of compounds {(6-(CF 3 )-2-Py)Au} 3 and {(6-(CF 3 )-2-Py)Cu} 8 exhibit intense photoluminescence at room temperature, displaying green and yellow colors to the naked eye, respectively. Here, the octanuclear copper complex is also an effective catalyst for azide–alkyne cycloaddition, producing triazoles. Detailed computational analyses confirm the preference for experimental geometries and provide insights into the observed luminescence.

Phan, Vo Quang Huy [University of Texas at Arlingt↗
NASA NTRS2011

J-2X Fuel Pump Impeller Seal Simulations

The J-2X engine was originally designed for the upper stage of the previously cancelled Crew Launch Vehicle. Although the Crew Launch Vehicle was cancelled the J-2X engine, which is currently undergoing hot-fire testing, may be used on future programs. The J-2X engine is a direct descendent of the J-2 engine which powered the upper stage during the Apollo program. Many changes including a thrust increase from 230K to 294K lbf have been implemented in this engine. The rotor-dynamic stability of the fuel turbopump is highly dependent on the tangential velocity of the fluid as it enters the the front face impeller seal. Rotor-dynamic analysis predicts that a much lower tangential velocity will be required for stability than was needed for previous engines. The geometry at the seal entrance for this engine is very complex and vastly different than previous engines. In order to better determine the fluid dynamics and tangential velocity in this seal several CFD simulations were performed. The results of these simulations show that for this seal geometry a great reduction in the tangential velocity is to be expected. The simulations also provided insight into methods that could be employed to drive the swirl velocity to near zero. Unsteady and time-averaged results of several simulations will be presented.

Schmauch, Preston B.↗
DOE OSTI2022

Negative complexity of formation: the compact dimensions strike back

We show that the vacuum-subtracted maximal volume, the proposed holographic dual to complexity of formation, can be negative when contributions from compact directions are included. We construct explicit solutions with arbitrarily negative complexity of formation in asymptotically AdS 4 × S 7 SUGRA. These examples rely critically on the compact directions, specifically the fact that the full eleven-dimensional spacetime is not asymptotically AdS 11 . While there is some ambiguity in the extension of the holographic complexity proposal to the compact directions, we show that the two natural candidates can both have arbitrarily negative complexity of formation in SUGRA solutions. We further find examples in which complexity can even decrease at late times, including cases of both single-sided geometries and two-sided wormholes. In particular, we construct a cosmological wormhole with simultaneously negative and decreasing complexity of formation (as computed by volume) at late times. We find a distinguished role for relevant primaries in these constructions and comment on possible interpretations.

2D Gravity↗
DOE OSTI2021

Synthesis, Electronic Structure, and Reactivity of a Planar Four‐Coordinate, Cobalt–Imido Complex

Abstract A four‐coordinate cobalt–imido complex, ( t Bu mPNP)Co=NMes ( t Bu mPNP=modified PNP pincer ligand) has been synthesized from addition of 2,4,6‐trimethylphenylazide (Mes–N 3 ) to the corresponding dinitrogen complex. The solid‐state structure determined by X‐ray diffraction established a rare, idealized planar geometry with a Co=N bond distance of 1.716(2) Å. Magnetic measurements revealed an S =1 ground state with CAS‐SCF calculations supporting radical character on the imide nitrogen. Thermolysis of the cobalt–imido compound induced selective insertion of the imido group into a Co−P bond and yielded a three‐coordinate cobalt complex with a distorted T‐shaped geometry. Transition state analysis conducted with DFT calculations established the thermodynamic stability of the P–N coupled product and provided insight into the exclusive selectivity.

Park, Yoonsu↗