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At least 469 records · Page 26

Customizable wave tailoring nonlinear materials enabled by bilevel inverse design

Abstract Passive wave transformation via nonlinearity is ubiquitous in settings from acoustics to optics and electromagnetics. It is well known that different nonlinearities yield different effects on propagating signals, which raises the question of “what precise nonlinearity is the best for a given wave tailoring application?” In this work, considering a one-dimensional spring-mass chain connected by polynomial springs (a variant of the Fermi-Pasta-Ulam-Tsingou system), we introduce a bilevel inverse design method which couples the shape optimization of structures for tailored constitutive responses with reduced-order nonlinear dynamical inverse design. We apply it to two qualitatively distinct problems—minimization of peak transmitted kinetic energy from impact, and pulse shape transformation—demonstrating our method’s breadth of applicability. For the impact problem, we obtain two fundamental insights. First, small differences in nonlinearity can drastically change the dynamic response of the system, from severely under- to outperforming a comparative linear system. Second, the oft-used strategy of impact mitigation via “energy locking” bistability can be significantly outperformed by our optimal nonlinearity. We validate this case with impact experiments and find excellent agreement. This study establishes a framework for broader passive nonlinear mechanical wave tailoring material design, with applications to computing, signal processing, shock mitigation, and autonomous materials.

Science & Technology - Other Topics↗

Electromagnetic waves in an optical photonic lattice

Laser light propagation in a photonic lattice consisting of two parallel waveguide arrays is theoretically studied using the coupled mode method, with the interaction of each waveguide with the nearest neighbours and between the waveguides of the arrays being taken into account. Analytical expressions are obtained that make it possible to accurately predict the presence of localisation of light depending on the coupling constants. Particular solutions of a system of coupled waves are found, which describe strongly localised light propagating without transverse diffraction along the entire lattice at certain values of the coupling constants. The emergence of spatially limited transverse diffraction of light is predicted. (integral optics)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Demonstration of a code coupling framework for modeling beam-collimator impacts in the advanced photon source

The high-brightness beams being produced in current and future accelerators present new machine protection concerns with the potential for high-energy-density (HED) conditions ( >100 J/mm 3 ) in beam-intercepting components. Simulating HED conditions in accelerators requires utilizing a suite of physics codes for particle dynamics, particle-matter interactions, and hydrodynamics. This paper describes a method of coupling the codes elegant, fluka, and flash to simulate the effects of a rapid beam loss in the advanced photon source storage ring and the resulting interaction of the beam and collimators. This paper expands previous work [J. Dooling et al., Collimator irradiation studies at the advanced photon source, in Proceedings of the IBIC-2023 (2023), pp. 245–249] by introducing a definition of the evolving geometry of the collimator surface as well as providing methods for simulating the absorption of synchrotron radiation and tracking shower particles produced during beam strikes. We demonstrate this framework by simulating machine conditions of the APS ring before and after its recent upgrade. Simulation results are compared with observed damage to collimators and test samples taken from the APS ring.

Accelerator/storage ring control systems↗

Gas-Phase Reaction Pathways and Rate Coefficients for the Dichlorosilane-Hydrogen and Trichlorosilane-Hydrogen Systems

As part of NASA Ames Research Center's Integrated Process Team on Device/Process Modeling and Nanotechnology our goal is to create/contribute to a gas-phase chemical database for use in modeling microelectronics devices. In particular, we use ab initio methods to determine chemical reaction pathways and to evaluate reaction rate coefficients. Our initial studies concern reactions involved in the dichlorosilane-hydrogen (SiCl2H2--H2) and trichlorosilane-hydrogen (SiCl2H-H2) systems. Reactant, saddle point (transition state), and product geometries and their vibrational harmonic frequencies are determined using the complete-active-space self-consistent-field (CASSCF) electronic structure method with the correlation consistent polarized valence double-zeta basis set (cc-pVDZ). Reaction pathways are constructed by following the imaginary frequency mode of the saddle point to both the reactant and product. Accurate energetics are determined using the singles and doubles coupled-cluster method that includes a perturbational estimate of the effects of connected triple excitations (CCSD(T)) extrapolated to the complete basis set limit. Using the data from the electronic structure calculations, reaction rate coefficients are obtained using conventional and variational transition state and RRKM theories.

