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NASA NTRS2010

Multiscale Simulations of Magnetic Island Coalescence

We describe a new interactive parallel Adaptive Mesh Refinement (AMR) framework written in the Python programming language. This new framework, PyAMR, hides the details of parallel AMR data structures and algorithms (e.g., domain decomposition, grid partition, and inter-process communication), allowing the user to focus on the development of algorithms for advancing the solution of a systems of partial differential equations on a single uniform mesh. We demonstrate the use of PyAMR by simulating the pairwise coalescence of magnetic islands using the resistive Hall MHD equations. Techniques for coupling different physics models on different levels of the AMR grid hierarchy are discussed.

Dorelli, John C.↗

DOE OSTI2026

Pre-Equilibrium De-Excitations for Neutrino-Nucleus Interactions

The Deep Underground Neutrino Experiment (DUNE) is sensitive to MeV-scale energy depositions from low-energy astrophysical neutrinos, including those from core-collapse supernovae. Interpreting these detector signals requires accurate modeling of the nuclear de-excitation that follows from the neutrino-nucleus interaction. The MARLEY (Model of Argon Reaction Low-Energy Yields) event generator specializes in the low-energy regime. MARLEY currently assumes the residual nucleus equilibrates immediately after the primary interaction. This omits the intermediate pre-equilibrium stage in which energy redistributes among nucleons until statistical equilibrium is reached. While pre-equilibrium effects are well established for nucleon-induced reactions, they have not previously been studied for neutrino-nucleus interactions. This work addresses that gap by implementing a two-component exciton model, which is the first dedicated treatment of pre-equilibrium de-excitation for neutrino-nucleus interactions, restructured around MARLEY's existing class hierarchy to prepare for direct integration, including particle-hole state densities, internal transition rates, and pre-equilibrium particle emission. The calculations show encouraging agreement with the TALYS-2.2 nuclear reaction code for neutron-nucleus interactions. We further propose a concrete integration path into the full MARLEY event generator, including derived class structure and an extended event record for pre-equilibrium vertices in support of future reweighting. Remaining work focuses on refining the emission width calculation, adding $\gamma$-ray emission, and completing this integration to quantify the impact of pre-equilibrium effects on the expected low-energy neutrino signals in DUNE and similar experiments.

Visser, Erin [Michigan State U., East Lansing (mai↗

NASA NTRS1998

Single-Transducer, Ultrasonic Imaging Method for High-Temperature Structural Materials Eliminates the Effect of Thickness Variation in the Image

NASA Lewis Research Center's Life Prediction Branch, in partnership with Sonix, Inc., and Cleveland State University, recently advanced the development of, refined, and commercialized an advanced nondestructive evaluation (NDE) inspection method entitled the Single Transducer Thickness-Independent Ultrasonic Imaging Method. Selected by R&D Magazine as one of the 100 most technologically significant new products of 1996, the method uses a single transducer to eliminate the superimposing effects of thickness variation in the ultrasonic images of materials. As a result, any variation seen in the image is due solely to microstructural variation. This nondestructive method precisely and accurately characterizes material gradients (pore fraction, density, or chemical) that affect the uniformity of a material's physical performance (mechanical, thermal, or electrical). Advantages of the method over conventional ultrasonic imaging include (1) elimination of machining costs (for precision thickness control) during the quality control stages of material processing and development and (2) elimination of labor costs and subjectivity involved in further image processing and image interpretation. At NASA Lewis, the method has been used primarily for accurate inspections of high temperature structural materials including monolithic ceramics, metal matrix composites, and polymer matrix composites. Data were published this year for platelike samples, and current research is focusing on applying the method to tubular components. The initial publicity regarding the development of the method generated 150 requests for further information from a wide variety of institutions and individuals including the Federal Bureau of Investigation (FBI), Lockheed Martin Corporation, Rockwell International, Hewlett Packard Company, and Procter & Gamble Company. In addition, NASA has been solicited by the 3M Company and Allison Abrasives to use this method to inspect composite materials that are manufactured by these companies.

Roth, Don J.↗

NASA NTRS2006

Applying Parallel Adaptive Methods with GeoFEST/PYRAMID to Simulate Earth Surface Crustal Dynamics

This viewgraph presentation reviews the use Adaptive Mesh Refinement (AMR) in simulating the Crustal Dynamics of Earth's Surface. AMR simultaneously improves solution quality, time to solution, and computer memory requirements when compared to generating/running on a globally fine mesh. The use of AMR in simulating the dynamics of the Earth's Surface is spurred by future proposed NASA missions, such as InSAR for Earth surface deformation and other measurements. These missions will require support for large-scale adaptive numerical methods using AMR to model observations. AMR was chosen because it has been successful in computation fluid dynamics for predictive simulation of complex flows around complex structures.

