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NASA NTRS2010

Origin of Magnetite Crystals in Martian Meteorite ALH84001 Carbonate Disks

Martian meteorite ALH84001 preserves evidence of interaction with aqueous fluids while on Mars in the form of microscopic carbonate disks which are believed to have precipitated approx.3.9 Ga ago at beginning of the Noachian epoch. Intimately associated within and throughout these carbonate disks are nanocrystal magnetites (Fe3O4) with unusual chemical and physical properties, whose origins have become the source of considerable debate. One group of hypotheses argues that these Fe3O4 are the product of partial thermal decomposition of the host carbonate. Alternatively, the origins of Fe3O4 and carbonate may be unrelated; that is, from the perspective of the carbonate the magnetite is allochthonous. We have sought to resolve between these hypotheses through the detailed characterized of the compositional and structural relationships of the carbonate disks and associated magnetites with the orthopyroxene matrix in which they are embedded [1]. We focus this discussion on the composition of ALH84001 magnetites and then compare these observations with those from our thermal decomposition studies of sideritic carbonates under a range of plausible geological heating scenarios.

Thomas-Keprta, K.L.↗

DOE OSTI2025

Mitigating Cyclable Li‐Ion Inventory Loss in Full Cells with Mn‐Rich Disordered Rocksalt Cathodes

Lithium (Li)- and manganese (Mn)-rich disordered rock salt (DRX) materials are promising cathode materials for next-generation Li-ion batteries. Although these cathode materials are Li-ions rich in their pristine state, their incorporation into full cells results in challenges with maintaining Li-ion inventory during cycling. Herein, the degradation mechanisms of DRX materials in different DRX||Graphite full cells are reported. It is found that DRX electrodes contain Li impurities, primarily due to the environmental sensitivity of mechanochemically synthesized DRX materials during sample transfer and storage. In addition, the structural instability of DRX triggers Mn dissolution. Dissolved Mn ions react with exposed Li x C y compounds and induce electrolyte decomposition on the anode, further depleting Li-ion inventory. Control experiments involving the pre-addition of Mn 2+ provide clear evidence of the impact of Mn dissolution on Li-ion inventory. The electrochemical activation process can stabilize DRX, alleviate Mn dissolution and thus mitigate the loss of Li-ion inventory. These mechanistic insights inform the development of chemical pre-lithiation and electrolyte additive strategies to collectively passivate interfaces, mitigate the effects of trace dissolved Mn ions, and preserve Li-ion inventory. Ultimately, the DRX||Graphite full cell achieves highly reversible electrochemical reactions with a high capacity retention. This study fills a research gap in DRX-based full cells and provides insights into degradation mechanisms and optimization strategies for their practical use.

36 MATERIALS SCIENCE↗

NASA NTRS1989

A distributed finite-element modeling and control approach for large flexible structures

An unconventional framework is described for the design of decentralized controllers for large flexible structures. In contrast to conventional control system design practice which begins with a model of the open loop plant, the controlled plant is assembled from controlled components in which the modeling phase and the control design phase are integrated at the component level. The developed framework is called controlled component synthesis (CCS) to reflect that it is motivated by the well developed Component Mode Synthesis (CMS) methods which were demonstrated to be effective for solving large complex structural analysis problems for almost three decades. The design philosophy behind CCS is also closely related to that of the subsystem decomposition approach in decentralized control.

Young, K. D.↗

NASA NTRS1993

Program Helps Decompose Complicated Design Problems

Time saved by intelligent decomposition into smaller, interrelated problems. DeMAID is knowledge-based software system for ordering sequence of modules and identifying possible multilevel structure for design problem. Displays modules in N x N matrix format. Requires investment of time to generate and refine list of modules for input, it saves considerable amount of money and time in total design process, particularly new design problems in which ordering of modules has not been defined. Program also implemented to examine assembly-line process or ordering of tasks and milestones.

