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At least 865 records · Page 48

Machine Learning Assisted Safety Modeling and Analysis of Advanced Reactors

With the advances in computational power and numerical methods, analysts can now rely on first-principle simulations to predict ultra-fine details in a variety of applications. Advances in machine learning (ML) have produced algorithms that can now learn high-level abstractions via hierarchical models. This project aims to leverage advances in ML techniques and the available high-resolution simulation data to develop a novel modeling and simulation (M\&S) methodology for reactor safety analysis. While application-agnostic ML techniques are available, complex physics constraints need to be incorporated into ML techniques to build ML-based closures for computationally efficient predictive simulations. This project intends to develop a physics-guided data-driven multi-scale methodology for M\&S of advanced reactors. The project focuses on thermal fluid (T/F) phenomena, which play major roles in advanced reactor safety. Specifically, we propose a data-driven coarse-mesh turbulence model based on local flow features for the transient analysis of thermal mixing and stratification in a sodium-cooled fast reactor (SFR). The model has a coarse-mesh setup to ensure computational efficiency, while it is trained by fine-mesh computational fluid dynamics (CFD) data with Reynolds-averaged Navier-Stokes (RANS) turbulence model to ensure accuracy. Three different neural networks are developed and tested for loss-of-flow transients in the hot pool of SFR, i.e. the densely connected convolutional neural network (DCNN), long-short-term-memory network based on proper orthogonal decomposition (POD-LSTM), and the DCNN informed by LSTM (DCNN-LSTM). The performances of these three neural networks are evaluated based on baseline models. The DCNN-LSTM model has been chosen for further hyperparameter optimization. Furthermore, based on a simplified two-dimensional case, uncertainty quantification (UQ) of the developed ML-based closure are investigated with three methods, i.e. Monte Carlo dropout, deep ensemble, and Bayesian neural network. The developed ML-based turbulent viscosity closure relation based on deep ensemble is then integrated into the system analysis module SAM and serves as a term in the conservation equations. Such a SAM-ML based procedure guarantees that the obtained results are consistent with the physical constraints of the thermal-fluid system. The SAM-ML simulation on the same loss-of-flow transient showed comparable accuracy with the CFD simulation but with a much coarser mesh setup. Last but not least, the ML-based closure improvement with the support of higher-fidelity data from large eddy simulation (LES) is discussed. As a first step towards this direction, a baseline LES simulation is performed to obtain comparable data with RANS results. Based on the early results, future investigation on further improving the ML-based closure is discussed. We believe the developed approach that combines scientific machine learning with nuclear system analysis code can benefit the advanced reactor community as more accurate safety analyses will better characterize reactor safety margins and reduce licensing efforts.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Neutron Next-Event Estimators Kinematics (Rev.2)

This paper reviews the kinematics of neutron elastic and inelastic scattering with moving and stationary targets for contributions to Neutron Next-Event Estimators (NEEs). NEEs are often used for simulating the response of detectors in locations that have few random walk particles. Contributions to NEEs from collisions differ from sampling the outgoing particle state in standard random walk collisions as the location of the estimator is fixed, thus fixing the scattering angle between the incoming and outgoing directions. To calculate contributions to NEEs, the outgoing energies and probabilities of scatter toward the estimator must be calculated. This paper presents the most general case that encompasses elastic and inelastic scattering with both moving and stationary targets. The moving target case is required for elastic scattering with thermal motion due to the free gas thermal treatment approximation. The stationary target equations are presented for comparison with equations presented in canonical Monte Carlo texts.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Spectral Radiative Properties of Polydispersed SiO 2 Particle Beds

The focus of this work is on the measurement and analysis of the radiative properties of polycrystalline SiO 2 particle beds with various layer thicknesses. The particles are polydispersed with average diameters of 222, 150, and 40 μm . The spectral, directional–hemispherical reflectance and transmittance of the particle bed are measured at wavelengths from 0.4 to 1.8 μm using a monochromator, and the reflectance measurement is extended to 15 μm using a Fourier-transform infrared spectrometer. Particles are closely packed between two transparent windows for measuring the radiative properties. In the visible and near-infrared region up to 1.8 μm, the inverse adding–doubling method yields the effective absorption and scattering coefficients. The results suggest that short wavelength absorption needs to be included in modeling the behavior of particle beds due to multiple scattering. A discrete-scale Monte Carlo ray-tracing method is developed to model the radiative properties by assuming monodispersed spherical particles, and the simulated results compare well with measurements. The effective absorption and scattering coefficients of the particle beds obtained from the independent scattering theory are compared to those from the inverse method. As a result, the impact of dependent scattering on the packed beds is observed for smaller-sized particles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Reflectance Modeling

