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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 127 records · Page 7

Flux-Closure Domain Structures in Ferroelectric K 0.5 Na 0.5 NbO 3 Thin Films

Topological domain structures in ferroelectric materials have garnered increasing attention due to their intriguing physical properties and promising applications. While most existing topological structures in ferroelectric perovskite oxides originate from tetragonal or rhombohedral bulk phases, much less is understood about their counterparts in orthorhombic ferroelectrics. Here, in this work, we employ ferroelectric K 0.5 Na 0.5 NbO 3 (KNN) thin films as a model system and leverage phase-field simulations to theoretically predict the static structures and dynamic behaviors of three types of flux-closure domain configurations: in-plane (Type-I), out-of-plane (Type-II), and superdomain (Type-III) flux-closure structures. We systematically investigate the effects of finite size, misfit strains, and electrical boundary conditions on the formation and switching of these topological structures. For the Type-I structure, size reduction or small misfit strain facilitates a transition of the flux-closure pattern to polar vortices. Type-II structures emerge under open-circuit electrical boundary conditions of the film, forming at the junctions of specific domain walls with the film surface or the film–substrate interface. The formation mechanisms of these two flux-closure structures are rationalized from an energy perspective. We demonstrated switching capabilities of Type-II and Type-III structures by obtaining polarization–electric field hysteresis loops. Our simulations also reveal a reversible electric-field-induced transition between the orthorhombic and rhombohedral ferroelectric phases with a checkerboard domain pattern, during which the integrity of the flux-closure structure is preserved. These findings provide theoretical insights and practical guidance for identifying and manipulating topological structures in low-symmetry ferroelectrics, paving the way for developing energy-efficient microelectronic devices based on topological structures.

P-E loop↗

An empirical approach to predicting long term behavior of metal particle based recording media

Alpha iron particles used for magnetic recording are prepared through a series of dehydration and reduction steps of alpha-Fe2O3-H2O resulting in acicular, polycrystalline, body centered cubic (bcc) alpha-Fe particles that are single magnetic domains. Since fine iron particles are pyrophoric by nature, stabilization processes had to be developed in order for iron particles to be considered as a viable recording medium for long term archival (i.e., 25+ years) information storage. The primary means of establishing stability is through passivation or controlled oxidation of the iron particle's surface. Since iron particles used for magnetic recording are small, additional oxidation has a direct impact on performance especially where archival storage of recorded information for long periods of time is important. Further stabilization chemistry/processes had to be developed to guarantee that iron particles could be considered as a viable long term recording medium. In an effort to retard the diffusion of iron ions through the oxide layer, other elements such as silicon, aluminum, and chromium have been added to the base iron to promote more dense scale formation or to alleviate some of the non-stoichiometric behavior of the oxide or both. The presence of water vapor has been shown to disrupt the passive layer, subsequently increasing the oxidation rate of the iron. A study was undertaken to examine the degradation in magnetic properties as a function of both temperature and humidity on silicon-containing iron particles between 50-120 deg C and 3-89 percent relative humidity. The methodology to which experimental data was collected and analyzed leading to predictive capability is discussed.

Hadad, Allan S.↗

An empirical approach to predicting long term behavior of metal particle based recording media

Alpha iron particles used for magnetic recording are prepared through a series of dehydration and reduction steps of alpha-Fe2O3-H2O resulting in acicular, polycrystalline, body centered cubic (bcc) alpha-Fe particles that are single magnetic domains. Since fine iron particles are pyrophoric by nature, stabilization processes had to be developed in order for iron particles to be considered as a viable recording medium for long term archival (i.e., 25+ years) information storage. The primary means of establishing stability is through passivation or controlled oxidation of the iron particle's surface. A study was undertaken to examine the degradation in magnetic properties as a function of both temperature and humidity on silicon-containing iron particles between 50-120 C and 3-89 percent relative humidity. The methodology to which experimental data was collected and analyzed leading to predictive capability is discussed.