Rogers, James L., Jr.↗

DOE OSTI2026

Manganese Oxidation during Vegetation Burning

Redox recycling of manganese (Mn) plays a key role in organic matter decomposition and nutrient cycling in terrestrial vegetated ecosystems, and it is expected to be changed by fires. This study revealed how Mn is oxidized during vegetation burning, by characterizing the chemical speciation of Mn in fire ash from wildland fires and laboratory burning and evaluating the factors governing its average oxidation state (AOS) and speciation. Manganese in wildland fire ash from different ecosystems showed variable AOS that ranges from 2.5 to 3.3. Laboratory burning experiments showed that Mn oxidation was primarily controlled by fire thermal intensity (temperature × duration) and burning completeness. As heating time increased from 5 min to 5 h at 550 and 700 °C, Mn AOS in the lab-burned vegetation ash increased from 2.7 to 4.0 and the oxidation rate was faster at higher temperature. Diverse Mn species can present in wildland fire ash and differ structurally from biogenic Mn oxides. The oxidized Mn species enable fire ash to mediate oxidative degradation of catechol, demonstrating its potential in mediating organic matter decomposition. This study revealed a new paradigm of Mn redox recycling, as compared to the microbe-mediated Mn redox cycling in the absence of fires.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Dynamic Transmission Line Switching Amid Wildfire-Prone Weather Under Decision-Dependent Uncertainty

During dry and windy seasons, environmental conditions significantly increase the risk of wildfires, exposing power grids to disruptions caused by transmission line failures. Wildfire propagation exacerbates grid vulnerability, potentially leading to prolonged power outages. To address this challenge, we propose a multistage optimization model that dynamically adjusts transmission grid topology in response to wildfire propagation, aiming to develop an optimal response policy. By accounting for decision-dependent uncertainty, where line survival probabilities depend on usage, we employ distributionally robust optimization to model uncertainty in line survival distributions. We adapt the stochastic nested decomposition algorithm and derive a deterministic upper bound for its finite convergence. To enhance computational efficiency, we exploit the Lagrangian dual problem structure for a faster generation of Lagrangian cuts. Using realistic data from the California transmission grid, we demonstrate the superior performance of dynamic response policies against two-stage alternatives through a comprehensive case study. In addition, after solving the multistage formulation, we construct easy-to-implement policies that significantly reduce computational burden while maintaining good performance in real-time deployment. History: Accepted by Russell Bent, Area Editor for Network Optimization: Algorithms and Applications. Funding: This work was supported by the U.S. Department of Energy, Office of Electricity [Grant DE-AC02-05CH11231]. The work of R. Jiang was supported in part by the U.S. National Science Foundation, Division of Electrical, Communications and Cyber Systems [Grant ECCS-1845980] and the U.S. Air Force Office of Scientific Research [Grant FA9550-23-1-0323]. Supplemental Material: The software that supports the findings of this study is available within the paper and its Supplemental Information ( https://pubsonline.informs.org/doi/suppl/10.1287/ijoc.2025.1210 ) as well as from the IJOC GitHub software repository ( https://github.com/INFORMSJoC/2025.1210 ). The complete IJOC Software and Data Repository is available at https://informsjoc.github.io/ .

Estrada-Garcia, Juan-Alberto↗

NASA NTRS1984

Laser-assisted solar cell metallization processing

Laser-assisted processing techniques utilized to produce the fine line, thin metal grid structures that are required to fabricate high efficiency solar cells are examined. Two basic techniques for metal deposition are investigated; (1) photochemical decomposition of liquid or gas phase organometallic compounds utilizing either a focused, CW ultraviolet laser (System 1) or a mask and ultraviolet flood illumination, such as that provided by a repetitively pulsed, defocused excimer laser (System 2), for pattern definition, and (2) thermal deposition of metals from organometallic solutions or vapors utilizing a focused, CW laser beam as a local heat source to draw the metallization pattern.

Dutta, S.↗

NASA NTRS1983

Direct and implicit optical matrix-vector algorithms

New direct and implicit algorithms for optical matrix-vector and systolic array processors are considered. Direct rather than indirect algorithms to solve linear systems and implicit rather than explicit solutions to solve second-order partial differential equations are discussed. In many cases, such approaches more properly utilize the advantageous features of optical systolic array processors. The matrix-decomposition operation (rather than solution of the simplified matrix-vector equation that results) is recognized as the computationally burdensome aspect of such problems that should be computed on an optical system. The Householder QR matrix-decomposition algorithm is considered as a specific example of a direct solution. Extensions to eigenvalue computation and formation of matrices of special structure are also noted.