A classical description of the one dimensional radiative transfer treatment of vegetation canopies was completed and the results were tested against measured prairie (blue grama) and agricultural canopies (soybean). Phase functions are calculated in terms of directly measurable biophysical characteristics of the canopy medium. While the phase functions tend to exhibit backscattering anisotropy, their exact behavior is somewhat more complex and wavelength dependent. A Monte Carlo model was developed that treats soil surfaces with large periodic variations in three dimensions. A photon-ray tracing technology is used. Currently, the rough soil surface is described by analytic functions and appropriate geometric calculations performed. A bidirectional reflectance distribution function is calculated and, hence, available for other atmospheric or canopy reflectance models as a lower boundary condition. This technique is used together with an adding model to calculate several cases where Lambertian leaves possessing anisotropic leaf angle distributions yield non-Lambertian reflectance; similar behavior is exhibited for simulated soil surfaces.

Smith, J. A.↗

Acceleration of positrons in supernova shocks

During this project we investigated the acceleration of leptons (electrons and positrons) in collisionless shock waves. In particular, we were interested in how leptons are accelerated in the blast waves existing in the remnants of supernova explosions. Supernova remnants (SNRs) have long been considered as the most likely source of galactic cosmic rays but no definite connection between SNRs and the cosmic rays seen at earth can be made. Only by understanding lepton acceleration in shocks can the rich SNR data base be properly used to understand cosmic ray origins. Our project was directed at the neglected aspects of lepton acceleration. We showed that the efficiency of lepton acceleration depended critically on the lepton injection energy. We showed that, even when infection effects are not important, that proton and lepton distribution functions produced by shocks are quite different in the critical energy range for producing the observed synchrotron emission. We also showed that transrelativistic effects produced proton spectra that were not in agreement with standard results from radio observations, but that the lepton spectra were, in fact, consistent with observations. We performed simulations of relativistic shocks (shocks where the flow speed is a sizable fraction of the speed of light) and discovered some interesting effects. We first demonstrated the power of the Monte Carlo technique by determining the shock jump conditions in relativistic shocks. We then proceeded to determine how relativistic shocks accelerate particles. We found that nonlinear relativistic shocks treat protons and leptons even more differently than nonrelativistic shocks. The transrelativistic effects on the shock structure from the heavy ion component reduces the lepton acceleration to a tiny fraction of the ion acceleration. This effect is dramatic even if high energy leptons (many times thermal energy) are injected, and was totally unexpected. Our results have important consequences for astrophysical environments expected to harbor relativistic flows such as extra-galactic radio sources and accretion onto compact objects.

Ellison, Donald C.↗

Development of a Model for the Small-Particle Orbital Debris Population Based on the STS Impact Record

In preparation for the release of the Orbital Debris Engineering Model (ORDEM) version 3.1, the NASA Orbital Debris Program Office (ODPO) revisited how orbiting debris populations of characteristic sizes smaller than 1 cm were modeled. The primary contributor to the population of sub-centimeter debris particles is the surface deterioration or erosion of spacecraft materials exposed to the outer-space environment. Because small particulates are not directly trackable by remote sensing, the primary means of detection is via historical counts of small impact features on flown radiator and window surfaces of the U.S. Space Transportation System (STS, also known as the Space Shuttle) from 1995-2011. Historic NASA studies of high-velocity impact tests have related impact-feature size to particle mass and velocity for certain STS surfaces, so that a corresponding particle size may be inferred from each small-impact feature observed. Micro-debris populations are then estimated by modeling the path and orientation of an STS mission through a simulated debris environment, and the densities of this simulated environment are rescaled to approximate the number of observed STS impact features. Monte-Carlo methods are further employed to gauge the estimation uncertainty of the rescaled environment. A description of the chosen methodologies for estimating and adjusting the micro-debris population model, and the results, are presented.

