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On the continuous dependence with respect to sampling of the linear quadratic regulator problem for distributed parameter system

The convergence of solutions to the discrete- or sampled-time linear quadratic regulator problem and associated Riccati equation for infinite-dimensional systems to the solutions to the corresponding continuous time problem and equation, as the length of the sampling interval (the sampling rate) tends toward zero(infinity) is established. Both the finite-and infinite-time horizon problems are studied. In the finite-time horizon case, strong continuity of the operators that define the control system and performance index, together with a stability and consistency condition on the sampling scheme are required. For the infinite-time horizon problem, in addition, the sampled systems must be stabilizable and detectable, uniformly with respect to the sampling rate. Classes of systems for which this condition can be verified are discussed. Results of numerical studies involving the control of a heat/diffusion equation, a hereditary or delay system, and a flexible beam are presented and discussed.

Rosen, I. G.↗

Rapid Trajectory Optimization for the ARES I Launch Vehicle

A simplified ascent trajectory optimization procedure has been developed with application to NASA's proposed Ares I launch vehicle. In the interest of minimizing bending loads and ensuring safe separation of the first-stage solid rocket motor, the vehicle is con- strained to follow a gravity-turn trajectory. This reduces the design space to just two free parameters, the pitch rate after a short vertical rise phase to clear the launch pad, and initial launch azimuth. The pitch rate primarily controls the in-plane parameters (altitude, speed, flight path angle) of the trajectory whereas the launch azimuth primarily controls the out-of-plane portion (velocity heading.) Thus, the optimization can be mechanized as two one-dimensional searches that converge quickly and reliably. The method is compared with POST-optimized trajectories to verify its optimality.

Dukeman, Greg A.↗

Active- and transfer-learning applied to microscale-macroscale coupling to simulate viscoelastic flows

Active- and transfer-learning are applied to microscale dynamics of polymer flows for the multiscale discovery of effective constitutive approximations required in viscoelastic flow simulation. The result is macroscopic rheology directly connected to a microstructural model. Micro and macroscale simulations are adaptively coupled by means of Gaussian process regression (GPR) to run the expensive microscale computations only as necessary. This multiscale method is demonstrated with flows of a polymer solution as a model system. At the microscale level dissipative particle dynamics (DPD) is employed to model the fluid as a suspension of bead-spring micro-structures subjected to steady shear flow. The results yield the non-Newtonian viscosity and the first normal stress difference at strain rates as training data used in a GPR model. DPD parameters are calibrated with respect to experimental data for a real polymer solution. Compliance with these data requires adjustment of the DPD model's cutoff radius, which then becomes a function of the second invariant of the strain rate tensor. The FENE-P model is chosen for the macroscale description using the spectral element method (SEM) to simulate channel flow and flow past a circular cylinder. The DPD results at the lowest possible shear strain rate yield an estimate of the zero-shear rate viscosity, which allows the initiation of the macroscale flow by SEM as a Newtonian fluid. The resulting strain-rate field is surveyed to determine additional shear strain rate sampling points for the DPD system. This new information allows an initial fitting of parameters of the constitutive equation followed by new SEM simulations at the macroscale. Additionally, guided by active-learning GPR to select new sampling points, this process continues until convergence is achieved. The effectiveness of this new simulation paradigm for viscoelastic flows is tested with different macroscale operating conditions. The effective closure learned in the channel simulation is then transferred directly to the flow past a circular cylinder at low Reynolds number, where the results show that only two additional DPD simulations are required to achieve a satisfactory constitutive model. With an increase of the Reynolds number, the active-learning scheme automatically detects the inaccuracy of the learned constitutive model, and initiates additional DPD simulations for the extra data needed to once again close the microscale-macroscale coupled system. This new paradigm of active- and transfer-learning for multiscale modeling is readily applicable to other microscale-macroscale coupled simulations of complex fluids and other materials. Furthermore, the coupling between microscale and macroscale solvers can be seamlessly implemented with our open source multiscale universal interface (MUI) library.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Uncovering heterogeneous intercommunity disease transmission from neutral allele frequency time series

