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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS2013

A Green's Function Approach to Simulate DNA Damage by the Indirect Effect

The DNA damage is of fundamental importance in the understanding of the effects of ionizing radiation. DNA is damaged by the direct effect of radiation (e.g. direct ionization) and by indirect effect (e.g. damage by.OH radicals created by the radiolysis of water). Despite years of research, many questions on the DNA damage by ionizing radiation remains. In the recent years, the Green's functions of the diffusion equation (GFDE) have been used extensively in biochemistry [1], notably to simulate biochemical networks in time and space [2]. In our future work on DNA damage, we wish to use an approach based on the GFDE to refine existing models on the indirect effect of ionizing radiation on DNA. To do so, we will use the code RITRACKS [3] developed at the NASA Johnson Space Center to simulate the radiation track structure and calculate the position of radiolytic species after irradiation. We have also recently developed an efficient Monte‐Carlo sampling algorithm for the GFDE of reversible reactions with an intermediate state [4], which can be modified and adapted to simulate DNA damage by free radicals. To do so, we will use the known reaction rate constants between radicals (OH, eaq, H,...) and the DNA bases, sugars and phosphates and use the sampling algorithms to simulate the diffusion of free radicals and chemical reactions with DNA. These techniques should help the understanding of the contribution of the indirect effect in the formation of DNA damage and double‐strand breaks.

Plante, Ianik↗
DOE OSTI2020

INTEGRATION OF FLEX EQUIPMENT AND OPERATOR ACTIONS IN PLANT FORCE-ON-FORCE MODELS WITH DYNAMIC RISK ASSESSMENT

The overall operation and maintenance cost to protect nuclear power plants accounts for approximately 7% of the total cost of power generation, with labor accounting for half of this cost. In the current research, from interaction with utilities and other stakeholders, it was determined that physical security forces account for nearly 20% of the entire workforce at several nuclear power plants. Labor costs continue to rise in the U.S., so any measures to reduce the cost of operating a nuclear power plant will need to include a reduction in labor. The physical security pathway within the DOE’s Light Water Reactor Sustainability program aims to lower the cost of physical security through directed research into modeling and simulation, application of advanced sensors or deployment of advanced weapons. This report presents a modeling and simulation framework for integrating Diverse and Flexible Mitigation Capability (FLEX) portable equipment performance with Force on Force models of a plant’s physical security posture. The generic framework is described in detail, followed by a case study of modeling an adversarial attack aimed at causing a radiological release by sabotaging the plant’s power supply and its ultimate heat sink capabilities at a hypothetical nuclear power plant. Two different FLEX deployment strategies, series and parallel, are modeled with distinct timelines. The results of the adversarial attack modeled in a commercial Force on Force tool are integrated with the FLEX deployment model in INL’s dynamic modeling tool EMRALD. Monte Carlo simulation is used to model the distribution of the timeline in FLEX deployment strategies. The results demonstrate that, even in the extreme case of a successful adversarial attack, deployment of FLEX equipment can result in a significantly high likelihood of preventing radiological release. The modeling and simulation framework integrating FLEX equipment with Force on Force models enables the nuclear power plants to credit FLEX portable equipment in the plant security posture, resulting in an efficient and optimized physical security.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

FY25 MOOSE Usability Improvements: 3D Meshing Capabilities, Initiation of Geometry Support for Monte Carlo Tools, and Enhancement of MOOSE/Workbench User Input Interactions

