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NASA NTRS2004

Design and Experimental Verification of Deployable/Inflatable Ultra-Lightweight Structures

Because launch cost of a space structural system is often proportional to the launch volume and mass and there is no significant gravity in space, NASA's space exploration programs and various science missions have stimulated extensive use of ultra-lightweight deployable/inflatable structures. These structures are named here as Highly Flexible Structures (HFSs) because they are designed to undergo large displacements, rotations, and/or buckling without plastic deformation under normal operation conditions. Except recent applications to space structural systems, HFSs have been used in many mechanical systems, civil structures, aerospace vehicles, home appliances, and medical devices to satisfy space limitations, provide special mechanisms, and/or reduce structural weight. The extensive use of HFSs in today's structural engineering reveals the need of a design and analysis software and a database system with design guidelines for practicing engineers to perform computer-aided design and rapid prototyping of HFSs. Also to prepare engineering students for future structural engineering requires a new and easy-to- understand method of presenting the complex mathematics of the modeling and analysis of HFSs. However, because of the high flexibility of HFSs, many unique challenging problems in the modeling, design and analysis of HFSs need to be studied. The current state of research on HFSs needs advances in the following areas: (1) modeling of large rotations using appropriate strain measures, (2) modeling of cross-section warpings of structures, (3) how to account for both large rotations and cross- section warpings in 2D (two-dimensional) and 1D structural theories, (4) modeling of thickness thinning of membranes due to inflation pressure, pretension, and temperature change, (5) prediction of inflated shapes and wrinkles of inflatable structures, (6) development of efficient numerical methods for nonlinear static and dynamic analyses, and (7) filling the gap between geometrically exact elastic analysis and elastoplastic analysis. The objectives of this research project were: (1) to study the modeling, design, and analysis of deployable/inflatable ultra-lightweight structures, (2) to perform numerical and experimental studies on the static and dynamic characteristics and deployability of HFSs, (3) to derive guidelines for designing HFSs, (4) to develop a MATLAB toolbox for the design, analysis, and dynamic animation of HFSs, and (5) to perform experiments and establish an adequate database of post-buckling characteristics of HFSs.

Pai, P. Frank↗

DOE OSTI2020

Experimental determination of electron attenuation lengths in complex materials by means of epitaxial film growth: advantages and challenges

Accurate electron attenuation lengths are of critical importance in using electron spectroscopic methods to quantitatively characterize complex materials. Here we show that analysis of core-level and valence-band x-ray photoelectron spectra excited with monochromatic AlK? x-rays from the substrate and measured as a function of film thickness can be used to determine electron attenuation lengths in epitaxial SrTiO3 films on Ge(001). Closely lattice-matched epitaxial heterojunctions are ideal systems for determining attenuation lengths provided the films grow in a layer-by-layer fashion, leading to atomically flat surfaces, and the buried interfaces are atomically abrupt. In principle, either the rate of attenuation of substrate peak intensities or the rate of increase of film peak intensities can be used for this purpose. However, we find that structural nonuniformities in the films reduce the accuracy of electron attenuation lengths determined from photoelectrons that originate within the films. A more reliable source of information is found in photoelectrons from the substrate which traverse the film. By using the energy dependence of calculated electron attenuation lengths from the NIST database in combination with Ge 3d core and Ge-derived valence band intensities, we determine electron attenuation length as a function of kinetic energy for SrTiO3.

Chambers, Scott A.↗

NASA NTRS1974

Radiation and scattering by thin-wire structures in the complex frequency domain

Piecewise-sinusoidal expansion functions and Galerkin's method are employed to formulate a solution for an arbitrary thin-wire configuration in a homogeneous conducting medium. The analysis is performed in the real or complex frequency domain. In antenna problems, the solution determines the current distribution, impedance, radiation efficiency, gain and far-field patterns. In scattering problems, the solution determines the absorption cross section, scattering cross section and the polarization scattering matrix. The electromagnetic theory is presented for thin wires and the forward-scattering theorem is developed for an arbitrary target in a homogeneous conducting medium.

