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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.

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2021

Equuleus Launch Window Analysis and Mission Design

This paper presents the trajectory design process for EQUULEUS, a 6U CubeSat developed by JAXA and the University of Tokyo that is scheduled to launch as a piggyback of NASA’s Artemis 1. After separation from the upper stage of the Space Launch System, EQUULEUS will maneuver along a low-energy transfer to an Earth–Moon quasi-rectilinear halo orbit in 1-to-4 resonance with the lunar synodic period. As a secondary payload, the trajectory of EQUULEUS needs to be compatible with the requirements of the primary mission, but also robust against disturbances and potential changes in the deployment state. Realistic initial conditions spanning two years of potential launch windows are processed and the solution structure for optimal lunar transfers is analyzed. A host of candidate solutions is presented, compatibly with the fuel and power limitations of EQUULEUS. The global understanding of the solution space is shown to be insightful for the design of robust trajectories for limited control-authority spacecraft.

Kawakatsu, Yasuhiro↗
DOE OSTI2020

Realistic Ion Dynamics through Charge Renormalization in Nonaqueous Electrolytes

While many practically important electrolytes contain lithium ions, interactions of these ions are particularly difficult to probe experimentally because of their small X-ray and neutron scattering cross sections and large neutron absorption cross sections. Molecular dynamics (MD) is a powerful tool for understanding the properties of nonaqueous electrolyte solutions from the atomic level, but the accuracy of this computational method crucially depends on the physics built into the classical force field. In this study, we demonstrate that several force fields for lithium bistriflimide (LiTFSI) in acetonitrile yield a solution structure that is consistent with the neutron scattering experiments, yet these models produce dramatically different ion dynamics in solution. Such glaring discrepancies indicate that inadequate representation of long-range interactions leads to excessive ionic association and ion-pair clustering. We show that reasonable agreement with the experimental observations can be achieved by renormalization of the ion charges using a “titration” method suggested herewith. This simple modification produces realistic concentration dependencies for ionic diffusion and conductivity in <2 M solutions, without loss in quality for simulation of the structure.

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

Powder Diffraction Crystallography : 98 Years as Plan B?

A historical essay written in 2014 to accompany a talk in the Transactions Symposium "100 Years of Crystallography" at the 2014 American Crystallographic Association Annual Meeting (talk at https://history.amercrystalassn.org/h-brian-toby-videos). Abstract: Powder diffraction patterns were used for structure solution almost contemporaneously with the Bragg’s initial single-crystal determinations. Structures have continued to be determined from powders, in the subsequent century. There has been a nearly explosive growth in this technique since the 1970’s. This was initially driven by neutron diffraction, which prompted the invention of Rietveld analysis, but synchrotrons have gone on to have at least as large an impact. There is no apparent upper limit to the scale of systems that can be structurally studied with powder diffraction; novel protein structures have been determined. When short-range ordering or disordered regions of a material are of interest, the Fourier transform of a powder diffraction pattern, the pair distribution function can be modeled.

Toby, Brian H.↗
NASA NTRS1993

Finite element solution for the structural behavior of a scientific balloon

A finite element solution for the structural behavior of a scientific balloon has been obtained using a non-linear finite element code. The pneumatic skin is modelled by shell elements that are given a small artificial bending stiffness to overcome numerical problems yet the membrane solution remains unaffected. Validation of the analysis approach is provided through strain measurements on a small scale balloon that exhibits all essential features of a full scale balloon.

Schur, W. W.↗
NASA NTRS1983

Orbit structure of Hamiltonian systems arising from Lie transformation group actions

This paper associates the Riccati group and its group action on linear-quadratic optimal control problems to the action of a Lie transformation group on a set of Hamiltonian matrices. In this Lie theoretic setting results are presented concerning the associated orbit structure and the structure of the group itself. These results are of importance in understanding the solution structure of matrix Riccati differential equations, and thus also of importance in linear-quadratic optimal control.

Garzia, M. R.↗
NASA NTRS1993

Theory of Metastable State Relaxation for Non-Critical Binary Systems with Non-Conserved Order Parameter

A new mathematical ansatz for a solution of the time-dependent Ginzburg-Landau non-linear partial differential equation is developed for non-critical systems such as non-critical binary solutions (solute + solvent) described by the non-conserved scalar order parameter. It is demonstrated that in such systems metastability initiates heterogeneous solute redistribution which results in formation of the non-equilibrium singly-periodic spatial solute structure. It is found how the time-dependent period of this structure evolves in time. In addition, the critical radius r(sub c) for solute embryo of the new solute rich phase together with the metastable state lifetime t(sub c) are determined analytically and analyzed.

Izmailov, Alexander↗
NASA NTRS1976

Periodic solutions to systems of reaction-diffusion equations

Necessary and sufficient conditions are derived for the existence of temporally periodic 'dissipative structure' solutions in weak diffusion with the reaction rate terms dominant in a generic system of reaction-diffusion differential equations. The enumerator index i of the equations denotes the density or concentration of the ith participating molecular or biological species, and D sub i is the diffusivity constant for the ith species while Q sub i (c), an algebraic function of the n-tuple c, expresses the local rate of production of the ith species due to chemical reactions or biological interactions.