Usability improvements have been made to MOOSE and Workbench in FY25 to enhance usability and user workflows. Assorted enhancement have been made to MOOSE’s intrinsic meshing capabilities in order to enable more flexible and complex meshing of nuclear reactor systems, in particular for 3D applications. Mesh generators have been added to perform operations such as batch mesh generation, surface mesh generation, and creation of 3D transition layers. These mesh generation capabilities make it much easier to generate high quality non-extruded 3D meshes. Additionally, work to integrate Monte Carlo reactor physics simulations into MOOSE-based multi-physics workflows has reached another milestone with the implementation of the Constructive Solid Geometry (CSG) base framework. This framework lays the foundation for mesh generators to offer the user a generic CSG output option (as opposed to a finite element mesh). To support users, workshop on the MOOSE Reactor Module was delivered which featured hands-on examples using the NEAMS Workbench on INL’s High Performance Computing system. Recent updates to the NEAMS Workbench, WASP, and the MOOSE language server have introduced several improvements aimed at making MOOSE-based simulation setup and input management faster, more accurate, and easier to use. Key capabilities that have been added include multi-tab-stop autocompletion, visual input diagnostics, developer-directed data visualizations, upgraded ParaView integration, and Workspace-level file tracking. Together, these changes make it easier for users to build, validate, and manage complex MOOSE-based simulation models — especially those involving reusable components, included files, and datasets. The improvements are designed to save time, reduce input errors, and help users get to a successful simulation run faster, with more confidence in the results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2006

Adapting Covariance Propagation to Account for the Presence of Modeled and Unmodeled Maneuvers

This paper explores techniques that can be used to adapt the standard linearized propagation of an orbital covariance matrix to the case where there is a maneuver and an associated execution uncertainty. A Monte Carlo technique is used to construct a final orbital covariance matrix for a 'prop-burn-prop' process that takes into account initial state uncertainty and execution uncertainties in the maneuver magnitude. This final orbital covariance matrix is regarded as 'truth' and comparisons are made with three methods using modified linearized covariance propagation. The first method accounts for the maneuver by modeling its nominal effect within the state transition matrix but excludes the execution uncertainty by omitting a process noise matrix from the computation. The second method does not model the maneuver but includes a process noise matrix to account for the uncertainty in its magnitude. The third method, which is essentially a hybrid of the first two, includes the nominal portion of the maneuver via the state transition matrix and uses a process noise matrix to account for the magnitude uncertainty. The first method is unable to produce the final orbit covariance except in the case of zero maneuver uncertainty. The second method yields good accuracy for the final covariance matrix but fails to model the final orbital state accurately. Agreement between the simulated covariance data produced by this method and the Monte Carlo truth data fell within 0.5-2.5 percent over a range of maneuver sizes that span two orders of magnitude (0.1-20 m/s). The third method, which yields a combination of good accuracy in the computation of the final covariance matrix and correct accounting for the presence of the maneuver in the nominal orbit, is the best method for applications involving the computation of times of closest approach and the corresponding probability of collision, PC. However, applications for the two other methods exist and are briefly discussed. Although the process model ("prop-burn-prop") that was studied is very simple - point-mass gravitational effects due to the Earth combined with an impulsive delta-V in the velocity direction for the maneuver - generalizations to more complex scenarios, including high fidelity force models, finite duration maneuvers, and maneuver pointing errors, are straightforward and are discussed in the conclusion.

Schiff, Conrad↗
DOE OSTI2024

Bounds on galaxy stochasticity from halo occupation distribution modeling

The joint probability distribution of matter overdensity and galaxy counts in cells is a powerful probe of cosmology, and the extent to which variance in galaxy counts at fixed matter density deviates from Poisson shot noise is not fully understood. The lack of informed bounds on this stochasticity is currently the limiting factor in constraining cosmology with the galaxy–matter probability distribution function (PDF). We investigate stochasticity in the conditional distribution of galaxy counts along lines of sight with fixed matter density, and we present a halo occupation distribution (HOD)-based approach for obtaining plausible ranges for stochasticity parameters. To probe the high-dimensional space of possible galaxy–matter connections, we derive a set of HODs that conserve the galaxies’ linear bias and number density to produce RED M A G I C-like galaxy catalogs within the A BACUS S UMMIT suite of N -body simulations. We study the impact of individual HOD parameters and cosmology on stochasticity and perform a Monte Carlo search in HOD parameter space subject to the constraints on bias and density. In mock catalogs generated by the selected HODs, shot noise in galaxy counts spans both sub-Poisson and super-Poisson values, ranging from 80% to 133% of Poisson variance for cells with mean matter density. Nearly all of the derived HODs show a positive relationship between local matter density and stochasticity. For galaxy catalogs with higher stochasticity, modeling galaxy bias to second order is required for an accurate description of the conditional PDF of galaxy counts at fixed matter density. The presence of galaxy assembly bias also substantially extends the range of stochasticity in the super-Poisson direction. This HOD-based approach leverages degrees of freedom in the galaxy–halo connection to obtain informed bounds on nuisance model parameters and can be adapted to study other parametrizations of shot noise in galaxy counts, in particular to motivate prior ranges on stochasticity for cosmological analyses.