Hadad, Allan S.↗

Ion diffusion retarded by diverging chemical susceptibility

Abstract For first-order phase transitions, the second derivatives of Gibbs free energy (specific heat and compressibility) diverge at the transition point, resulting in an effect known as super-elasticity along the pressure axis, or super-thermicity along the temperature axis. Here we report a chemical analogy of these singularity effects along the atomic doping axis, where the second derivative of Gibbs free energy (chemical susceptibility) diverges at the transition point, leading to an anomalously high energy barrier for dopant diffusion in co-existing phases, an effect we coin as super-susceptibility. The effect is realized in hydrogen diffusion in vanadium dioxide (VO 2 ) with a metal-insulator transition (MIT). We show that hydrogen faces three times higher energy barrier and over one order of magnitude lower diffusivity when it diffuses across a metal-insulator domain wall in VO 2 . The additional energy barrier is attributed to a volumetric energy penalty that the diffusers need to pay for the reduction of latent heat. The super-susceptibility and resultant retarded atomic diffusion are expected to exist universally in all phase transformations where the transformation temperature is coupled to chemical composition, and inspires new ways to engineer dopant diffusion in phase-coexisting material systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final report- UFL - RAPIDS2: A SciDAC Institute for Computer Science, Data, and Artificial Intelligence

The research initiatives supported by the U.S. Department of Energy (DOE) Grant DE-SC0022265 are fundamentally aimed at pioneering advanced machine learning (ML) techniques for scientific data compression within high-performance computing (HPC) environments. This comprehensive body of work addresses the critical challenge posed by the exponential growth of data generated by scientific simulations in domains such as fusion energy, climate modeling, and computational fluid dynamics (CFD). A core objective is to develop compression algorithms that achieve substantial data reduction—often by orders of magnitude—while rigorously ensuring the fidelity of both the primary data (PD) and scientifically crucial derived quantities of interest (QoI). The methodologies deployed under this grant integrate sophisticated deep learning architectures, prominently featuring autoencoders, advanced generative models like conditional diffusion, and hybrid learning techniques. Key innovations include the development of Guaranteed Autoencoders (GAE) and the Guaranteed Conditional Diffusion with Tensor Correction (GCDTC) framework, which provide explicit, instance-level error bounds on reconstructed data. Furthermore, specialized strategies such as nonlinear constraint satisfaction are employed to preserve the integrity of QoI, a vital requirement for the trustworthiness of downstream scientific analyses. This research also focuses on the design and implementation of scalable, GPU-accelerated software pipelines that seamlessly integrate into existing HPC workflows, ensuring both computational efficiency and practical applicability. The CAESAR framework, for example, unifies foundation and generative models to create an adaptive and efficient compression solution for spatio-temporal scientific data. Collectively, these efforts represent a significant advancement in mitigating the scientific data deluge, enabling more effective data management, accelerated scientific discovery, and optimized utilization of HPC resources.

97 MATHEMATICS AND COMPUTING↗

Direct Solve of Electrically Large Integral Equations for Problem Sizes to 1M Unknowns

Matrix methods for solving integral equations via direct solve LU factorization are presently limited to weeks to months of very expensive supercomputer time for problems sizes of several hundred thousand unknowns. This report presents matrix LU factor solutions for electromagnetic scattering problems for problem sizes to one million unknowns with thousands of right hand sides that run in mere days on PC level hardware. This EM solution is accomplished by utilizing the numerical low rank nature of spatially blocked unknowns using the Adaptive Cross Approximation for compressing the rank deficient blocks of the system Z matrix, the L and U factors, the right hand side forcing function and the final current solution. This compressed matrix solution is applied to a frequency domain EM solution of Maxwell's equations using standard Method of Moments approach. Compressed matrix storage and operations count leads to orders of magnitude reduction in memory and run time.