Richmond, J. H.↗

NASA NTRS1993

Depth-diameter ratios for Martian impact craters: Implications for target properties and episodes of degradation

This study determines crater depth through use of photoclinometric profiles. Random checks of the photoclinometric results are performed using shadow estimation techniques. The images are Viking Orbiter digital format frames; in cases where the digital image is unusable for photoclinometric analysis, shadow estimation is used to determine crater depths. The two techniques provide depth results within 2 percent of each other. Crater diameters are obtained from the photoclinometric profiles and checked against the diameters measured from the hard-copy images using a digitizer. All images used in this analysis are of approximately 40 m/pixel resolution. The sites that have been analyzed to date include areas within Arabia, Maja Valles, Memnonia, Acidalia, and Elysium. Only results for simple craters (craters less than 5 km in diameter) are discussed here because of the low numbers of complex craters presently measured in the analysis. General results indicate that impact craters are deeper than average. A single d/D relationship for fresh impact craters on Mars does not exist due to changes in target properties across the planet's surface. Within regions where target properties are approximately constant, however, d/D ratios for fresh craters can be determined. In these regions, the d/D ratios of nonpristine craters can be compared with the fresh crater d/D relationship to obtain information on relative degrees of crater degradation. This technique reveals that regional episodes of enhanced degradation have occurred. However, the lack of statistically reliable size-frequency distribution data prevents comparison of the relative ages of these events between different regions, and thus determination of a large-scale episode (or perhaps several episodes) cannot be made at this time.

Barlow, N. G.↗

NASA NTRS1989

Computing Stress, Stability, And Vibration Of Shells

BOSOR4 computer program developed as comprehensive program for analysis of stress, stability, and vibration of complex, branched shells of revolution made of elastic materials. Used to analyze prismatic shells and panels. Performs large-deflection axisymmetric stress analysis, small-deflection nonsymmetric stress analysis, modal vibration analysis with axisymmetric nonlinear prestress included, and buckling analysis with axisymmetric or nonsymmetric prestress. One main advantage, provisions for such realistic engineering details as eccentric load paths, internal supports, arbitrary branching conditions, and "library" of wall constructions. Based on finite-difference energy method and offers very rapid convergence with increasing numbers of mesh points. Written in FORTRAN 77.

Bushnell, David↗

DOE OSTI2026

Advancing Concentrating Solar Thermal Modeling Using System Advisor Model (SAM)

Concentrating solar thermal (CST) technologies play a critical role in enabling dispatchable power and high-temperature industrial heat applications. Accurate and flexible modeling tools are essential for evaluating system performance, guiding technology research and development, and informing investment decisions. The National Laboratory of the Rockies's System Advisor Model (SAM) is a widely used techno-economic simulation platform for CST systems, providing detailed performance and financial modeling capabilities for multiple CST system configurations. SAM integrates physics-based performance models with financial analysis to simulate the behavior of complex energy systems under realistic operating conditions. For CST technologies (including tower, parabolic trough, and linear Fresnel), SAM enables hourly simulations using site-specific weather data that ensure feasible operating conditions and convergence of mass and energy between core system components (i.e., solar field, receiver, thermal energy storage, and power cycle). These capabilities allow researchers and developers to evaluate annual energy production, capacity factors, levelized cost of energy (LCOE), and system dispatch strategies. A key advantage of SAM lies in its flexibility for parametric analysis and large-scale computational studies. Users can vary system design parameters such as heliostat field layout, receiver dimensions, thermal energy storage capacity, power block sizing, and installation cost assumptions to investigate their impact on system performance and financial metrics. When combined with automated scripting through LK, SDKTool, or Python interfaces, SAM enables high-throughput simulation workflows that support sensitivity analysis, technology benchmarking, and optimization studies. These approaches are particularly valuable for next-generation CST concepts, where design spaces are large and system interactions are complex. Another important capability of SAM is its support for dispatch optimization and thermal energy storage modeling, which are central to the value proposition of CST technologies. The ability to simulate integrated storage and flexible power generation allows researchers to explore strategies that maximize grid value, improve capacity utilization, and enhance integration with variable resources such as photovoltaic and wind generation. This poster will present an overview of SAM's thermal system modeling capabilities including concentrating solar. Additionally, we will highlight new feature developments including: 1) implementing Google's OR-Tools optimization platform for faster and more robust dispatch optimization, 2) developing a new power load following controller for modeling behind-the-meter applications, 3) enabling direct modeling of CSP-PV hybrid systems with the inclusion of battery storage, and 4) developing a multi-receiver falling particle Gen3 system model.