Britt, Dylan (ORCID:000000019905601X)↗
DOE OSTI2022

Sampling lattices in semi-grand canonical ensemble with autoregressive machine learning

Calculating thermodynamic potentials and observables efficiently and accurately is key for the application of statistical mechanics simulations to materials science. However, naive Monte Carlo approaches, on which such calculations are often dependent, struggle to scale to complex materials in many state-of-the-art disciplines such as the design of high entropy alloys or multi-component catalysts. To address this issue, we adapt sampling tools built upon machine learning-based generative modeling to the materials space by transforming them into the semi-grand canonical ensemble. Furthermore, we show that the resulting models are transferable across wide ranges of thermodynamic conditions and can be implemented with any internal energy model U, allowing integration into many existing materials workflows. We demonstrate the applicability of this approach to the simulation of benchmark systems (AgPd, CuAu) that exhibit diverse thermodynamic behavior in their phase diagrams. Finally, we discuss remaining challenges in model development and promising research directions for future improvements.

36 MATERIALS SCIENCE↗
NASA NTRS2011

New Modeling Approaches to Investigate Cell Signaling in Radiation Response

Ionizing radiation damages individual cells and tissues leading to harmful biological effects. Among many radiation-induced lesions, DNA double-strand breaks (DSB) are considered the key precursors of most early and late effects [1] leading to direct mutation or aberrant signal transduction processes. In response to damage, a flow of information is communicated to cells not directly hit by the radiation through signal transduction pathways [2]. Non-targeted effects (NTE), which includes bystander effects and genomic instability in the progeny of irradiated cells and tissues, may be particularly important for space radiation risk assessment [1], because astronauts are exposed to a low fluence of heavy ions and only a small fraction of cells are traversed by an ion. NTE may also have important consequences clinical radiotherapy [3]. In the recent years, new simulation tools and modeling approaches have become available to study the tissue response to radiation. The simulation of signal transduction pathways require many elements such as detailed track structure calculations, a tissue or cell culture model, knowledge of biochemical pathways and Brownian Dynamics (BD) propagators of the signaling molecules in their micro-environment. Recently, the Monte-Carlo simulation code of radiation track structure RITRACKS was used for micro and nano-dosimetry calculations [4]. RITRACKS will be used to calculate the fraction of cells traversed by an ion and delta-rays and the energy deposited in cells in a tissue model. RITRACKS also simulates the formation of chemical species by the radiolysis of water [5], notably the .OH radical. This molecule is implicated in DNA damage and in the activation of the transforming growth factor beta (TGF), a signaling molecule involved in NTE. BD algorithms for a particle near a membrane comprising receptors were also developed and will be used to simulate trajectories of signaling molecules in the micro-environment and characterize autocrine and paracrine cell communication and signal transduction.

Plante, Ianik↗
DOE OSTI2026

An Uncertainty-Informed and High-Fidelity Performance Forecasting Framework for Heliostat Fields

Concentrating Solar Thermal (CST) tower systems employ heliostat fields to direct solar energy to a central receiver, which then transfers the heat either directly to a thermal process (e.g., steam production) or to a thermal energy storage system for future use. Heliostat fields compose a significant proportion of the project costs of a CST tower system and the performance of the heliostats determines a plant's productivity at a given location. While CST characterization tools such as SolarPILOT and System Advisor Model (SAM) include a large collection of inputs that influence the performance of a CST tower system, many are uncertain prior to the development of the project and may have a significant impact on the overall energy delivery and profitability of a project; moreover, the fidelity of these models under default conditions may be insufficient to determine the value of component improvements such as those under development in the Heliostat Consortium. This work introduces a Monte Carlo simulation framework that incorporates uncertainty in key performance parameters to generate confidence intervals and percentile estimates for a CST solar field's energy delivery.