GeoFEST↗

DOE OSTI2026

TEM Approaches for Microstructure-Informed Prediction of Mechanical Properties in Structural Alloys

Predicting the mechanical performance of structural alloys from their evolving microstructure remains a major challenge in materials science, particularly for nuclear structural materials, where irradiation-induced defects span multiple types and length scales and interact through complex mechanisms. The dispersed barrier hardening (DBH) [1] and Friedel–Kroupa–Hirsch (FKH) [2,3] models have been widely used to evaluate the hardening contributions of individual obstacles and to estimate tensile strength from quantified microstructures; however, when multiple size-dependent obstacles coexist and evolve, predicting temperature-dependent tensile strength becomes significantly more complex, and a fully consistent hardening model is still lacking. Transmission electron microscopy (TEM) plays a central role in refining hardening models and enabling predictive assessments of tensile strength evolution by providing quantitative characterization of dislocations, irradiation-induced defects (e.g., dislocation loops and cavities), precipitates, and grain structure (Fig. 1.). These experimentally measured defect densities are incorporated into physically based hardening models with size- and shape- dependent obstacle strengths [4], using root-sum-square superposition for obstacles of comparable strength and linear superposition for dissimilar ones [5]. In addition, recent advances in TEM [6-8], including high-resolution imaging, 4D-STEM strain mapping, EDS/EELS elemental analysis, and flash-polishing-based TEM specimen preparation and extraction-replica methods (Fig. 2), further improve the accuracy of microstructural quantification. By comparison with prior studies as well as our own results, we show that when TEM-derived microstructural information is carefully integrated with physically grounded hardening models, yield strength (or irradiation-induced hardening) measured at room temperature can be predicted with good quantitative agreement across multiple alloy classes. In-situ TEM combined with high-temperature mechanical testing represents an important next step for refining hardening models by directly probing dislocation–obstacle interactions across varying irradiation doses and temperatures [9]. Because the barrier strength factor (α) depends on both temperature and obstacle size, it should not be treated as a constant fitting parameter; rather, it must be explicitly evaluated to achieve physically meaningful predictions of mechanical behaviour at operating temperatures. This presentation therefore discusses why all strengthening contributions (e.g., Peierls stress, solid-solution strengthening, voids, bubbles, dislocation loops, dislocation lines, and grain boundaries) must be considered collectively, why appropriate superposition methods are essential when obstacles possess different barrier strength factors, how hardness measurements can be meaningfully related to tensile properties, and how TEM-derived microstructural information can be systematically incorporated into hardening models. More broadly, it outlines a pathway toward microstructure-informed prediction of mechanical properties and supports the goal of establishing science-based tools for evaluating structural materials in extreme environments [10].

Lin, Yan-Ru [ORNL] (ORCID:0000000339991473)↗

NASA NTRS2006

Humanoid Mobile Manipulation Using Controller Refinement

An important class of mobile manipulation problems are move-to-grasp problems where a mobile robot must navigate to and pick up an object. One of the distinguishing features of this class of tasks is its coarse-to-fine structure. Near the beginning of the task, the robot can only sense the target object coarsely or indirectly and make gross motion toward the object. However, after the robot has located and approached the object, the robot must finely control its grasping contacts using precise visual and haptic feedback. This paper proposes that move-to-grasp problems are naturally solved by a sequence of controllers that iteratively refines what ultimately becomes the final solution. This paper introduces the notion of a refining sequence of controllers and characterizes this type of solution. The approach is demonstrated in a move-to-grasp task where Robonaut, the NASA/JSC dexterous humanoid, is mounted on a mobile base and navigates to and picks up a geological sample box. In a series of tests, it is shown that a refining sequence of controllers decreases variance in robot configuration relative to the sample box until a successful grasp has been achieved.

Platt, Robert↗

NASA NTRS1991

Studies of the charging of a thin dust layer in a plasma

The present study is designed to extend Wilson's model to include refinements in the actual operational design of the simulation code itself and to include additional physics in order to assess the resulting electric field structure and grain charges. Most of the initial phases of the work have focussed on the fact that the code, though in principle reliable, suffers from severe time constraints, requiring as must as 10-50 hours of CPU time for typical runs on a VAX computer. It is likely that by staging the code into steps in which early steps are carried out crudely and later steps successively fine tuned the total CPU time can be cut significantly. Preliminary results indicate the possibility to cut CPU time to as much as 1/3 or 1/5 the former time. The original Wilson code has been carefully examined, tested and documented. Shortcuts and staging systems have been introduced and tested which should make the code produce more accurate results with a finer grid system than would have been feasible heretofor. Continued testing and implementation of these refinements will be carried out at the author's home institution in the near future. In addition to the effort at reducing CPU time to a manageable amount, work is in progress to include a dust-size distribution instead of assuming all dust grains have the same size.