Rosen, G.↗
DOE OSTI2023

Vibrational Probe at the Electrochemical Interface: Dependence on Plasmon Coupling and Potential of the Lineshape in Two-Dimensional Infrared Spectroscopy

Two-dimensional infrared spectroscopy of vibrational probes at an electrode surface shows promise for studying the structural dynamics at an active electrochemical interface. This interface is a complex environment where the solution structures in response to the applied potential. A strategy for achieving the necessary monolayer sensitivity is to use a plasmonically active electrode, which enhances the electromagnetic fields that produce the spectroscopic response. Here, in this study, we show how the coupling between the plasmon and the vibrations of the molecular monolayer impacts the FTIR and 2D IR spectroscopy, with an emphasis on the electrochemical potential difference spectra. We show how mixing between the vibrational and plasmonic states gives rise to the distortions that are observed in these measurements. This provides an important step toward 2D IR measurements of vibrational probes at the electrochemical interface as a tool for probing the structural dynamics in the double layer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Li 5 VF 4 (SO 4 ) 2 : A Prototype High-Voltage Li-Ion Cathode.

A Li-rich polyanionic compound based on V 3+ with a previously unknown structure, Li 5 VF 4 (SO 4 ) 2 , has been developed as a high-voltage cathode material for Li-ion batteries. The solvothermal preparation of this material, crystal structure solution, and initial electrochemical characterization are presented. An analysis based on density functional theory electronic structure calculations suggests that a high voltage close to 5 V is required to extract two Li ions and to reach the oxidation state of V 5+ . However, the use of conventional carbonate-based electrolytes, which exhibit increasing degradation above a potential of 4.3 V, does not permit the full capacity of this compound to be achieved at this time.

25 ENERGY STORAGE↗
DOE OSTI2022

Integrability technique for fluid flow induced deformation of a boundary hair

The deformation of a dense carpet of hair due to Stokes flow in a channel can be described by a nonlinear integrodifferential equation for the shape of a single hair, which possesses several solutions for a given choice of parameters. Although it was posed in a previous study and it bears a resemblance to the pendulum problem from mechanics, this equation has not been analytically solved until now. Despite the presence on an integral with a nonlinear functional dependence on the dependent variable, the system is integrable. We compare the analytically obtained solution to a finite-difference numerical approach, identify the physically realizable solution branch, and briefly study the solution structure through a conserved energylike quantity. Time-dependent fluid-structure interactions are a rich and complex subject to investigate, and we argue that the solution discussed herein can be used as a basis for understanding these systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2020

Development of a Numeric Predictor-Corrector Aerocapture Guidance for Direct Force Control

Direct force control, where the angle of attack and sideslip angle are modulated, has been proposed as an alternative to bank angle control for aero-assist maneuvers. This paper reimplements the current state-of-the-art aerocapture guidance for bank angle control, Fully Numeric Predictor-corrector Aerocapture Guidance (FNPAG), for direct force control. The optimal control theory underlying the structure of FNPAG is shown to not be applicable to the direct force control approach. Several solution structures for the longitudinal channel are compared by simulating dispersed three-degree-of-freedom trajectories for a reference mission consisting of a low lift-to-drag vehicle and a highly elliptical, 1-sol target orbit around Mars. The equations of motion for the lateral channel are derived, and a controller is designed to target a specified orbital plane. Finally, a Monte Carlo is used to demonstrate the performance of the new guidance.

Matz, Daniel A.↗
NASA NTRS1988

Solution accuracies of finite element reentry heat transfer and thermal stress analyses of Space Shuttle Orbiter

Accuracies of solutions (structural temperatures and thermal stresses) obtained from different thermal and structural FEMs set up for the Space Shuttle Orbiter (SSO) are compared and discussed. For studying the effect of element size on the solution accuracies of heat-transfer and thermal-stress analyses of the SSO, five SPAR thermal models and five NASTRAN structural models were set up for wing midspan bay 3. The structural temperature distribution over the wing skin (lower and upper) surface of one bay was dome shaped and induced more severe thermal stresses in the chordwise direction than in the spanwise direction. The induced thermal stresses were extremely sensitive to slight variation in structural temperature distributions. Both internal convention and internal radiation were found to have equal effects on the SSO.

Ko, William L.↗
DOE OSTI2022

Chemical crystallography by serial femtosecond X-ray diffraction

Abstract Inorganic–organic hybrid materials represent a large share of newly reported structures, owing to their simple synthetic routes and customizable properties 1 . This proliferation has led to a characterization bottleneck: many hybrid materials are obligate microcrystals with low symmetry and severe radiation sensitivity, interfering with the standard techniques of single-crystal X-ray diffraction 2,3 and electron microdiffraction 4–11 . Here we demonstrate small-molecule serial femtosecond X-ray crystallography (smSFX) for the determination of material crystal structures from microcrystals. We subjected microcrystalline suspensions to X-ray free-electron laser radiation 12,13 and obtained thousands of randomly oriented diffraction patterns. We determined unit cells by aggregating spot-finding results into high-resolution powder diffractograms. After indexing the sparse serial patterns by a graph theory approach 14 , the resulting datasets can be solved and refined using standard tools for single-crystal diffraction data 15–17 . We describe the ab initio structure solutions of mithrene (AgSePh) 18–20 , thiorene (AgSPh) and tethrene (AgTePh), of which the latter two were previously unknown structures. In thiorene, we identify a geometric change in the silver–silver bonding network that is linked to its divergent optoelectronic properties 20 . We demonstrate that smSFX can be applied as a general technique for structure determination of beam-sensitive microcrystalline materials at near-ambient temperature and pressure.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Improved interpretation of satellite altimeter data using genetic algorithms