14 SOLAR ENERGY↗
NASA NTRS1999

Improving Pixel Level Cloud Optical Property Retrieval using Monte Carlo Simulations

The accurate pixel-by-pixel retrieval of cloud optical properties from space is influenced by radiative smoothing due to high order photon scattering and radiative roughening due to low order scattering events. Both are caused by cloud heterogeneity and the three-dimensional nature of radiative transfer and can be studied with the aid of computer simulations. We use Monte Carlo simulations on variable 1-D and 2-D model cloud fields to seek for dependencies of smoothing and roughening phenomena on single scattering albedo, solar zenith angle, and cloud characteristics. The results are discussed in the context of high resolution satellite (such as Landsat) retrieval applications. The current work extends the investigation on the inverse NIPA (Non-local Independent Pixel Approximation) as a tool for removing smoothing and improving retrievals of cloud optical depth. This is accomplished by: (1) Delineating the limits of NIPA applicability; (2) Exploring NIPA parameter dependences on cloud macrostructural features, such as mean cloud optical depth and geometrical thickness, degree of extinction and cloud top height variability. We also compare parameter values from empirical and theoretical considerations; (3) Examining the differences between applying NIPA on radiation quantities vs direct application on optical properties; (4) Studying the radiation budget importance of the NIPA corrections as a function of scale. Finally, we discuss fundamental adjustments that need to be considered for successful radiance inversion at non-conservative wavelengths and oblique Sun angles. These adjustments are necessary to remove roughening signatures which become more prominent with increasing absorption and solar zenith angle.

Oreopoulos, Lazaros↗
DOE OSTI2020

Flaw Tolerance of Octet Truss Lattices with Random Flaws

We investigate the behavior of octet truss lattices in which some proportion of the bars are randomly removed from a perfect lattice. Using a lattice specimen of 9 × 9 × 9 octet truss unit cells as the nominal design, we simulate the response of prefect and flawed lattices with a finite element method implementation of rod theory. For each of two simple load cases, we perform a Monte Carlo analysis where we consider many instantiations of flawed lattices where between 1% and 20% of the bars are missing, and compare the axial loads in the remaining bars to those in the perfect lattice. We also compare the overall stiffness of the flawed lattices to the perfect lattice. Our results show progressive deterioration of lattice strength and stiffness with increasing proportion of missing bars, as expected, with the location and magnitude of the highest-loaded (most failure-prone) bars depending more on the load case and bar orientation than on the location and connectivity of missing bars. As such, the results reported herein may not be directly transferable to different lattice geometries.

36 MATERIALS SCIENCE↗
NASA NTRS2018

6DOF Testing of the SLS Inertial Navigation Unit

The Navigation System on the NASA Space Launch System (SLS) Block 1 vehicle performs initial alignment of the Inertial Navigation System (INS) navigation frame through gyrocompass alignment (GCA). Because the navigation architecture for the SLS Block 1 vehicle is a purely inertial system, the accuracy of the achieved orbit relative to mission requirements is very sensitive to initial alignment accuracy. The assessment of this sensitivity and many others via simulation is a part of the SLS Model-Based Design and Model-Based Requirements approach. As a part of the aforementioned, 6DOF Monte Carlo simulation is used in large part to develop and demonstrate verification of program requirements. To facilitate this and the GN&C flight software design process, an SLS-Program-controlled Design Math Model (DMM) of the SLS INS was developed by the SLS Navigation Team. The SLS INS model implements all of the key functions of the hardware-namely, GCA, inertial navigation, and FDIR (Fault Detection, Isolation, and Recovery)-in support of SLS GN&C design requirements verification. Despite the strong sensitivity to initial alignment, GCA accuracy requirements were not verified by test due to program cost and schedule constraints. Instead, the system relies upon assessments performed using the SLS INS model. In order to verify SLS program requirements by analysis, the SLS INS model is verified and validated against flight hardware. In lieu of direct testing of GCA accuracy in support of requirement verification, the SLS Navigation Team proposed and conducted an engineering test to, among other things, validate the GCA performance and overall behavior of the SLS INS model through comparison with test data. This paper will detail dynamic hardware testing of the SLS INS, conducted by the SLS Navigation Team at Marshall Space Flight Center's 6DOF Table Facility, in support of GCA performance characterization and INS model validation. A 6-DOF motion platform was used to produce 6DOF pad twist and sway dynamics while a simulated SLS flight computer communicated with the INS. Tests conducted include an evaluation of GCA algorithm robustness to increasingly dynamic pad environments, an examination of GCA algorithm stability and accuracy over long durations, and a long-duration static test to gather enough data for Allan Variance analysis. Test setup, execution, and data analysis will be discussed, including analysis performed in support of SLS INS model validation.