Peterson, Lennart R.↗

DOE OSTI2025

Probing the local structure of Bi 2 O 3 chemical derivatives: the neglected cation sublattice

High-resolution synchrotron X-ray diffraction data confirm the stabilization of the average structure at ambient temperatures as a defect fluorite structure in ternary and quaternary oxides of Bi 2 O 3 , where some Bi cations are replaced with Dy 3+ and/or Er 3+ , Nb 5+ and W 6+ . Rietveld refinement of the diffraction data indicates that when the larger cation Er 3+ (0.89 Å) is replaced with smaller cations W 6+ (0.42 Å) and/or Nb 5+ (0.48 Å), the unit-cell parameter a, based on the relative ionic radii of the substituents, counterintuitively increases. Total scattering data show that the identity of the cation substituent is important in determining the positions of some Bi cations in the defect fluorite structure. Er 3+ and Dy 3+ cations induce monoclinic-like distortions that extend only locally in the Bi 3+ sublattice. X-ray absorption spectroscopy provides evidence that some Dy cations, in the δ phases, prefer to keep a similar local environment to that in the parent Dy 2 O 3 . W cations are found to be predominantly tetrahedrally coordinated in the δ phases explored in this work.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

TPSAS-NF1676L-13579-DND

During aerospace vehicle conceptual and preliminary design, empirical non-optimum factors are typically applied to predicted structural component weights to account for undefined manufacturing and design details. Non-optimum factors are developed here for 32 aluminum-lithium 2195 orthogrid panels comprising the liquid hydrogen tank barrel of the Space Shuttle External Tank using measured panel weights and manufacturing drawings. Minimum values for skin thickness, axial and circumferential blade stiffener thickness and spacing, and overall panel thickness are used to estimate individual panel weights. Panel non-optimum factors computed using a coarse weights model range from 1.21 to 1.77, and a refined weights model (including weld lands and skin and stiffener transition details) yields non-optimum factors of between 1.02 and 1.54. Acreage panels have an average 1.24 non-optimum factor using the coarse model, and 1.03 with the refined version. Non-optimum factors are also calculated for the aluminum-alloy gores that compose the ogive and ellipsoidal bulkheads of the Space Shuttle Super-Lightweight Tank propellant tanks. Minimum values for actual gore skin thicknesses and weld land dimensions are extracted from component production drawings, and are used to predict reference gore weights. These actual skin thicknesses are also compared to skin thicknesses predicted using classical structural mechanics and tank proof-test pressures. Both coarse and refined weights models are developed for the gores. The coarse model is based on the proof-test skin thicknesses, and the refined model uses the actual skin thicknesses and weld land details. Both models include manufacturing tolerance weight estimates. To determine the gore non-optimum factors, these reference weights are then compared to flight hardware weights reported in a mass properties database. The gore non-optimum factors computed using the coarse weights model range from 1.18 to 2.36, with an average non-optimum factor of 1.68. Application of the refined weights model yields non-optimum factors between 1.00 and 1.45, with an average non-optimum factor of 1.13. To demonstrate their utility, these calculated non-optimum factors are then used to predict more realistic (i.e., heavier) gore weights for a proposed heavy-lift launch vehicle's propellant tank bulkheads.

K Chauncey Wu↗

NASA NTRS1993

An investigation of squeeze-cast alloy 718

Alloy 718 billets produced by the squeeze-cast process have been evaluated for use as potential replacements for propulsion engine components which are normally produced from forgings. Alloy 718 billets were produced using various processing conditions. Structural characterizations were performed on 'as-cast' billets. As-cast billets were then homogenized and solution treated and aged according to conventional heat-treatment practices for this alloy. Mechanical property evaluations were performed on heat-treated billets. As-cast macrostructures and microstructures varied with squeeze-cast processing parameters. Mechanical properties varied with squeeze-cast processing parameters and heat treatments. One billet exhibited a defect free, refined microstructure, with mechanical properties approaching those of wrought alloy 718 bar, confirming the feasibility of squeeze-casting alloy 718. However, further process optimization is required, and further structural and mechanical property improvements are expected with process optimization.