Dateo, Christopher E.↗

Coupling Single-Mode Fiber to Uniform and Symmetrically Tapered Thin-Film Waveguide Structures Using Gadolinium Gallium Garnet

The need for high efficiency components has grown significantly due to the expanding role of fiber optic communications for various applications. Integrated optics is in a state of metamorphosis and there are many problems awaiting solutions. One of the main problems being the lack of a simple and efficient method of coupling single-mode fibers to thin-film devices for integrated optics. In this paper, optical coupling between a single-mode fiber and a uniform and tapered thin-film waveguide is theoretically modeled and analyzed. A novel tapered structure presented in this paper is shown to produce perfect match for power transfer.

Gadi, Jagannath↗

Concerted hydrogen atom exchange between three HF molecules

We have investigated the termolecular reaction involving concerted hydrogen exchange between three HF molecules, with particular emphasis on the effects of correlation at the various stationary points along the reaction. Using an extended basis, we have located the geometries of the stable hydrogen-bonded trimer, which is of C(sub 3h) symmetry, and the transition state for hydrogen exchange, which is of D(sub 3h) symmetry. The energies of the exchange reation were then evaluated at the correlated level, using a large atomic natural orbital basis and correlating all valence electrons. Several correlation treatments were used, namely, configration interaction with single and double excitations, coupled-pair functional, and coupled-cluster methods. We are thus able to measure the effect of accounting for size-extensivity. Zero-point corrections to the correlated level energetics were determined using analytic second derivative techniques at the SCF level. Our best calculations, which include the effects of connected triple excitations in the coupled-cluster procedure, indicate that the trimer is bound by 9 +/- 1 kcal/mol relative to three separate monomers, in excellent agreement with previous estimates. The barrier to concerted hydrogen exchange is 15 kcal/mol above the trimer, or only 4.7 kcal/mol above three separated monomers. Thus the barrier to hydrogen exchange between HF molecules via this termolecular process is very low.

Komornicki, Andrew↗

Pressure-stabilized fixed-stress iterative solutions of compositional poromechanics

We consider the numerical behavior of the fixed-stress splitting method for coupled poromechanics as undrained regimes are approached. We explain that pressure stability is related to the splitting error of the scheme, not the fact that the discrete saddle point matrix never appears in the fixed-stress approach. This observation reconciles previous results regarding the pressure stability of the splitting method. Using examples of compositional poromechanics with application to geological CO sequestration, we see that solutions obtained using the fixed-stress scheme with a low order finite element-finite volume discretization which is not inherently inf-sup stable can exhibit the same pressure oscillations obtained with the corresponding fully implicit scheme. Moreover, pressure jump stabilization can effectively remove these spurious oscillations in the fixed-stress setting, while also improving the efficiency of the scheme in terms of the number of iterations required at every time step to reach convergence.

42 ENGINEERING↗

Implementation of radiation shielding calculation methods. Volume 1: Synopsis of methods and summary of results

The work performed in the following areas is summarized: (1) Analysis of Realistic nuclear-propelled vehicle was analyzed using the Marshall Space Flight Center computer code package. This code package includes one and two dimensional discrete ordinate transport, point kernel, and single scatter techniques, as well as cross section preparation and data processing codes, (2) Techniques were developed to improve the automated data transfer in the coupled computation method of the computer code package and improve the utilization of this code package on the Univac-1108 computer system. (3) The MSFC master data libraries were updated.

Capo, M. A.↗

Autonomous x-ray scattering

Autonomous experimentation (AE) is an emerging paradigm that seeks to automate the entire workflow of an experiment, including—crucially—the decision-making step. Beyond mere automation and efficiency, AE aims to liberate scientists to tackle more challenging and complex problems. We describe our recent progress in the application of this concept at synchrotron x-ray scattering beamlines. We automate the measurement instrument, data analysis, and decision-making, and couple them into an autonomous loop. We exploit Gaussian process modeling to compute a surrogate model and associated uncertainty for the experimental problem, and define an objective function exploiting these. We provide example applications of AE to x-ray scattering, including imaging of samples, exploration of physical spaces through combinatorial methods, and coupling to in situ processing platforms These uses demonstrate how autonomous x-ray scattering can enhance efficiency, and discover new materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Positive- and negative-frequency noise from an ensemble of two-level fluctuators

The analysis of charge noise based on the Bloch-Redfield treatment of an ensemble of dissipative two-level fluctuators generally results in a violation of the fluctuation-dissipation theorem. The standard Markov approximation (when applied to the two-level fluctuators coupled to a bath) can be identified as the main origin of this failure. The resulting decoherence rates only involve the bath response at the fluctuator frequency, and thus completely neglect the effects of frequency broadening. A systematic and computationally convenient way to overcome this issue is to employ the spectator-qubit method: by coupling an auxiliary qubit to the two-level fluctuator ensemble, an analytical approximation for S(ω) fully consistent with the fluctuation-dissipation theorem can be obtained. We discuss the resulting characteristics of the noise which exhibits distinct behavior over several frequency ranges, including a 1/f to 1/f2 crossover with a T3 temperature dependence of the crossover frequency.