Casasent, D.↗

NASA NTRS1992

Application of multipoint measurements for flow characterization

Some of the possibilities for inferring the structure of complicated flows from simultaneous measurements at many points are reviewed. Conditional sampling, pseudoflow visualization, stochastic estimation, and the proper orthogonal decomposition are briefly reviewed and illustrated by example. Resolution criteria for multipoint spatial arrays are proposed that minimize the possibilities for misinterpreting the data.

Glauser, Mark N.↗

NASA NTRS1992

Neural networks in structural analysis and design - An overview

The present paper provides an overview of the state-of-the-art in the application of neural networks in problems of structural analysis and design, including a survey of published applications in structural engineering. Such applications have included, among others, the use of neural networks in modeling nonlinear analysis of structures, as a rapid reanalysis capability in optimal design, and in developing problem parameter sensitivity of optimal solutions for use in multilevel decomposition based design. While most of the applications reported in the literature have been restricted to the use of the multilayer perceptron architecture and minor variations thereof, other network architectures have also been successfully explored, including the ART network, the counterpropagation network and the Hopfield-Tank model.

Hajela, P.↗

NASA NTRS2009

Towards Behavioral Reflexion Models

Software architecture has become essential in the struggle to manage today s increasingly large and complex systems. Software architecture views are created to capture important system characteristics on an abstract and, thus, comprehensible level. As the system is implemented and later maintained, it often deviates from the original design specification. Such deviations can have implication for the quality of the system, such as reliability, security, and maintainability. Software architecture compliance checking approaches, such as the reflexion model technique, have been proposed to address this issue by comparing the implementation to a model of the systems architecture design. However, architecture compliance checking approaches focus solely on structural characteristics and ignore behavioral conformance. This is especially an issue in Systems-of- Systems. Systems-of-Systems (SoS) are decompositions of large systems, into smaller systems for the sake of flexibility. Deviations of the implementation to its behavioral design often reduce the reliability of the entire SoS. An approach is needed that supports the reasoning about behavioral conformance on architecture level. In order to address this issue, we have developed an approach for comparing the implementation of a SoS to an architecture model of its behavioral design. The approach follows the idea of reflexion models and adopts it to support the compliance checking of behaviors. In this paper, we focus on sequencing properties as they play an important role in many SoS. Sequencing deviations potentially have a severe impact on the SoS correctness and qualities. The desired behavioral specification is defined in UML sequence diagram notation and behaviors are extracted from the SoS implementation. The behaviors are then mapped to the model of the desired behavior and the two are compared. Finally, a reflexion model is constructed that shows the deviations between behavioral design and implementation. This paper discusses the approach and shows how it can be applied to investigate reliability issues in SoS.

Ackermann, Christopher↗

NASA NTRSDate not supplied

Stability Analysis of the Flow Over a Swept Forward-Facing Step Using PIV Base Flows

Step excrescences are a type of surface imperfection encountered on swept wings of commercial aircraft, commonly because accessibility requirements prevent creating the wing’s surface from a single panel. If the step height is too large, super-critical, the flow can undergo an early transition to turbulence, which can be highly detrimental for the performance of the wing. In the case of a forward-facing step on a swept wing in a low-disturbance environment, stationary crossflow vortices can develop a significant amplitude upstream of the step and hence dominate the structure of the boundary-layer flow over the step. The main goal of the present investigation is to illuminate the path to transition supported by the fascinatingly complex flow field in the direct downstream vicinity of a step with a super critical height. The high-resolution, stereographic Particle Image Velocimetry (PIV) measurement dataset presently available for this flow field provides a complete description of the laminar flow for the execution of BiGlobal stability analysis in a plane parallel to the step. Although the notorious sensitivity of stability results to the description of the base flow demands a very careful uncertainty analysis of those results, it is argued that this very fact can be leveraged to produce new insight into the supported perturbation dynamics. In performing the analysis, several unsteady mode families are discovered that display the explosive perturbation expected for early transition to be induced. In considering domain widths equal to an integer-multiple of the incident crossflow-vortex wavelength and analyzing an extent of 5 crossflow-vortex wavelengths parallel to the step, it is found that the stability results converge while increasing the domain width. It is demonstrated, moreover, that the results for the wider domains can be approximated by appropriately averaging the results on neighboring single-crossflow-vortex-wavelength domains covering the same region. Besides being useful for computational purposes, this observed property suggests interpreting the instability mechanism as a distorted primary mechanism rather than a “proper” secondary mechanism. This follows in the context of the secondary in-stability analysis of three-dimensional boundary layers, because the secondary mechanism is usually characterized by being localized in a pocket of strong shear, while the distorted primary mechanism typically has an infinite support in the direction parallel to the step. Even though the growth rates are found to be sensitive to the interrogation-window size inherent to the PIV post-processing procedure, the spatial structure of the eigenfunctions is found to be relatively insensitive. Lastly, the spatial structure of the eigenfunctions corresponding to all velocity components are matched with the shape functions determined by computing the Spectral Proper Orthogonal Decomposition (SPOD) of a time-resolved measurement of the perturbation content.