The COVID-19 pandemic has underscored the need for accurate epidemic forecasting to predict pathogen spread, evolution, and evaluate intervention strategies. Forecast reliability hinges on detailed knowledge of disease transmission across population segments, which may be inferred from contact surveys or mobility data. However, these indirect approaches make it difficult to estimate rare transmissions between socially or geographically distant communities. We show that the steep ramp-up of genome sequencing surveillance during the pandemic can be leveraged to directly identify transmission patterns between geographically defined communities. Our approach uses a hidden Markov model to infer the fraction of infections a community imports from others based on how rapidly allele frequencies in the focal community converge to those in the donor communities. Applying this method to SARS-CoV-2 sequencing data from England and the United States, we uncover networks of intercommunity transmission that reflect geographical relationships while exposing significant long-range interactions. The scaling of importation rate with distance is consistent across both countries, yet weaker than expected based on mobility data, highlighting limitations of indirect inference. We show that transmission patterns can change between waves of variants of concern and analyze how the inferred heterogeneity in intercommunity transmission impacts evolutionary forecasts. While applied here to geographically defined communities, our approach could be applied to those defined by other traits (e.g., age, socioeconomic status), provided time-series data can be stratified accordingly. Overall, our study highlights population genomic time series data as a crucial record of epidemiological interactions, which can be deciphered using tree-free inference methods.

Okada, Takashi [Department of Physics; University ↗

Attitude determination of Galileo spacecraft from star data

An entirely autonomous attitude determination algorithm has been developed for the dual spin Galileo spacecraft in its mission to Jupiter. A batch mode process is established which identifies three stars within the scanner's field-of-view based on the criteria of intensity and geometry. This is followed by a continuous star acquisition procedure which provides star transit times and a spacecraft spin rate estimate. A least-squares estimator then sequentially determines the spacecraft's attitude from successive star crossings by minimizing an error derived using the necessary condition of star and scanner slit normal orthogonality. Simulation results are presented, showing successful star identification and attitude convergence in the presence of nutation and star transit time uncertainty.

Wong, E. C.↗

Effect of initial tangential velocity distribution on the mean evolution of a swirling turbulent free jet

An existing cold jet facility at NASA-Lewis was modified to produce swirling flows with controllable initial tangential velocity distribution. Distinctly different swirl velocity profiles were produced, and their effects on jet mixing characteristics were measured downstream of an 11.43 cm diameter convergent nozzle. It was experimentally shown that in the near field of a swirling turbulent jet, the mean velocity field strongly depends on the initial swirl profile. Two extreme tangential velocity distributions were produced. The two jets shared approximately the same initial mass flow rate of 5.9 kg/s, mass averaged axial Mach number and swirl number. Mean centerline velocity decay characteristics of the solid body rotation jet flow exhibited classical decay features of a swirling jet with S = 0.48 reported in the literature. It is concluded that the integrated swirl effect, reflected in the swirl number, is inadequate in describing the mean swirling jet behavior in the near field.

Farokhi, S.↗

Effect of initial tangential velocity distribution on the mean evolution of a swirling turbulent free jet

An existing cold jet facility at NASA-Lewis was modified to produce swirling flows with controllable initial tangential velocity distribution. Distinctly different swirl velocity profiles were produced, and their effects on jet mixing characteristics were measured downstream of an 11.43 cm diameter convergent nozzle. It was experimentally shown that in the near field of a swirling turbulent jet, the mean velocity field strongly depends on the initial swirl profile. Two extreme tangential velocity distributions were produced. The two jets shared approximately the same initial mass flow rate of 5.9 kg/s, mass averaged axial Mach number and swirl number. Mean centerline velocity decay characteristics of the solid body rotation jet flow exhibited classical decay features of a swirling jet with S = 0.48 reported in the literature. It is concluded that the integrated swirl effect, reflected in the swirl number, is inadequate in describing the mean swirling jet behavior in the near field.