2-dimensional systems↗

Coupling laser physics to radiation-hydrodynamics

In order to accurately model implosion hydrodynamics in a radiation-hydrodynamics code, it is essential to include accurate accounting for energy deposition physics. In inertial confinement fusion (ICF), where capsules are driven by lasers or laser-driven x-rays, energy deposition profiles and energy transport have a strong impact on the development and evolution of capsule dynamics and hydrodynamic instabilities. Nevertheless, accurately modeling laser beam propagation in radiation-hydrodynamics codes presents unique challenges associated with disparate resolution requirements, the potential to seed spurious noise in highly unstable systems, and computational expense. We discuss a new method for coupling laser ray-tracing physics to a radiation hydrodynamics code, developed in the process of implementing the Mazinisin laser ray-trace into the xRAGE radiation hydrodynamics code. In contrast to previous approaches, in which laser ray-tracing is performed on the radiation-hydrodynamics mesh, our method involves a mesh generation and evolution strategy that addresses the unique requirements of the laser ray-trace in a separate mesh, enabling performance enhancements and strategies to reduce noise seeded by the discretization of beams into computational rays. In addition, we have employed several methods to ensure that spurious mesh imprinting is minimized. These involved optimizing the laser and radiation-hydrodynamics meshes as well as interpolation between them and requires the use of an exact initialization method for the radiation-hydrodynamics mesh. Furthermore, these techniques have enabled efficient computation of laser-driven implosions and other experiments with minimal introduction of spurious noise.

47 OTHER INSTRUMENTATION↗

Shape optimization of single- and two-element airfoils on multiblock grids

A multiblock, discrete sensitivity analysis method is used to couple a direct optimization method and a flow analysis method. The domain is divided into smaller subdomains for which the sensitivities are obtained separately. Then, an effective sensitivity equation is solved to complete the coupling of all the sensitivity information. The flow analysis is based on the thin-layer Navier-Stokes equations solved by an implicit, upwind-biased, finite-volume method. The method of feasible directions is used for the present gradient-based optimization approach. First, a transonic airfoil is optimized to investigate the behavior of the method in highly nonlinear flows as well as the effect of different blocking strategies on the procedure. A supercritical airfoil is produced from an initially symmetric airfoil with multiblocking affecting the path but not the final shape. Secondly, a two-element airfoil is shape optimized in subsonic flow to demonstrate the present method's capability of shaping aerodynamically interfering elements simultaneously. For a very low and a very high Reynolds number cases, the shape of the main airfoil and the flap are optimized to yield improved lift-to-drag ratios.

Lacasse, James M.↗

Madidrop for Passive Silver Dosing

Madidrop is a rectangular ceramic tablet originally designed to dose a 10-20-liter volume of water with silver to act as a biocide for remote communities with unreliable water sources. Silver as a biocide is a proposed method to control bacteria on the International Space Station or future Artemis missions. This would replace iodine currently used due to issues with a dual biocide system in place between Russian and US segments and the extra cost of iodine removal required before consumption. NASA has been reviewing this Madidrop technology and its potential application with a water reclamation system on orbit to dose silver after purifying the water. While there are a couple alternative methods to dosing silver on station, this method is like the existing passive dosing method used currently to dose iodine. Tests conducted characterize the manufacturer’s original intent to leave the tablet in a tank for a specified amount of time before removing and testing alternative passive flow-through methods. Passive flow testing involved two options: keeping the tablet intact or crushing the tablet into smaller particle sizes to increase the surface area while varying particle sizes. The results of these tests revealed a large amount of silver output at first that quickly reduced to a constant lower output within a reasonable dosing concentration range. The initial high concentration peaks after a couple days of quiescence and could be useful for shocking the initial tank water contents. Madidrop used as a passive particle doser could act as a stand-in replacement for iodine in future spaceflight water reclamation systems.