forward-facing step↗

NASA NTRS1986

On realizations of least-squares estimation and Kalman filtering by systolic arrays

Least-squares (LS) estimation is a basic operation in many signal processing problems. Given y = Ax + v, where A is a m x n coefficient matrix, y is a m x 1 observation vector, and v is a m x 1 zero mean white noise vector, a simple least-squares solution is finding the estimated vector x which minimizes the norm of /Ax-y/. It is well known that for an ill-conditioned matrix A, solving least-squares problems by orthogonal triangular (QR) decomposition and back substitution has robust numerical properties under finite word length effect since 2-norm is preserved. Many fast algorithms have been proposed and applied to systolic arrays. Gentleman-Kung (1981) first presented the trianglular systolic array for a basic Givens reduction. McWhirter (1983) used this array structure to find the least-squares estimation errors. Then by geometric approach, several different systolic array realizations of the recursive least-squares estimation algorithms of Lee et al (1981) were derived by Kalson-Yao (1985). Basic QR decomposition algorithms are considered in this paper and it is found that under a one-row time updating situation, the Householder transformation degenerates to a simple Givens reduction. Next, an improved least-squares estimation algorithm is derived by considering a modified version of fast Givens reduction. From this approach, the basic relationship between Givens reduction and Modified-Gram-Schmidt transformation can easily be understood. This improved algorithm also has simpler computational and inter-cell connection complexities while compared with other known least-squares algorithms and is more realistic for systolic array implementation.

Chen, M. J.↗

NASA NTRS1989

Efficient eigenvalue assignment for large space structures

A novel and efficient approach for the eigenvalue assignment of large first-order time-invariant systems is developed using full-state feedback and output feedback. First, a Schur decomposition is applied to triangularize the state matrix. Second, a series of coordinate rotations (Givens rotations) are used to move the eigenvalue to be reassigned to the end of the diagonal of its Schur form. Third, the eigenvalue is moved to the desired location by a full-state feedback, without affecting the remaining eigenvalues. The second and third step can be repeated until all the assignable eigenvalues are moved to the desired locations. Given the freedom of multiple inputs, the feedback gain matrix is calculated to minimize an objective function composed of a gain matrix norm and/or a robustness index of the closed-loop system. Numerical examples are given to demonstrate the feasibility of the proposed approach.

Maghami, Peiman G.↗

NASA NTRSDate not supplied

Fluid-Thermal-Structural Interactions Induced by an Asymmetric Shock-Wave/Boundary-Layer Interaction in a Mach-6 Compression Corner

An experimental study is conducted of the fluid-thermal-structural interaction of a clamped compliant panel exposed to a three dimensional shock-wave/boundary-layer interaction (SWBLI) induced by a Mach-6 compression ramp with a spanwise nonuniform incoming boundary layer. The nonuniform boundary layer was produced by placing trips on one side of the upstream flat plate, resulting in largely turbulent flow on the tripped side and transitional flow on the untripped side. Measurements of the flowfield confirmed that the tripped boundary layer contained elevated levels of unsteadiness, and the SWBLI was observed to vary from attached to fully separated as the ramp angle was increased from 10◦ to 38◦; the separation region on the tripped side of the panel was noticeably smaller, showing the elevated turbulence levels of the tripped-side flow to remain relatively localized rather than diffusing across the whole model. Full-field, time-resolved panel deformations were measured using high-speed photogrammetry and the vibrational response at each compression angle was characterized. Although the measured modes conformed largely to those from classical clamped-plate theory, some skewing of the mode shapes was observed. IR thermography highlighted regions of the compliant region where elevated temperatures were likely to promote thermal softening effects to the transient panel response. The quasi-static deformation and stress field was used to characterize the internal stress factor of each mode and showed a meaningful relationship between transient panel response and stress contained within each mode: modes with antinodes lying in high-stress areas of the plate tended to exhibit increases in vibrational frequency and decreases in vibrational power, whereas the opposite was true for modes with antinodes in low-stress areas.