Geohagan, Kevin↗
DOE OSTI2020

Improved modeling of β electronic recoils in liquid xenon using LUX calibration data

We report here methods and techniques for creating and improving a model that reproduces the scintillation and ionization response of a dual-phase liquid and gaseous xenon time-projection chamber. Starting with the recent release of the Noble Element Simulation Technique (NEST v2.0), electronic recoil data from the $\beta$ decays of ${}^3$H and ${}^{14}$C in the Large Underground Xenon (LUX) detector were used to tune the model, in addition to external data sets that allow for extrapolation beyond the LUX data-taking conditions. This paper also presents techniques used for modeling complicated temporal and spatial detector pathologies that can adversely affect data using a simplified model framework. The methods outlined in this report show an example of the robust applications possible with NEST v2.0, while also providing the final electronic recoil model and detector parameters that will used in the new analysis package, the LUX Legacy Analysis Monte Carlo Application (LLAMA), for accurate reproduction of the LUX data. As accurate background reproduction is crucial for the success of rare-event searches, such as dark matter direct detection experiments, the techniques outlined here can be used in other single-phase and dual-phase xenon detectors to assist with accurate ER background reproduction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Super‐Droplet Method to Simulate Lagrangian Microphysics of Nuclear Fallout in a Homogeneous Cloud

Abstract Nuclear detonations produce hazardous local and global particles or fallout. Predicting fallout size, chemical components, and location is necessary to inform officials and determine immediate guidance for the public. However, existing nuclear detonation fallout models prescribe the particle size distributions based on limited observations. In this work, we apply the super‐droplet method, which is a numerical modeling technique developed for cloud microphysics, to simulate size distributions of particles in a mushroom cloud formed post‐detonation of a nuclear device. We model fallout formation and evolution with homogeneous nucleation and condensation of a single species and a Monte Carlo coagulation algorithm. We verify the numerical methods representing coagulation and condensation processes against analytical test problems. Additionally, we explore several scenarios for the integral system mass and yield in equivalent kilotons (kt) of TNT (trinitrotoluene). The fallout size distribution median diameter d pg follows a scaling law based on the integral system mass m v 0 kg and yield Y kt: nm. We test the effect of cloud turbulence, enhanced nucleation and growth, and vapor volatility with a sensitivity study. The range in median diameter predictions for simulations of historical tests performed over the Pacific encompass the measurements of particles sampled from the cloud caps. Predicted median particle size ranges up to 217, 123, 86, and 35 nm for historical tests with yields of 0.2, 0.7, 2, and 10 Mt, respectively. This work can be expanded in many different directions to build a more predictive model for fallout formation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRSDate not supplied

L2-Charged Particle Environment (L2-CPE)Low Energy Radiation Fluence Model

The L2 Charged Particle Environment (L2-CPE) model provides estimates of number flux and fluence for the low energy electron, proton, and alpha particle populations in the near Earth solar wind and the Earth’s distant magnetosheath and magnetotail. The model is an engineering tool for specifying radiation environments over an energy range from a few eV to a few MeV of importance to surface dose and radiation damage to thin space exposed materials and is intended for use in space system design applications. Mission fluences are obtained by simulating a spacecraft flight trajectory through time-dependent bow shock and magnetopause boundaries with dimensions and orientations driven by solar wind parameters. Monte Carlo sampling of flux environments within individual plasma regimes and/or fluence accumulated along a fight trajectory through multiple regimes is used to determine statistical variations (means and extremes) of the differential number flux and fluence environments for each of the three charged particle species. Model output is differential (in energy) number fluence and flux for the three particle species in units of particles/cm2-keV and particles/cm2-sec-keV, respectively. Users can select the energy range of interest but the current version of the code (L2-CPE Version 1.4.2d) is limited to an energy range of 1 eV to 10 MeV. Flux is integrated over angle to give flux and fluence to surfaces in the ±XGSE, ±YGSE, and/or ±ZGSE directions. Figure 1 shows the opening screen from the L2-CPE graphical user interface (GUI) with options for flux, fluence, plotting model output. The flux scene generate is not currently implemented in the GUI.