Shaeffer, John↗

Hydrogen applications in airport operations: a review using the Port Authority of New York and New Jersey as an illustrative airport system

Airports combine aircraft propulsion, ground operations, stationary power systems, and fuel logistics in ways that make emissions reduction technically and operationally complex. Existing studies often assess hydrogen applications in these areas separately, limiting understanding of the shared infrastructure, safety, and operational constraints that shape airport deployment. This review evaluates hydrogen across three airport-relevant operational domains: aviation propulsion, ground support equipment and vehicles, and stationary power systems. Within aviation propulsion, the review examines sustainable aviation fuel production and hydrogen-powered aircraft as two distinct hydrogen-relevant pathways. The Port Authority of New York and New Jersey is used as an illustrative airport system to relate the literature to a real operating context. Drawing on peer-reviewed studies, technical reports, demonstration projects, and public operational information, the review also includes screening-level calculations of hydrogen demand and potential CO 2 e reductions for selected applications. The findings show that hydrogen's role is highly application-specific. Near-term opportunities are strongest where hydrogen serves as a low-carbon process input, supports selected high-utilization ground equipment, or contributes to resilient stationary power-system configurations. Hydrogen-powered aircraft remain a longer-term option because storage, fueling infrastructure, certification, cost, and NO x management continue to constrain deployment. Across all domains, infrastructure readiness, fuel logistics, safety requirements, and leakage management emerge as recurring determinants of viability. Future research should focus on cross-domain infrastructure planning, comparative assessment of hydrogen against alternative pathways, improved treatment of leakage and non-CO 2 effects, and clearer safety and regulatory frameworks for airport deployment.

08 HYDROGEN↗

Health Monitoring System for Composite Structures

An automated system was developed to monitor the health status of composites. It uses the vibration characteristics of composites to identify a component's damage condition. The vibration responses are characterized by a set of signal features defined in the time, frequency and spatial domains. The identification of these changes in the vibration characteristics corresponding to different health conditions was performed using pattern recognition principles. This allows efficient data reduction and interpretation of vast amounts of information. Test components were manufactured from isogrid panels to evaluate performance of the monitoring system. The components were damaged by impact to simulate different health conditions. Free vibration response was induced by a tap test on the test components. The monitoring system was trained using these free vibration responses to identify three different health conditions. They are undamaged vs. damaged, damage location and damage zone size. High reliability in identifying the correct component health condition was achieved by the monitoring system.

Tang, S. S.↗

The Influence of Volcanic Eruptions on the Climate of Tropical South America During the Last Millennium in an Isotope-Enabled General Circulation Model

Currently, little is known on how volcanic eruptions impact large-scale climate phenomena such as South American paleo-intertropical Convergence Zone (ITCZ) position and summer monsoon behavior. In this paper, an analysis of observations and model simulations is employed to assess the influence of large volcanic eruptions on the climate of tropical South America. This problem is first considered for historically recent volcanic episodes for which more observations are available but where fewer events exist and the confounding effects of El Niño-Southern Oscillation (ENSO) lead to inconclusive interpretation of the impact of volcanic eruptions at the continental scale. Therefore, we also examine a greater number of reconstructed volcanic events for the period 850 CE to present that are incorporated into the NASA GISS ModelE2-R simulation of the last millennium. An advantage of this model is its ability to explicitly track water isotopologues throughout the hydrologic cycle and simulating the isotopic imprint following a large eruption. This effectively removes a degree of uncertainty associated with error-prone conversion of isotopic signals into climate variables, and allows for a direct comparison between GISS simulations and paleoclimate proxy records. Our analysis reveals that both precipitation and oxygen isotope variability respond with a distinct seasonal and spatial structure across tropical South America following an eruption. During austral winter, the heavy oxygen isotope in precipitation is enriched, likely due to reduced moisture convergence in the ITCZ domain and reduced rainfall over northern South America. During austral summer, however, more negative values of the precipitation isotopic composition are simulated over Amazonia, despite reductions in rainfall, suggesting that the isotopic response is not a simple function of the "amount effect". During the South American monsoon season, the amplitude of the temperature response to volcanic forcing is larger than the rather weak and spatially less coherent precipitation signal, complicating the isotopic response to changes in the hydrologic cycle.