Farokhi, S.↗

Global functions in global-local finite-element analysis of localized stresses in prismatic structures

An important consideration in the global local finite-element method (GLFEM) is the availability of global functions for the given problem. The role and mathematical requirements of these global functions in a GLFEM analysis of localized stress states in prismatic structures are discussed. A method is described for determining these global functions. Underlying this method are theorems due to Toupin and Knowles on strain energy decay rates, which are related to a quantitative expression of Saint-Venant's principle. It is mentioned that a mathematically complete set of global functions can be generated, so that any arbitrary interface condition between the finite element and global subregions can be represented. Convergence to the true behavior can be achieved with increasing global functions and finite-element degrees of freedom. Specific attention is devoted to mathematically two-dimensional and three-dimensional prismatic structures. Comments are offered on the GLFEM analysis of NASA flat panel with a discontinuous stiffener. Methods for determining global functions for other effects are also indicated, such as steady-state dynamics and bodies under initial stress.

Dong, Stanley B.↗

A direct application of the non-linear inverse transformation flight control system design on a STOVL aircraft

The nonlinear inverse transformation flight control system design method is applied to the Lockheed Ft. Worth Company's E-7D short takeoff and vertical land (STOVL) supersonic fighter/attack aircraft design with a modified General Electric F110 engine which has augmented propulsive lift capability. The system is fully augmented to provide flight path control and velocity control, and rate command attitude hold for angular axes during the transition and hover operations. In cruise mode, the flight control system is configured to provide direct thrust command, rate command attitude hold for pitch and roll axes, and sideslip command with turn coordination. A control selector based on the nonlinear inverse transformation method is designed specifically to be compatible with the propulsion system's physical configuration which has a two dimensional convergent-divergent aft nozzle, a vectorable ventral nozzle, and a thrust augmented ejector. The nonlinear inverse transformation is used to determine the propulsive forces and nozzle deflections, which in combination with the aerodynamic forces and moments (including propulsive induced contributions), and gravitational force, are required to achieve the longitudinal and vertical acceleration commands. The longitudinal control axes are fully decoupled within the propulsion system's performance envelope. A piloted motion-base flight simulation was conducted on the Vertical Motion Simulator (VMS) at NASA Ames Research Center to examine the handling qualities of this design. Based on results of the simulation, refinements to the control system have been made and will also be covered in the report.

Chung, W. W.↗

The Influence of Soil Moisture, Coastline Curvature, and Land-Breeze Circulations on Sea-Breeze Initiated Precipitation

Idealized numerical simulations are performed with a coupled atmosphere/land-surface model to identify the roles of initial soil moisture, coastline curvature, and land breeze circulations on sea breeze initiated precipitation. Data collected on 27 July 1991 during the Convection and Precipitation Electrification Experiment (CAPE) in central Florida are used. The 3D Goddard Cumulus Ensemble (GCE) cloud resolving model is coupled with the Goddard Parameterization for Land-Atmosphere-Cloud Exchange (PLACE) land surface model, thus providing a tool to simulate more realistically land-surface/atmosphere interaction and convective initiation. Eight simulations are conducted with either straight or curved coast-lines, initially homogeneous soil moisture or initially variable soil moisture, and initially homogeneous horizontal winds or initially variable horizontal winds (land breezes). All model simulations capture the diurnal evolution and general distribution of sea-breeze initiated precipitation over central Florida. The distribution of initial soil moisture influences the timing, intensity and location of subsequent precipitation. Soil moisture acts as a moisture source for the atmosphere, increases the connectively available potential energy, and thus preferentially focuses heavy precipitation over existing wet soil. Strong soil moisture-induced mesoscale circulations are not evident in these simulations. Coastline curvature has a major impact on the timing and location of precipitation. Earlier low-level convergence occurs inland of convex coastlines, and subsequent precipitation occurs earlier in simulations with curved coastlines. The presence of initial land breezes alone has little impact on subsequent precipitation. however, simulations with both coastline curvature and initial land breezes produce significantly larger peak rain rates due to nonlinear interactions.