Joseph I Minow↗
DOE OSTI2025

Improvement and Verification of Online Cross Section Generation Capability of Griffin for TRISO-fueled Reactors

Griffin, a MOOSE-based reactor multiphysics code jointly developed by Idaho National Laboratory and Argonne National Laboratory under the DOE Office of Nuclear Energy’s NEAMS program, has pursued the development of an online multigroup cross section generation capability for a few years to enable high-fidelity, problem-dependent neutronics analyses of advanced thermal reactors. Recent advancements in Griffin’s online multigroup cross section generation capability have significantly improved the accuracy, robustness, and efficiency of self-shielding calculations for both prismatic and pebble-bed TRISO-fueled reactor applications. Key developments include a unified fuel self-shielding method applicable to both TRISO and annular compact/spherical shell fuel zone geometries; an advanced Dancoff Category-based Equivalence Theory using a bell function for non-fuel resonance treatment, achieving more than an order-of-magnitude speedup compared to the Tone method; an on-the-fly multigroup equivalence approach to mitigate group condensation errors; and a streaming correction method for pebble-bed homogenization. A proof-of-concept demonstration of on-the-fly group condensation with consistent P0 transport correction was also achieved. The method reproduced direct fine-group solutions with excellent accuracy (eigenvalue errors within 10 pcm and pin-power differences within 0.5%), but due to performance limitations of the current fixed-source solver, improvements to solver efficiency will be addressed in future work. Verification tests were performed on graphite-moderated TRISO-fueled two-dimensional core benchmark problems representing gas-cooled microreactors, heat pipe-cooled microreactors, gas-cooled pebble-bed reactors, and fluoride salt-cooled high-temperature reactors. Across all cases, Griffin showed excellent agreement with Serpent2 continuous energy Monte Carlo solutions: eigenvalue errors within 200 pcm, pin-power root-mean-square errors within 2%, and control rod and drum worth errors less than 2%. It should be noted that, for the benchmark problem, cross section generation contributed less than 3% of the total simulation times. These results demonstrate that Griffin’s online cross section generation capability delivers accurate and efficient reactor physics solutions across a wide spectrum of TRISO-fueled advanced reactor designs. With further improvements to the fine-group fixed-source solver and planned extensions to depletion, transients, and coupled neutron–gamma transport, Griffin will be well-positioned to become a powerful and comprehensive tool for advanced reactor analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1991

Procedures for Including Secondary Electron Emission in Numerical Simulations of Plasma-Insulator Interactions

Previous Monte Carlo simulations provide a data base for properties of secondary electron emission (SEE) from insulators and metals. Incident primary electrons are considered at energies up to 1200 eV. The behavior of secondary electrons is characterized by (1) yield vs. primary energy E(sub p), (2) distribution vs. secondary energy E(sub s), and (3) distribution vs. angle of emission theta. Special attention is paid to the low energy range E(sub p) up to 50 eV, where the number and energy of secondary electrons is limited by the finite band gap of the insulator. For primary energies above 50 eV the SEE yield curve can be conveniently parameterized by a Haffner formula. The energy distribution of secondary electrons is described by an empirical formula with average energy about 8.0 eV. The angular distribution of secondaries is slightly more peaked in the forward direction than the customary cos theta distribution. Empirical formulas and parameters are given for all yield and distribution curves. Procedures and algorithms are described for using these results to find the SEE yield, and then to choose the energy and angle of emergence of each secondary electron. These procedures can readily be incorporated into numerical simulations of plasma-solid surface interactions in low earth orbit.

Beyst, Brian↗
NASA NTRS2009

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.↗
NASA NTRS2003

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.↗