Seago, J..↗

Decay Dose Shielding Analysis with Hybrid Unstructured Mesh/Constructive Solid Geometry Monte Carlo Calculation and ADVANTG Acceleration

Here, the target segments of the Oak Ridge National Laboratory Second Target Station (STS) neutron production facility become highly activated due to spallation reactions or nuclei transmutation by primary protons and emitted neutrons. Once the target segments are removed from their location within the core vessel, decay dose rates must be accurately quantified to determine the shielding configurations of remote-handling tools and transport casks and to aid in planning maintenance activities. For this analysis, we utilized a hybrid unstructured mesh (UM)/constructive solid geometry approach for calculating spallation products and neutron fluxes, activation calculations using the AARE package that includes the CINDER2008 activation code to calculate the decay photon source at different cooling times, and the ADVANTG code to accelerate the final decay photon transport calculation. Both Type 316 stainless steel (SS-316) and lead were investigated as candidates for shielding materials. The decay photon transport calculation through the thick SS-316 or lead shields exhibited between 25 and 30 orders-of-magnitude attenuations in the radial direction, depending on the shield. Such a difficult shielding calculation required advanced variance reduction. ADVANTG has some missing features, which limits its usability in spallation neutron source applications. It does not support volumetric sources created for MCNP6.2 UM capability. An approximate source was created for this problem. Not only was this approximate source needed for running the ADVANTG calculation to generate the weight windows, but also it was essential to develop source biasing (SB) parameters that were crucial for dramatically accelerating the decay photon transport in this problem. With this approximate source, the analysis was completed in a very reasonable computational time, and the design of the STS remote-handling equipment was finalized. This paper compares the efficiency of Monte Carlo simulations with different weight window and SB parameters calculated using different approximate ADVANTG calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Lattice QED in an external magnetic field: Evidence for dynamical chiral symmetry breaking

We simulate quantum electrodynamics (QED) in a strong constant homogeneous external magnetic field on a Euclidean space-time lattice using the rational hybrid Monte Carlo method, developed for simulating lattice quantum chromodynamics (QCD). Our primary goal is to measure the chiral condensate in the limit when the input electron mass m is zero. We observe a nonzero value, indicating that the external magnetic field catalyzes chiral symmetry breaking as predicted by approximate truncated Schwinger-Dyson methods. Such behavior is associated with dominance by the lowest Landau level which causes the effective dimensional reduction from 3 + 1 dimensions to 1 + 1 dimensions for charged particles (electrons and positrons) where the attractive forces of QED can produce chiral symmetry breaking with a dynamical electron mass and associated chiral condensate. Since our lattice simulations use bare (lattice) parameters, while the Schwinger-Dyson analyses work with renormalized quantities, direct numerical comparison will require renormalization of our lattice results. Published by the American Physical Society 2024

Kogut, J. B. (ORCID:000000030151548X)↗

Space Launch System Implementation of Adaptive Augmenting Control

Given the complex structural dynamics, challenging ascent performance requirements, and rigorous flight certification constraints owing to its manned capability, the NASA Space Launch System (SLS) launch vehicle requires a proven thrust vector control algorithm design with highly optimized parameters to provide stable and high-performance flight. On its development path to Preliminary Design Review (PDR), the SLS flight control system has been challenged by significant vehicle flexibility, aerodynamics, and sloshing propellant. While the design has been able to meet all robust stability criteria, it has done so with little excess margin. Through significant development work, an Adaptive Augmenting Control (AAC) algorithm has been shown to extend the envelope of failures and flight anomalies the SLS control system can accommodate while maintaining a direct link to flight control stability criteria such as classical gain and phase margin. In this paper, the work performed to mature the AAC algorithm as a baseline component of the SLS flight control system is presented. The progress to date has brought the algorithm design to the PDR level of maturity. The algorithm has been extended to augment the full SLS digital 3-axis autopilot, including existing load-relief elements, and the necessary steps for integration with the production flight software prototype have been implemented. Several updates which have been made to the adaptive algorithm to increase its performance, decrease its sensitivity to expected external commands, and safeguard against limitations in the digital implementation are discussed with illustrating results. Monte Carlo simulations and selected stressing case results are also shown to demonstrate the algorithm's ability to increase the robustness of the integrated SLS flight control system.