14 SOLAR ENERGY↗

DOE OSTI2019

Hexanuclear and Heptanuclear Nickel(II) Complexes of with a Non-Schiff-Base Tetradentate Ligand: an Example of Slow Motion Ferromagnetic Phase Transition at Very Low Temperature

Hexanuclear and heptanuclear nickel(II) complexes with N,N′-bis(2-hydroxy-3,5-dimethylbenzyl-1,2-ethanediamine (H{sub 2}hdde), [Ni{sub 6}(hdde){sub 3}(OH){sub 4}(NO{sub 3}){sub 2}(H{sub 2}O){sub 2}]·2dmf (dmf = N,N-dimethylformamide) and [Ni{sub 7}(hdde){sub 3}(OH){sub 6}(dmac){sub 3}](ClO{sub 4}){sub 2} (dmac = N,N-dimethylacetamide), were investigated. The latter complex was newly synthesized and the single-crystal X-ray structure analysis revealed a wheel-shaped heptanuclear cluster. These complexes showed a ferromagnetic interaction in the temperature dependence of magnetic susceptibilities. The micro-SQUID data of the former complex did not show SMM property, whereas the AC susceptibility measurements suggested SMM-like behavior and the zero-field-cooled and field-cooled studies showed a ferromagnetic transition near 240 mK for the latter complex.

36 MATERIALS SCIENCE↗

NASA NTRS2015

Finite Element Modeling Techniques for Analysis of VIIP

eye (anatomy)↗

NASA NTRS2016

Probabilistic Modeling Of Ocular Biomechanics In VIIP: Risk Stratification

Visual Impairment and Intracranial Pressure (VIIP) syndrome is a major health concern for long-duration space missions. Currently, it is thought that a cephalad fluid shift in microgravity causes elevated intracranial pressure (ICP) that is transmitted along the optic nerve sheath (ONS). We hypothesize that this in turn leads to alteration and remodeling of connective tissue in the posterior eye which impacts vision. Finite element (FE) analysis is a powerful tool for examining the effects of mechanical loads in complex geometries. Our goal is to build a FE analysis framework to understand the response of the lamina cribrosa and optic nerve head to elevations in ICP in VIIP. To simulate the effects of different pressures on tissues in the posterior eye, we developed a geometric model of the posterior eye and optic nerve sheath and used a Latin hypercubepartial rank correlation coef-ficient (LHSPRCC) approach to assess the influence of uncertainty in our input parameters (i.e. pressures and material properties) on the peak strains within the retina, lamina cribrosa and optic nerve. The LHSPRCC approach was repeated for three relevant ICP ranges, corresponding to upright and supine posture on earth, and microgravity [1]. At each ICP condition we used intraocular pressure (IOP) and mean arterial pressure (MAP) measurements of in-flight astronauts provided by Lifetime Surveillance of Astronaut Health Program, NASA Johnson Space Center. The lamina cribrosa, optic nerve, retinal vessel and retina were modeled as linear-elastic materials, while other tissues were modeled as a Mooney-Rivlin solid (representing ground substance, stiffness parameter c1) with embedded collagen fibers (stiffness parameters c3, c4 and c5). Geometry creationmesh generation was done in Gmsh [2], while FEBio was used for all FE simulations [3]. The LHSPRCC approach resulted in correlation coefficients in the range of 1. To assess the relative influence of the uncertainty in an input parameter on the peak strains, we ranked and then normalized these coefficients, considering that normalized values 0.5 implied a substantial influence on the range of the peak strains in the optic nerve head (ONH). IOP and ICP were found to have a major influence on the peak strains in the ONH, as did optic nerve and LC stiffness. Interestingly, the stiffness of the sclera far from the scleral canal did not have a large influence on peak strains in ONH tissues; however, the collagen fiber stiffness in the peripapillary sclera and annular ring both influenced the peak strains within the ONH. We have created a physiologically relevant model that incorporated collagen fibers to study the effects of elevated ICP. Elevated ICP resulted in strains in the optic nerve that are not predicted to occur on earth: the upright or supine conditions. We found that IOP, ICP, lamina cribrosa stiffness and optic nerve stiffness had the highest association with these extreme strains in the ONH. These extreme strains may activate mechanosensitive cells that induce tissue remodeling and are a risk factor for the development of VIIP.