Ryan Ogilvie↗

Madidrop for Passive Silver Dosing

Madidrop is a rectangular ceramic tablet originally designed to dose a 10-20-liter volume of water with silver to act as a biocide for remote communities with unreliable water sources. Silver as a biocide is a proposed method to control bacteria on the International Space Station or future Artemis missions. This would replace iodine currently used due to issues with a dual biocide system in place between Russian and US segments and the extra cost of iodine removal required before consumption. NASA has been reviewing this Madidrop technology and its potential application with a water reclamation system on orbit to dose silver after purifying the water. While there are a couple alternative methods to dosing silver on station, this method is like the existing passive dosing method used currently to dose iodine. Tests conducted characterize the manufacturer’s original intent to leave the tablet in a tank for a specified amount of time before removing and testing alternative passive flow-through methods. Passive flow testing involved two options: keeping the tablet intact or crushing the tablet into smaller particle sizes to increase the surface area while varying particle sizes. The results of these tests revealed a large amount of silver output at first that quickly reduced to a constant lower output within a reasonable dosing concentration range. The initial high concentration peaks after a couple days of quiescence and could be useful for shocking the initial tank water contents. Madidrop used as a passive particle doser could act as a stand-in replacement for iodine in future spaceflight water reclamation systems.

Ryan Ogilvie↗

Fan Noise Prediction System Development: Source/Radiation Field Coupling and Workstation Conversion for the Acoustic Radiation Code

The Acoustic Radiation Code (ARC) is a finite element program used on the IBM mainframe to predict far-field acoustic radiation from a turbofan engine inlet. In this report, requirements for developers of internal aerodynamic codes regarding use of their program output an input for the ARC are discussed. More specifically, the particular input needed from the Bolt, Beranek and Newman/Pratt and Whitney (turbofan source noise generation) Code (BBN/PWC) is described. In a separate analysis, a method of coupling the source and radiation models, that recognizes waves crossing the interface in both directions, has been derived. A preliminary version of the coupled code has been developed and used for initial evaluation of coupling issues. Results thus far have shown that reflection from the inlet is sufficient to indicate that full coupling of the source and radiation fields is needed for accurate noise predictions ' Also, for this contract, the ARC has been modified for use on the Sun and Silicon Graphics Iris UNIX workstations. Changes and additions involved in this effort are described in an appendix.

Meyer, H. D.↗

A transonic interactive boundary-layer theory for laminar and turbulent flow over swept wings

A 3-D laminar and turbulent boundary-layer method is developed for compressible flow over swept wings. The governing equations and curvature terms are derived in detail for a nonorthogonal, curvilinear coordinate system. Reynolds shear-stress terms are modeled by the Cebeci-Smith eddy-viscosity formulation. The governing equations are descretized using the second-order accurate, predictor-corrector finite-difference technique of Matsuno, which has the advantage that the crossflow difference formulas are formed independent of the sign of the crossflow velocity component. The method is coupled with a full potential wing/body inviscid code (FLO-30) and the inviscid-viscous interaction is performed by updating the original wing surface with the viscous displacement surface calculated by the boundary-layer code. The number of these global iterations ranged from five to twelve depending on Mach number, sweep angle, and angle of attack. Several test cases are computed by this method and the results are compared with another inviscid-viscous interaction method (TAWFIVE) and with experimental data.

Woodson, Shawn H.↗

Evolutionary Computing for Low-thrust Navigation

The development of new mission concepts requires efficient methodologies to analyze, design and simulate the concepts before implementation. New mission concepts are increasingly considering the use of ion thrusters for fuel-efficient navigation in deep space. This paper presents parallel, evolutionary computing methods to design trajectories of spacecraft propelled by ion thrusters and to assess the trade-off between delivered payload mass and required flight time. The developed methods utilize a distributed computing environment in order to speed up computation, and use evolutionary algorithms to find globally Pareto-optimal solutions. The methods are coupled with two main traditional trajectory design approaches, which are called direct and indirect. In the direct approach, thrust control is discretized in either arc time or arc length, and the resulting discrete thrust vectors are optimized. In the indirect approach, a thrust control problem is transformed into a costate control problem, and the initial values of the costate vector are optimized. The developed methods are applied to two problems: 1) an orbit transfer around the Earth and 2) a transfer between two distance retrograde orbits around Europa, the closest to Jupiter of the icy Galilean moons. The optimal solutions found with the present methods are comparable to other state-of-the-art trajectory optimizers and to analytical approximations for optimal transfers, while the required computational time is several orders of magnitude shorter than other optimizers thanks to an intelligent design of control vector discretization, advanced algorithmic parameterization, and parallel computing.

optimization↗