Wall, John H.↗

Radar-Based Bayesian Estimation of Ice Crystal Growth Parameters within a Microphysical Model

The potential for polarimetric Doppler radar measurements to improve predictions of ice microphysical processes within an idealized model–observational framework is examined. In an effort to more rigorously constrain ice growth processes (e.g., vapor deposition) with observations of natural clouds, a novel framework is developed to compare simulated and observed radar measurements, coupling a bulk adaptive-habit model of vapor growth to a polarimetric radar forward model. Bayesian inference on key microphysical model parameters is then used, via a Markov chain Monte Carlo sampler, to estimate the probability distribution of the model parameters. The statistical formalism of this method allows for robust estimates of the optimal parameter values, along with (non-Gaussian) estimates of their uncertainty. To demonstrate this framework, observations from Department of Energy radars in the Arctic during a case of pristine ice precipitation are used to constrain vapor deposition parameters in the adaptive habit model. The resulting parameter probability distributions provide physically plausible changes in ice particle density and aspect ratio during growth. A lack of direct constraint on the number concentration produces a range of possible mean particle sizes, with the mean size inversely correlated to number concentration. Consistency is found between the estimated inherent growth ratio and independent laboratory measurements, increasing confidence in the parameter PDFs and demonstrating the effectiveness of the radar measurements in constraining the parameters. Furthermore, the combined Doppler and polarimetric observations produce the highest-confidence estimates of the parameter PDFs, with the Doppler measurements providing a stronger constraint for this case.

54 ENVIRONMENTAL SCIENCES↗

Developing Atmospheric Retrieval Methods for Direct Imaging Spectroscopy of Gas Giants in Reflected Light I: Methane Abundances and Basic Cloud Properties

Reflected light spectroscopy and photometry of cool, directly imaged extrasolar giant planets are expected to be performed in the next decade by space-based telescopes equipped with optical wavelength coronagraphs and integral field spectrographs, such as the Wide-Field Infrared Survey Telescope (WFIRST). We are developing a new atmospheric retrieval methodology to help assess the science return and inform the instrument design for such future missions, and ultimately interpret the resulting observations. Our retrieval technique employs an albedo model coupled with both a Markov chain Monte Carlo Ensemble Sampler (emcee) and a multimodal nested sampling algorithm (MultiNest) to map the posterior distribution. This combination makes the global evidence calculation more robust for any given model, and highlights possible discrepancies in the likelihood maps. Here we apply this methodology to simulated spectra of cool giant planets. As a proof-of-concept, our current atmospheric model contains 1 or 2 cloud layers, methane as a major absorber, and a H2-He background gas. This 6-to-9 parameter model is appropriate for Jupiter-like planets and can be easily expanded in the future. In addition to deriving the marginal likelihood distribution and confidence intervals for the model parameters, we perform model selection to determine the significance of methane and cloud detection as a function of expected signal-to-noise, in the presence of spectral noise correlations. After internal validation, the method is applied to realistic reflected-light spectra of Jupiter, Saturn, and HD 99492 c, a likely observing target. We find that the presence or absence of clouds and methane can be determined with high accuracy, while parameters uncertainties are model-dependent.

spectroscopy↗

Radar-Based Bayesian Estimation of Ice Crystal Growth Parameters within a Microphysical Model

The potential for polarimetric Doppler radar measurements to improve predictions of ice microphysical processes within an idealized model–observational framework is examined. In an effort to more rigorously constrain ice growth processes (e.g., vapor deposition) with observations of natural clouds, a novel framework is developed to compare simulated and observed radar measurements, coupling a bulk adaptive-habit model of vapor growth to a polarimetric radar forward model. Bayesian inference on key microphysical model parameters is then used, via a Markov chain Monte Carlo sampler, to estimate the probability distribution of the model parameters. The statistical formalism of this method allows for robust estimates of the optimal parameter values, along with (non-Gaussian) estimates of their uncertainty. To demonstrate this framework, observations from Department of Energy radars in the Arctic during a case of pristine ice precipitation are used to constrain vapor deposition parameters in the adaptive habit model. The resulting parameter probability distributions provide physically plausible changes in ice particle density and aspect ratio during growth. A lack of direct constraint on the number concentration produces a range of possible mean particle sizes, with the mean size inversely correlated to number concentration. Consistency is found between the estimated inherent growth ratio and independent laboratory measurements, increasing confidence in the parameter PDFs and demonstrating the effectiveness of the radar measurements in constraining the parameters. The combined Doppler and polarimetric observations produce the highest-confidence estimates of the parameter PDFs, with the Doppler measurements providing a stronger constraint for this case.