biomechanics↗

DOE OSTI2022

Integrated Experimental and Computational K-Edge X-ray Absorption Near-Edge Structure Analysis of Vanadium Catalysts

X-ray Absorption Near-Edge Structure (XANES) spectroscopy is a powerful tool to reveal key structural and electronic features of isolated catalytic sites, yet insights into molecular structure and more detailed orbital analysis through a combination of experimental and computed XANES analysis are necessary for accurate interpretation of the spectra, especially when significant heterogeneity exits among the catalytic sites. Herein, we present an integrated computational and experimental strategy to determine both primary and secondary bonding interactions within the XANES pre-edge region for organovanadium complexes, which was developed using a series of well-defined molecular vanadium complexes and then applied to the characterization of a supported organovanadium olefin hydrogenation catalyst. Time-dependent density functional theory is used to predict the energy of pre-edge XANES features for a series of vanadium complexes with a variety of oxidation states and local coordination environments. Further, a calibration scheme incorporating different density functionals and basis sets is established, resulting in an optimized scheme that accurately predicts pre-edge energies with a mean absolute error of 0.40 eV. Second-shell coordination (e.g., V---V) effects within XANES are identified through the analysis of the computed dominant orbital contributions for multi-vanadium complexes. Orbital analysis also provided confirmation that the vanadium-hydride formation combined with the heterogeneity of the catalytic active species in ole-fin hydrogenation caused the energy shift and broadening of the pre-edge peak after hydrogen treatment of the silica-supported organovanadium pre-catalyst. This work further elucidates computational XANES simulations and techniques potentially guiding characterization in surface organometallic chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2003

Research in Computational Astrobiology

We report on several projects in the field of computational astrobiology, which is devoted to advancing our understanding of the origin, evolution and distribution of life in the Universe using theoretical and computational tools. Research projects included modifying existing computer simulation codes to use efficient, multiple time step algorithms, statistical methods for analysis of astrophysical data via optimal partitioning methods, electronic structure calculations on water-nuclei acid complexes, incorporation of structural information into genomic sequence analysis methods and calculations of shock-induced formation of polycylic aromatic hydrocarbon compounds.

Chaban, Galina↗

NASA NTRS1995

MSC products for the simulation of tire behavior

The modeling of tires and the simulation of tire behavior are complex problems. The MacNeal-Schwendler Corporation (MSC) has a number of finite element analysis products that can be used to address the complexities of tire modeling and simulation. While there are many similarities between the products, each product has a number of capabilities that uniquely enable it to be used for a specific aspect of tire behavior. This paper discusses the following programs: (1) MSC/NASTRAN - general purpose finite element program for linear and nonlinear static and dynamic analysis; (2) MSC/ADAQUS - nonlinear statics and dynamics finite element program; (3) MSC/PATRAN AFEA (Advanced Finite Element Analysis) - general purpose finite element program with a subset of linear and nonlinear static and dynamic analysis capabilities with an integrated version of MSC/PATRAN for pre- and post-processing; and (4) MSC/DYTRAN - nonlinear explicit transient dynamics finite element program.