Gamwell, W. R.↗

NASA NTRS2006

Humanoid Mobile Manipulation Using Controller Refinement

An important class of mobile manipulation problems are move-to-grasp problems where a mobile robot must navigate to and pick up an object. One of the distinguishing features of this class of tasks is its coarse-to-fine structure. Near the beginning of the task, the robot can only sense the target object coarsely or indirectly and make gross motion toward the object. However, after the robot has located and approached the object, the robot must finely control its grasping contacts using precise visual and haptic feedback. In this paper, it is proposed that move-to-grasp problems are naturally solved by a sequence of controllers that iteratively refines what ultimately becomes the final solution. This paper introduces the notion of a refining sequence of controllers and characterizes this type of solution. The approach is demonstrated in a move-to-grasp task where Robonaut, the NASA/JSC dexterous humanoid, is mounted on a mobile base and navigates to and picks up a geological sample box. In a series of tests, it is shown that a refining sequence of controllers decreases variance in robot configuration relative to the sample box until a successful grasp has been achieved.

Platt, Robert↗

NASA NTRS2003

Load Diffusion in Composite and Smart Structures

The research carried out here builds on our previous NASA supported research on the general topic of edge effects and load diffusion in composite structures. Further fundamental solid mechanics studies were carried out to provide a basis for assessing the complicated modeling necessary for the multi-functional large scale structures used by NASA. An understanding of the fundamental mechanisms of load diffusion in composite subcomponents is essential in developing primary composite structures. Some specific problems recently considered were those of end effects in smart materials and structures, study of the stress response of pressurized linear piezoelectric cylinders for both static and steady rotating configurations, an analysis of the effect of pre-stressing and pre-polarization on the decay of end effects in piezoelectric solids and investigation of constitutive models for hardening rubber-like materials. Our goal in the study of load diffusion is the development of readily applicable results for the decay lengths in terms of non-dimensional material and geometric parameters. Analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and assessing results from finite element analyses. The decay behavior of stresses and other field quantities provides a significant aid towards this process. The analysis is also amenable to parameter study with a large parameter space and should be useful in structural tailoring studies. Special purpose analytical models of load diffusion behavior are extremely valuable in building an intuitive base for developing refined modeling strategies and in assessing results from general purpose finite element analyses. For example, a rational basis is needed in choosing where to use three-dimensional to two-dimensional transition finite elements in analyzing stiffened plates and shells. The decay behavior of stresses and other field quantities furnished by this research provides a significant aid towards this element transition issue. A priori knowledge of the extent of boundary-layers induced by edge effects is also useful in determination of the instrumentation location in structural verification tests or in material characterization tests.

Horgan, C. O.↗

DOE OSTI2025

Discovery and Characterization of a Metastable Cubic Interstitial Nickel–Carbon System with an Expanded Lattice

Metastable, i.e., kinetically favored but thermodynamically not stable, interstitial solid solutions of carbon in iron are well-understood. Carbon can occupy the interstitial atoms of the host metal, altering its properties. Alloying of the host metal results in the stabilization of the FeC x phases, widening its application. Pure nickel finds niche applications, mainly focusing on catalysis, while nickel alloys are widely applied, e.g., in gas turbines, reactors, and seawater piping. Nickel carbide (Ni 3 C) is the well-known stable Ni–C system displaying a rhombohedral (R3̅c) crystal structure. Some reports describe an elusive cubic Ni–C system, observed during certain catalytic reactions occurring on nickel and formed by the occupation of the interstitials of the metal with carbon: to date, the stabilization and characterization of this phase have not been accomplished. Hereby, we report on the synthesis of a cubic metastable NiC x phase using chemical vapor deposition of methane on supported nickel nanoparticles. The structure was predicted by DFT/ReaxFF, synthesized and monitored with in situ time-resolved synchrotron XRD, and experimentally confirmed by Rietveld refinement and (S)TEM-EELS under ambient conditions. The results show an Fm3̅m phase with a lattice parameter of a = 3.749 ± 0.037 Å at room temperature, with the highest ever reported atomic percentage of carbon occupying the octahedral interstices of 23.1%, resulting in a NiC 0.3 phase. The degree of occupation of the interstitial voids by carbon can be controlled, enabling the tuning of the host metal’s d-spacing and composition, highlighting the applicability of this synthesis route for catalytic nanoparticle preparation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Micromechanical Surrogate Machine Learning Model for Creep Deformation Modeling