Robert S. Schrom↗

Integration of Online Cross-Section Generation Capability with Depletion and Transient Solvers in Griffin

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE)-based reactor multiphysics analysis application jointly developed by Argonne and Idaho National Laboratories under the DOENE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In FY25, an online crosssection generation capability based on the Self-Shielding Application Programming Interface (SSAPI) was demonstrated for TRISO-fueled reactor problems under steady-state conditions. This fiscal year, that capability was extended to support depletion and transient multiphysics calculations, enabling high-fidelity analyses that generate self-shielded cross sections on the fly from the actual evolving composition and temperature states rather than from pre-tabulated libraries. For depletion, a two-way coupling was established in which SSAPI computes compact-averaged self-shielded cross sections that the depletion solver then uses to advance the Bateman equations, with the updated compositions returned to SSAPI at each step; the depletion module was refactored to support both library-based and SSAPI-based cross sections, and additional logic was added to track daughter isotopes and to exclude minor isotopes for efficiency. For transient analysis, the SSAPI multigroup library was extended with the kinetics data required for time-dependent calculations, the Improved Quasi-Static (IQS) scheme was coupled with SSAPI, and several supporting capabilities were implemented, including a self-shielding treatment that lets control rods and drums move within a self-shielded model, which had previously been impossible and had ruled out rod- and drum-movement transients with on-the-fly cross sections altogether, a new mixing scheme for delayed-neutron precursor decay constants, a checkpoint-based restart workflow, and performance improvements such as pointwise cross-section interpolation and the bypassing of unnecessary Dancoff factor calculations. The implemented capabilities were verified against Serpent Monte Carlo solutions. For depletion, a prismatic pin-cell problem based on a Next Generation Nuclear Plant (NGNP) Very High Temperature Reactor benchmark showed excellent agreement, with eigenvalue differences within 200 pcm over the entire burnup range (up to 140 MWD/kgU) and fission-product and actinide inventories agreeing to within 0.8% and 2.5%, respectively; a heat-pipe microreactor assembly problem with a much higher fuel loading confirmed the same behavior and quantified the bias introduced when the multigroup equivalence effect is neglected. For transient analysis, a pin-cell problem with a step reactivity insertion and temperature feedback reproduced the analytically expected asymptotic power and showed close agreement between the direct and IQS solutions, and a two-dimensional microreactor core problem with control-drum rotation exercised the new moving-drum self-shielding treatment and demonstrated successful coupling of the online crosssection generation with both the direct and IQS transient methods. The capability was further exercised on a full-core pebble-bed problem, in which Griffin was coupled with the System Analysis Module (SAM) to simulate load-following operation of the gPBR with the Doppler feedback resolved at the TRISO fuel kernel temperature. These developments in Griffin provide a convenient, high-fidelity approach to cross-section generation for advanced thermal reactors with geometrically complex and highly heterogeneous configurations, including TRISO-fueled prismatic and pebble-bed systems, and support steady-state, depletion, and transient multiphysics calculations. They also enable self-shielded cross sections to be evaluated directly at the actual coupled state of the system, thereby establishing a foundation for high-fidelity, fully coupled multiphysics analysis of advanced reactors

Park, H.↗

Rotational symmetry relation for efficient response function generation in the coarse mesh transport method COMET

The coarse mesh transport code COMET is a continuous energy hybrid stochastic-deterministic neutronics solver with high fidelity and formidable computation speed in solving reactor core problems. Its method is based on the incident flux expansion theory. In this work, we take advantage of the local geometric symmetry in many reactor cores lattices (e.g., fuel lattices and reflector blocks) to develop relations among the flux response expansion coefficients for symmetric surfaces to further improve the computational efficiency of the COMET response function generation tool (method). This is done by a rigorous derivation of the transformation matrices for the angular and spatial expansion moments resulting from a rotation of a coarse mesh by an arbitrary angle. The relations for the response coefficients for the symmetric surfaces can be then written as the Kronecker product of those transformation matrices. The method is implemented into COMET and tested on two advanced high temperature reactor (AHTR) full-length single assembly benchmark problems. The COMET results using the response function library based on the symmetry relations were compared to those using the library directly generated by continuous energy Monte Carlo for all surfaces. It was found that the eigenvalues and stripe-wise fission densities using the two libraries are in statistical agreement as expected. This indicates that the new method maintains the high fidelity of the original COMET method while improving the computational efficiency in the response function generation by 270% to 400%, depending on the local geometric symmetry. This method also reduces the size of the response function library by the same magnitude (270% to 400%). (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Newton trust-region methods with primary variable switching for simulating high temperature multiphase porous media flow