Spectral Proper Orthogonal Decomposition↗

DOE OSTI2024

Using ethanol and isopropanol as biomass model compounds for understanding bond scission mechanisms over Cu/Mo 2 N catalysts

The conversion of biomass compounds into fuels and chemicals is an important step towards a more sustainable future. This work combines results from model surfaces and powder catalysts to demonstrate Cu-modified mo- lybdenum nitride (Cu/Mo 2 N) as a selective catalyst for dehydrogenation of the biomass model compounds, ethanol and isopropanol. Results from model surfaces showed that while Mo2N led to unselective decomposition via both dehydrogenation and dehydration, the addition of Cu increased the dehydrogenation activity and selectivity. DFT calculations showed how Cu influenced the structures of active sites, adsorbate interactions, and thus the product selectivity. Batch reactor studies on corresponding powder catalysts confirmed the trend that Cu modification increased dehydrogenation activity, and in situ X-ray absorption spectroscopy elucidated the Cu oxidation state under reaction conditions. Further, this work demonstrates a strategy for promoting dehydrogenation over Mo 2 N-based catalysts, as well as the feasibility of using model surfaces to guide the design of industrially relevant catalysts.

09 BIOMASS FUELS↗

DOE OSTI2026

A Decomposition-Based Learn-To-Optimize Approach with Feasibility Layer Assistance for Sub-Hourly Unit Commitment

Sub-hourly unit commitment (UC) with 15-min intervals is gaining significant attention as a way to respond rapidly to the fluctuations in electricity supply and demand introduced by renewable resources. However, the increased temporal resolution and complex inter-temporal dependencies pose substantial computational challenges for traditional optimization methods. To this end, this paper explores a decomposition-based learn-to-optimize approach. Building on recent advances in machine learning, our method revisits the long- overlooked Lagrangian relaxation framework, which is a classical decomposition technique that enables tractable subproblem solving. These smaller subproblems are inherently well-suited for machine learning, as their reduced dimensionality and structural regularity allow predictive models to efficiently learn and generalize solution patterns. We thus propose a generic predictive model, which embeds Gated Recurrent Units (GRUs) and Attention in the encoder-decoder structure, and integrate a rule-based feasibility layer to capture temporal dependencies, reduce training effort, and improve feasibility w.r.t. unit-level constraints. Our method has been validated on the IEEE 118-bus system, demonstrating promising performance in solving sub-hourly UC problems efficiently and feasibly.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Metal oxide candidates for thermochemical water splitting obtained with a generative diffusion model

Generative diffusion models (DMs) for inorganic crystalline materials are being actively investigated for their potential to expand the chemical and structural design spaces for known functional materials. Generative candidates are particularly useful for applications where few functional, let alone commercially viable, materials currently exist, such as metal oxides for thermochemical water-splitting, which have strict requirements for defect thermodynamics and host stability. Here, we critically examine generated metal oxides from the M ATTER G EN DM conditioned on select chemical systems for thermochemical water splitting applications. Perhaps most notably, we find that M ATTER G EN predicts a novel, thermodynamically stable, quinary metal oxide, Ba 2 SrInFeO 6 , although this compound represents an ordered and layered substitution within the same A 3 B 2 O 6 structural prototype as its two ternary end members. Detailed density functional theory calculations and spin configuration sampling for this material and its possible decomposition products—beyond what existed in M ATTER G EN training data—are required to quantitatively validate hull energy predictions and conclusions of stability. Furthermore, the material exhibits oxygen defect formation energies appropriate for thermochemical water splitting, warranting targeted investigation in an experimental validation campaign, along with other future M ATTER G EN candidates in this application space.

36 MATERIALS SCIENCE↗