Process variability during the manufacture of gas turbine engine hot section components can significantly affect the material’s resulting microstructure. In casting, for instance, geometric variation within a component (thin sections versus thick sections, radial location) influences cooling rates and the resulting grain size. The high temperature creep response is known to be sensitive to grain size owing to a diffusional creep mechanism which occurs more readily along grain boundaries. Microstructural variation correspondingly drives mechanical behavior which propagates into component scale performance uncertainty. These factors are essential when planning inspection, maintenance, and repair strategies within a reliability framework. These benefits provide opportunities to increase overall energy efficiency through refined margins. Critically, there is an opportunity to bolster existing data-driven reliability models using physics-driven process-structure-property relations. Here we present recent work establishing a framework for evaluating the probabilistic creep performance of high-temperature materials. A novel microstructure-sensitive crystal plasticity finite element model is established that captures both grain boundary and crystallographic deformation effects. The computationally expensive physics model is calibrated using a statistical approach and this high-fidelity model is subsequently used to train a computationally efficient machine learning surrogate model. The surrogate model is essential for sampling a large ensemble of simulated structure-property pair results. The ensemble data are then mined to extract salient trends to be incorporated into a microstructure-sensitive reliability model. The proposed approach represents a novel way to capture microstructure-sensitive trends from physics-based models within a modern reliability framework.

Fernandez-Zelaia, Patxi [ORNL]↗

DOE OSTI2025

WFIP3

The Wind Forecasting Improvement Project 3 (WFIP-3) is the first offshore-based wind resource characterization project within the WFIP construct, funded by the U.S. Department of Energy. WFIP-3 will provide a unique field study that will deliver the comprehensive suite of data needed to inform a series of modeling efforts that will develop and evaluate parameterization schemes suited to offshore environments and improved industry-targeted applications. The field study has two goals: (1) detailed sampling of the vertical structure of the Marine Atmospheric Boundary Layer (MABL) at key observational areas, creating a rich dataset that will be used to refine and validate parameterization schemes, and (2) wide-area sampling of the MABL to create a multi-scale array of observations informing and guiding models of resource characterization. We will deploy a multi-platform array of measurements that span the MABL and create a multi-scale observational array stretching south from Marth’s Vineyard across the wind energy areas.

17 WIND ENERGY↗

NASA NTRS1983

Stochastic self-propagating star formation in three-dimensional disk galaxy simulations

The behavior of stochastic self-propagating star formation (SSPSF) in three dimensions is examined in simulation for the first time, emphasizing the effect of the added dimension on the sensitivity of spiral structure to the probability of star formation. The model produces global equilibrium spiral structure over a much more restricted range of star formation probabilities and relaxation times than in two dimensions. Spiral structure also occurs as a transient phenomenon in the runs which eventually fill or evolve to structured nonspiral states. The equilibrium spirals are not as distinctive as those produced by two-dimensional models. However, there are refinements which may modify these results, such as allowing for the depletion of gas in the interstellar medium due to conversion to long-lived low mass stars.

Statler, T.↗

NASA NTRS1989

Computational procedures for postbuckling of composite shells

A recently developed finite-element capability for general nonlinear shell analysis, featuring the use of three-dimensional constitutive equations within an efficient resultant-oriented framework, is employed to simulate the postbuckling response of an axially compressed composite cylindrical panel with a circular cutout. The problem is a generic example of modern composite aircraft components for which postbuckling strength (i.e., fail-safety) is desired in the presence of local discontinuities such as holes and cracked stiffeners. While the computational software does a reasonable job of predicting both the buckling load and the qualitative aspects of postbuckling (compared both with experiment and another code) there are some discrepancies due to: (1) uncertainties in the nominal layer material properties, (2) structural sensitivity to initial imperfections, and (3) the neglect of dynamic and local material delamination effects in the numerical model. Corresponding refinements are suggested for the realistic continuation of this type of analysis.

Stanley, G. M.↗

NASA NTRS1988

Rapid solidification of Nb-base alloys

New Nb-base alloys are of interest for aerospace structural applications at high temperatures, viz, 800 to 1650 C. Fundamental information regarding the effects of rapid solidification in achieving greatly refined microstructures, extended solid solubility, suppression of embrittling equilibrium phases, and formation of new phases is desired in a number of Nb-X alloys. The microstructures and selected properties of Nb-Si and other Nb-base alloys are presented for materials both rapidly quenched from the equilibrium liquidus and rapidly solidified following deep supercooling. Electromagnetic levitation was used to achieve melting and supercooling in a containerless inert gas environment. A variety of solidification conditions were employed including splatting or drop casting of supercooled samples. The morphology and composition of phases formed are discussed in terms of both solidification history and bulk composition.

Gokhale, A. B.↗