Baker, David R.↗

Calculation of Supersonic Combustion Using Implicit Schemes

One of the technology goals of NASA for advanced space transportation is to develop highly efficient propulsion systems to reduce the cost of payload for space missions. Developments of rockets for the second generation Reusable Launch Vehicle (RLV) in the past several years have been focused on low-cost versions of conventional engines. However, recent changes in the Integrated Space Transportation Program to build a crew transportation vehicle to extend the life of the Space Shuttle fleet might suggest that air-breathing rockets could reemerge as a possible propulsion system for the third generation RLV to replace the Space Shuttle after 2015. The weight of the oxygen tank exceeds thirty percent of the total weight of the Space Shuttle at launch while the payload is only one percent of the total weight. The air-breathing rocket propulsion systems, which consume oxygen in the air, offer clear advantages by making vehicles lighter and more efficient. Experience in the National Aerospace Plane Program in the late 1980s indicates that scramjet engines can achieve high specific impulse for low hypersonic vehicle speeds. Whether taking a form of Rocket Based Combined Cycle (RBCC) or Turbine Based Combined Cycle (TBCC), the scramjet is an essential mode of operation for air-breathing rockets. It is well known that fuel-air mixing and rapid combustion are of crucial importance for the success of scramjet engines since the spreading rate of the supersonic mixing layer decreases as the Mach number increases. A factored form of the Gauss-Seidel relaxation method has been widely used in hypersonic flow research since its first application to non-equilibrium flows. However, difficulties in stability and convergence have been encountered when there is strong interaction between fluid motion and chemical reaction, such as multiple fuel injection problems. The present paper reports the results from investigation of the effect of modifications to the original algorithm on the performance for multiple injectors.

Yoon, Seokkwan↗

Fluctuations in Conjunction Miss Distance Projections as Time Approaches Time of Closest Approach

A responsibility of the Trajectory Operations Officer is to ensure that the International Space Station (ISS) avoids colliding with debris. United States Space Command (USSPACECOM) tracks and catalogs a portion of the debris in Earth orbit, but only objects with a perigee less than 600 km and a radar cross section (RCS) greater than 10 cm-objects that, in fact, represent only a small fraction of the objects in Earth orbit. To accommodate for this, the ISS uses shielding to protect against collisions with smaller objects. This study provides a better understanding of how quickly, and to what degree, USSPACECOM projections tend to converge to the final, true miss distance. The information included is formulated to better predict the behavior of miss distance data during real-time operations. It was determined that the driving components, in order of impact on miss distance fluctuations, are energy dissipation rate (EDR), RCS, and inclination. Data used in this analysis, calculations made, and conclusions drawn are stored in Microsoft Excel log sheets. A separate log sheet, created for each conjunction, contains information such as predicted miss distances, apogee and perigee of debris orbit, EDR, RCS, inclination, tracks and observations, statistical data, and other evaluation/orbital parameters.

Christian, John A., III↗

A Closer Look at the Congo and the Lightning Maximum on Earth

The global maps of maximum mean annual flash density derived from a decade of observations from the Lightning Imaging Sensor on the NASA Tropical Rainfall Measuring Mission (TRMM) satellite show that a 0.5 degree x 0.5 degree pixel west of Bukavu, Democratic Republic of Congo (latitude 2S, longitude 28E) has the most frequent lightning activity anywhere on earth with an average value in excess of 157 fl/sq km/yr. This pixel has a flash density that is much greater than even its surrounding neighbors. By contrast the maximum mean annual flash rate for North America located in central Florida is only 33 fl/sq km/yr. Previous studies have shown that monthly-seasonal-annual lightning maxima on earth occur in regions dominated by coastal (land-sea breeze interactions) or topographic influences (elevated heat sources, enhanced convergence). Using TRMM, Landsat Enhanced Thematic Mapper, and Shuttle Imaging Radar imagery we further examine the unique features of this region situated in the deep tropics and dominated by a complex topography having numerous mountain ridges and valleys to better understand why this pixel, unlike any other, has the most active lightning on the planet.

Blakeslee, R. J.↗

Segregation behavior in a stationary vertical zone with converging interfaces - Pressure-induced segregation effects

Crystal growth and segregation were investigated in a confined vertical melt zone in which the upper solid-melt interface advanced under destabilizing and the lower interface under stabilizing thermal gradients. A technique reported by Kim et al. (1972) was used in the study. The experimental results are discussed, giving attention to interface morphology and growth rate and questions of dopant segregation. Dopant inhomogeneities formed simultaneously in both advancing interfaces can be explained on the basis of pressure induced segregation effects.