Muskivitch, John C.↗

DOE OSTI2026

Firmware Tampering Detection in Heavy-Duty Vehicles through J1939 CAN Analysis

Modern heavy-duty vehicles rely on complex networks of Electronic Control Units (ECUs) that communicate using the J1939 protocol. While this system makes it easier to update and configure vehicle components, it also opens the door to serious cybersecurity risks if not properly secured. This work investigates the potential for firmware tampering through the J1939 communication protocol, which enables ECU configuration and reprogramming over the Controller Area Network (CAN) bus. By monitoring CAN traffic during legitimate maintenance operations and reverse-engineering OEM diagnostic software, we identified common and proprietary J1939 message identifiers, authentication patterns, and vulnerabilities within Unified Diagnostic Services (UDS). These findings demonstrate that inadequate authentication mechanisms can allow malicious actors to alter ECU firmware or disable safety functions, posing severe operational and safety risks. Our analysis contributes to the development of vehicle intrusion detection systems capable of recognizing abnormal reprogramming activity and future firmware fingerprinting methods to verify software integrity across ECUs. This work highlights the importance of standardizing secure firmware authentication across manufacturers to strengthen cyber resilience in heavy-duty vehicle systems.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2002

XTE Observations of Intermediate Polars: RXTE TOO Observations of Supernovae

Two intermediate polar cataclysmic variables, PQ Gem and AO Psc, were observed jointly with the Rossi X-ray Timing Explorer (RXTE) and ground-based photometry. The analysis of intermediate polars (IPs) is complex because these objects exhibit light curves that behave differently as a function of energy and that behave differently when phased on the orbital or on the spin periods. The presence of two periods in one system is essentially equivalent to analyzing two different X-ray sources. A preliminary analysis of the PQ Gem data was carried out and presented at the Annapolis Workshop on Magnetic Cataclysmic Variables. The final analysis of the data were held up by problems with the background estimation. The RXTE PCA team has released a new version of the background estimator. The PQ Gem must be reanalyzed using the new background. We have also installed a spectral model that calculates the expected emission from an accretion column. That model is undergoing final testing before we apply it to the data.

Schlegel, E.↗

DOE OSTI2021

Mechanical coupling in the nitrogenase complex

The enzyme nitrogenase reduces dinitrogen to ammonia utilizing electrons, protons, and energy obtained from the hydrolysis of ATP. Mo-dependent nitrogenase is a symmetric dimer, with each half comprising an ATP-dependent reductase, termed the Fe Protein, and a catalytic protein, known as the MoFe protein, which hosts the electron transfer P-cluster and the active-site metal cofactor (FeMo-co). A series of synchronized events for the electron transfer have been characterized experimentally, in which electron delivery is coupled to nucleotide hydrolysis and regulated by an intricate allosteric network. We report a graph theory analysis of the mechanical coupling in the nitrogenase complex as a key step to understanding the dynamics of allosteric regulation of nitrogen reduction. This analysis shows that regions near the active sites undergo large-scale, large-amplitude correlated motions that enable communications within each half and between the two halves of the complex. Computational predictions of mechanically regions were validated against an analysis of the solution phase dynamics of the nitrogenase complex via hydrogen-deuterium exchange. These regions include the P-loops and the switch regions in the Fe proteins, the loop containing the residue β-188Ser adjacent to the P-cluster in the MoFe protein, and the residues near the protein-protein interface. In particular, it is found that: (i) within each Fe protein, the switch regions I and II are coupled to the [4Fe-4S] cluster; (ii) within each half of the complex, the switch regions I and II are coupled to the loop containing β-188Ser; (iii) between the two halves of the complex, the regions near the nucleotide binding pockets of the two Fe proteins (in particular the P-loops, located over 130 Å apart) are also mechanically coupled. Notably, we found that residues next to the P-cluster (in particular the loop containing β-188Ser) are important for communication between the two halves.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Joint linkage and association mapping of complex traits in shrub willow (Salix purpurea L.)