Genetic algorithms (GA) are optimization techniques that are based on the mechanics of evolution and natural selection. They take advantage of the power of cumulative selection, in which successive incremental improvements in a solution structure become the basis for continued development. A GA is an iterative procedure that maintains a 'population' of 'organisms' (candidate solutions). Through successive 'generations' (iterations) the population as a whole improves in simulation of Darwin's 'survival of the fittest'. GA's have been shown to be successful where noise significantly reduces the ability of other search techniques to work effectively. Satellite altimetry provides useful information about oceanographic phenomena. It provides rapid global coverage of the oceans and is not as severely hampered by cloud cover as infrared imagery. Despite these and other benefits, several factors lead to significant difficulty in interpretation. The GA approach to the improved interpretation of satellite data involves the representation of the ocean surface model as a string of parameters or coefficients from the model. The GA searches in parallel, a population of such representations (organisms) to obtain the individual that is best suited to 'survive', that is, the fittest as measured with respect to some 'fitness' function. The fittest organism is the one that best represents the ocean surface model with respect to the altimeter data.

Messa, Kenneth↗
NASA NTRSDate not supplied

Towards an Automated Unstructured Grid Adaptation Workflow with VULCAN

Early work is presented for an unstructured grid adaptation workflow with VULCAN and refine. Anisotropic simplex grids are iteratively adapted to match a Riemannian metric tensor field describing desired mesh spacing. The Riemannian metric tensor field is obtained from Hessians of CFD solution output scalar sensor fields; both Mach number and static temperature sensor fields are explored. In addition, we describe a Newton-method-based solver recently implemented in VULCAN utilizing Jacobian-Free-Newton-Krylov that can be used to increase flow solver automation on early grids in the adadptation process. Hypersonic flow solutions are presented on a high Reynolds number flat plate and wall heat flux is compared against a highly resolved structured solution. Additionally, complex shock boundary-layer interaction is explored in a high Mach number compression corner and complex 3D flow phenomena are evaluated on the Boundary Layer Transition (BOLT) vehicle.

Matthew O'Connell↗
NASA NTRS1983

The mechanics of delamination in fiber-reinforced composite materials. Part 2: Delamination behavior and fracture mechanics parameters

Based on theories of laminate anisotropic elasticity and interlaminar fracture, the complete solution structure associated with a composite delamination is determined. Fracture mechanics parameters characterizing the interlaminar crack behavior are defined from asymptotic stress solutions for delaminations with different crack-tip deformation configurations. A numerical method employing singular finite elements is developed to study delaminations in fiber composites with any arbitrary combinations of lamination, material, geometric, and crack variables. The special finite elements include the exact delamination stress singularity in its formulation. The method is shown to be computationally accurate and efficient, and operationally simple. To illustrate the basic nature of composite delamination, solutions are shown for edge-delaminated (0/-0/-0/0) and (+ or - 0/+ or - 0/90/90 deg) graphite-epoxy systems under uniform axial extenstion. Three-dimensional crack-tip stress intensity factors, associated energy release rates, and delamination crack-closure are determined for each individual case. The basic mechanics and mechanisms of composite delamination are studied, and fundamental characteristics unique to recently proposed tests for interlaminar fracture toughness of fiber composite laminates are examined.

Wang, S. S.↗
NASA NTRS1983

The mechanics of delamination in fiber-reinforced composite materials. II - The delamination behavior and fracture mechanics parameters

Based on theories of laminate anisotropic elasticity and interlaminar fracture, the complete solution structure associated with a composite delamination is determined. Fracture mechanics parameters characterizing the interlaminar crack behavior are defined from asymptotic stress solutions for delaminations with different crack-tip deformation configurations. A numerical method employing singular finite elements is developed to study delaminations in fiber composites with any arbitrary combinations of lamination, material, geometric, and crack variables. The special finite elements include the exact delamination stress singularity in its formulation. The method is shown to be computationally accurate and efficient, and operationally simple. To illustrate the basic nature of composite delamination, solutions are shown for edge-delaminated (0/-0/-0/0) and (+ or - 0/+ or - 0/90/90 deg) graphite-epoxy systems under uniform axial extension. Three-dimensional crack-tip stress intensity factors, associated energy release rates, and delamination crack-closure are determined for each individual case. The basic mechanics and mechanisms of composite delamination are studied, and fundamental characteristics unique to recently proposed tests for interlaminar fracture toughness of fiber composite laminates are examined. Previously announced in STAR as N84-13222

Wang, S. S.↗