Kim, K. M.↗

Implementation of an Orificing Optimization Algorithm in the DASSH Subchannel Analysis Code

The Ducted Assembly Steady-State Heat transfer code (DASSH) performs full-core subchannel thermal hydraulics calculations in liquid metal fast reactors. One of the applications of subchannel codes is to optimize coolant flow orificing. As a design activity, the primary task is to determine the best way to divide assemblies into groups and distribute coolant flow rates among them. This report documents an algorithm implemented in DASSH to automatically optimize coolant orificing. Over the course of multiple iterations, DASSH determines the orifice grouping and flow distribution that minimizes peak coolant, clad, or fuel temperatures across all timesteps for a user-specified number of assembly groups. The total coolant flow rate in the reactor is constrained to achieve the specified core-average outlet temperature. The flow rate to each orifice group may also be constrained by the allowable pressure drop. The distribution of coolant flow among groups is accelerated using a predictor-corrector algorithm based on interpolated results from single-assembly parametric calculations. The assembly orificing grouping is initially predicted based on assembly power but can be refined if results demonstrate that an assembly would fit better in another group. The algorithm is demonstrated with two case studies. The first is a simple model for a reactor core consisting of just fuel assemblies; the pin power distributions are specified to create a situation where the initial assembly grouping prediction is suboptimal. This example is used to describe the initial grouping, demonstrate convergence over multiple iterations, and highlight the impact of regrouping. Then, the algorithm is applied to minimize peak clad and fuel temperatures in an example sodium-cooled fast reactor, the Versatile Test Reactor. The multicycle optimization confirms prior calculations for the reference core design. The example highlights how optimizing for different peak temperatures affects the results and demonstrates the use of the pressure drop constraint to limit the maximum flow rate.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms

We employed QM/MM molecular dynamics (MD) simulations to characterize the rate-limiting step of the glycosylation reaction of pancreatic α-amylase with combined DFT/molecular dynamics methods (PBE/def2-SVP : AMBER). Upon careful choice of four starting active site conformations based on thorough reactivity criteria, Gibbs energy profiles were calculated with umbrella sampling simulations within a statistical convergence of 1 -2 kcal · mol -1 . Nevertheless, Gibbs activation barriers and reaction energies still varied from 11.0 to 16.8 kcal · mol -1 and -6.3 to +3.8 kcal · mol -1 depending on the starting conformations, showing that despite significant state-of-the-art QM/MM MD sampling (0.5 ns/profile) the result still depends on the starting structure. In conclusion, the results supported the one step dissociative mechanism of Asp197 glycosylation preceded by an acid-base reaction by the Glu233, which are qualitatively similar to those from multi-PES QM/MM studies, and thus support the use of the latter to determine enzyme reaction mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deterministic High-Fidelity Neutronics Simulation of Pebble Bed Reactors Using Pebble Tracking Transport

The pebble tracking transport (PTT) algorithm offers a high-fidelity deterministic approach for neutron transport for pebble bed reactors (PBRs). This approach requires the mesh for the active-core region to consist exclusively of tetrahedral elements, where each node in the pebble-packing region represents a pebble centroid. This paper investigates the application of PTT for full-scale PBRs, considering both the isothermal and the temperature-dependent core conditions. Macroscopic cross sections are generated using Serpent 2 full-core eigenvalue simulations where pebbles are grouped into disjoint subsets using machine learning. To minimize the need for individual cross-section sets for each pebble in the core, K-means clustering is used to group pebbles by temperature and neutronic environment parameters. Here, we compare the multiplication factor and power rate distributions between PTT simulations using the Griffin reactor physics software and reference solutions from Serpent 2. Our analysis shows that a full-core, high-fidelity PTT calculation produces accurate results with minimal local (pebblewise) errors. Additionally, timing results indicate that PTT simulations converge rapidly on modern supercomputing platforms.

Griffin↗

Benchmark calculations of thermal reaction rates. I - Quantal scattering theory

The thermal rate coefficient for the prototype reaction H + H2 yields H2 + H with zero total angular momentum is calculated by summing, averaging, and numerically integrating state-to-state reaction probabilities calculated by time-independent quantum-mechanical scattering theory. The results are very carefully converged with respect to all numerical parameters in order to provide high-precision benchmark results for confirming the accuracy of new methods and testing their efficiency.

Chatfield, David C.↗