Coupling multiphase flow with energy transport due to high temperature heat sources introduces significant new challenges since boiling and condensation processes can lead to dry-out conditions with subsequent re-wetting. The transition between two-phase and single-phase behavior can require changes to the primary dependent variables adding discontinuities as well as extending constitutive nonlinear relations to extreme physical conditions. Practical simulations of large-scale engineered domains lead to Jacobian systems with a very large number of unknowns that must be solved efficiently using iterative methods in parallel on high-performance computers. Performance assessment of potential nuclear repositories, carbon sequestration sites and geothermal reservoirs can require numerous Monte-Carlo simulations to explore uncertainty in material properties, boundary conditions, and failure scenarios. Due to the numerical challenges, standard NR iteration may not converge over the range of required simulations and require more sophisticated optimization method like trust-region. In this study, we use the open-source simulator PFLOTRAN for the important practical problem of the safety assessment of future nuclear waste repositories in the U.S. DOE geologic disposal safety assessment Framework. The simulator applies the PETSc parallel framework and a backward Euler, finite volume discretization. We demonstrate failure of the conventional NR method and the success of trust-region modifications to Newton’s method for a series of test problems of increasing complexity. Trust-region methods essentially modify the Newton step size and direction under some circumstances where the standard NR iteration can cause the solution to diverge or oscillate. Furthermore, we show how the Newton Trust-Region method can be adapted for Primary Variable Switching (PVS) when the multiphase state changes due to boiling or condensation. The simulations with high-temperature heat sources which led to extreme nonlinear processes with many state changes in the domain did not converge with NR, but they do complete successfully with the trust-region methods modified for PVS. This implementation effectively decreased weeks of simulation time needing manual adjustments to complete a simulation down to a day. Finally, we show the strong scalability of the methods on a single node and multiple nodes in an HPC cluster.

54 ENVIRONMENTAL SCIENCES↗

Exact evaluation of large-charge correlation functions in nonrelativistic conformal field theory

The large-charge master field which generates all n -point correlation functions with an insertion of large charge Q in nonrelativistic conformal field theory is obtained. This field is used to compute Schrödinger-invariant n -point correlation functions of large-charge operators via a direct evaluation of the path integral. Conformal dimensions are found to agree with calculations based on the state-operator correspondence. The master field solution exhibits an emergent harmonic trap whose frequency is a function of the Euclidean time. The large-charge effective action with operator insertions describes a droplet of superfluid matter whose spatial size scales with the time separation of sources. The solution is used to compute Schrödinger symmetry breaking corrections in the large-charge effective field theory (EFT) due to a finite scattering length in the fundamental theory of fermions near unitarity. The scaling of these effects in the large-charge power counting scheme is established, and the size of the effects is quantified using input from quantum Monte Carlo simulations of the near-unitary gas, as well as from the large- N expansion at large charge. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

Presentation, Analysis, and Simulation of Active Alignment Strategies for the James Webb Space Telescope

This paper presents three characteristics in the simulated active alignment strategy of the James Webb Space Telescope. The first includes the analysis and comparison of a baseline active alignment strategy with a damped least squares strategy. This baseline utilizes prior knowledge by means of direct human operator interaction to engage sets of telescope compensators to target specific aberration signatures. The baseline is compared to a damped least-squares strategy that utilizes simultaneous engagement of all telescope compensators without explicit human operator inter<actiori to achieve a least-squares telescope compensation. Second, we discuss how the active alignment of the JWST is encapsulated in a linear optical model developed at the Space Telescope Science Institute. This linear optical model provides a framework for an efficient and robust description of the optical control properties of the JWST and clearly articulates the necessity for having a multi-instrument multi-field wavefront sensing strategy to overcome control system non independence and the effects of non-common path errors in the main wavefront sensing camera. Finally. we present analytical results that explicitly map the telescope wavefront responses to the telescope control modes, and we present Monte-Carlo optical performance simulation results that demonstrate the efficacy of the damped least-squares active alignment and the prior-knowledge active alignment schemes.

Upton, Robert S.↗

Alloy Design Workbench-Surface Modeling Package Developed

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Abel, Phillip B.↗