Abstract Background and Aims Increasing energy demands and the necessity to reduce greenhouse gas emissions are key motivating factors driving the development of lignocellulosic crops as an alternative to non-renewable energy sources. The effects of global climate change will require a better understanding of the genetic basis of complex adaptive traits to breed more resilient bioenergy feedstocks, like willow (Salix spp.). Shrub willow is a sustainable and dedicated bioenergy crop, bred to be fast-growing and high-yielding on marginal land without competing with food crops. In a rapidly changing climate, genomic advances will be vital for the sustained improvement of willow and other non-model bioenergy crops. Here, joint genetic mapping was used to exploit genetic variation garnered from both recent and historical recombination events in S. purpurea. Methods A panel of North American naturalized S. purpurea accessions and full-sib F2S. purpurea population were genotyped and phenotyped for a suite of morphological, physiological, pest and disease resistance, and wood chemical composition traits, collected from multi-environment and multi-year replicated field trials. Controlling for population stratification and kinship in the association panel and spatial variation in the F2, a comprehensive mixed model analysis was used to dissect the complex genetic architecture and plasticity of these important traits. Key Results Individually, genome-wide association (GWAS) models differed in terms of power, but the combined approach, which corrects for yearly and environmental co-factors across datasets, improved the overall detection and resolution of associated loci. Although there were few significant GWAS hits located within support intervals of QTL for corresponding traits in the F2, many large-effect QTL were identified, as well as QTL hotspots. Conclusions This study provides the first comparison of linkage analysis and linkage disequilibrium mapping approaches in Salix, and highlights the complementarity and limits of these two methods for elucidating the genetic architecture of complex bioenergy-related traits of a woody perennial breeding programme.

Plant Sciences↗

NASA NTRS2013

Applications of Automation Methods for Nonlinear Fracture Test Analysis

Using automated and standardized computer tools to calculate the pertinent test result values has several advantages such as: 1. allowing high-fidelity solutions to complex nonlinear phenomena that would be impractical to express in written equation form, 2. eliminating errors associated with the interpretation and programing of analysis procedures from the text of test standards, 3. lessening the need for expertise in the areas of solid mechanics, fracture mechanics, numerical methods, and/or finite element modeling, to achieve sound results, 4. and providing one computer tool and/or one set of solutions for all users for a more "standardized" answer. In summary, this approach allows a non-expert with rudimentary training to get the best practical solution based on the latest understanding with minimum difficulty.Other existing ASTM standards that cover complicated phenomena use standard computer programs: 1. ASTM C1340/C1340M-10- Standard Practice for Estimation of Heat Gain or Loss Through Ceilings Under Attics Containing Radiant Barriers by Use of a Computer Program 2. ASTM F 2815 - Standard Practice for Chemical Permeation through Protective Clothing Materials: Testing Data Analysis by Use of a Computer Program 3. ASTM E2807 - Standard Specification for 3D Imaging Data Exchange, Version 1.0 The verification, validation, and round-robin processes required of a computer tool closely parallel the methods that are used to ensure the solution validity for equations included in test standard. The use of automated analysis tools allows the creation and practical implementation of advanced fracture mechanics test standards that capture the physics of a nonlinear fracture mechanics problem without adding undue burden or expense to the user. The presented approach forms a bridge between the equation-based fracture testing standards of today and the next generation of standards solving complex problems through analysis automation.

Allen, Phillip A.↗

DOE OSTI2021

Visual Modeling for Complex System Valuation: Implementation Guidance

Within the Transactive Systems Program (TSP) at Pacific Northwest National Laboratory (PNNL) the need to incorporate a valuation analysis design early within the research process of transactive energy systems led to development of a valuation methodology. This methodology allows the modeling of economic exchanges within a complex system and supports the evaluation of individual stakeholder economic outcomes in addition to systemwide costs and benefits. The use of visual modeling practices enables the research team to reach common understanding and agreement on the analysis design within the complex system. While this methodology was developed for the valuation of transactive energy systems, it can be applied to any complex system where a granular economic analysis is desired. It allows for the inclusion of equity analyses and ties individual activities and microeconomic outcomes with the systemwide macroeconomic impacts. This document serves as implementation guidance for analysts planning to deploy the methodology within a research study. The appendixes provide specific guidance on how this methodology is deployed within the TSP at PNNL for analysts seeking guidance for deployment within that context.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