Colose, Christopher M.↗

Supplement of: The Influence of Volcanic Eruptions on the Climate of Tropical South America During the Last Millennium in an Isotope-Enabled General Circulation Model

Currently, little is known on how volcanic eruptions impact large-scale climate phenomena such as South American paleo-intertropical Convergence Zone (ITCZ) position and summer monsoon behavior. In this paper, an analysis of observations and model simulations is employed to assess the influence of large volcanic eruptions on the climate of tropical South America. This problem is first considered for historically recent volcanic episodes for which more observations are available but where fewer events exist and the confounding effects of El NioSouthern Oscillation (ENSO) lead to inconclusive interpretation of the impact of volcanic eruptions at the continental scale. Therefore, we also examine a greater number of reconstructed volcanic events for the period 850CE to present that are incorporated into the NASA GISS ModelE2-R simulation of the last millennium.An advantage of this model is its ability to explicitly track water isotopologues throughout the hydrologic cycle and simulating the isotopic imprint following a large eruption. This effectively removes a degree of uncertainty associated with error-prone conversion of isotopic signals into climate variables, and allows for a direct comparison between GISS simulations and paleoclimate proxy records.Our analysis reveals that both precipitation and oxygen isotope variability respond with a distinct seasonal and spatial structure across tropical South America following an eruption. During austral winter, the heavy oxygen isotope in precipitation is enriched, likely due to reduced moisture convergence in the ITCZ domain and reduced rainfall over northern South America. During austral summer, however, more negative values of the precipitation isotopic composition are simulated over Amazonia, despite reductions in rainfall, suggesting that the isotopic response is not a simple function of the amount effect. During the South American monsoon season, the amplitude of the temperature response to volcanic forcing is larger than the rather weak and spatially less coherent precipitation signal, complicating the isotopic response to changes in the hydrologic cycle.

Colose, Christopher↗

Free-decay time-domain modal identification for large space structures

Concept definition studies for the Modal Identification Experiment (MIE), a proposed space flight experiment for the Space Station Freedom (SSF), have demonstrated advantages and compatibility of free-decay time-domain modal identification techniques with the on-orbit operational constraints of large space structures. Since practical experience with modal identification using actual free-decay responses of large space structures is very limited, several numerical and test data reduction studies were conducted. Major issues and solutions were addressed, including closely-spaced modes, wide frequency range of interest, data acquisition errors, sampling delay, excitation limitations, nonlinearities, and unknown disturbances during free-decay data acquisition. The data processing strategies developed in these studies were applied to numerical simulations of the MIE, test data from a deployable truss, and launch vehicle flight data. Results of these studies indicate free-decay time-domain modal identification methods can provide accurate modal parameters necessary to characterize the structural dynamics of large space structures.

Kim, Hyoung M.↗

A Low-Rank QTT-based Finite Element Method for Elasticity Problems

We present an efficient and robust numerical algorithm for solving the linear elasticity problem that combines the Quantized Tensor Train format and a domain partitioning strategy. This approach makes it possible to solve the linear elasticity problem on a computational domain that is more general than a square. By integrating Z-ordering and subdomain concatenation, our method substantially decreases memory usage and achieves a notable reduction in rank compared to established Finite Element implementations like the FEniCS platform. This efficiency is maintained while still guaranteeing exponential convergence with respect to the number of degrees of freedom. This performance gain, however, requires a fundamental rethinking of how core finite element operations are implemented. This includes changes to mesh discretization, node and degree of freedom ordering, stiffness matrix and internal nodal force assembly, and the execution of algebraic matrix-vector operations. In this work, we discuss all these aspects in detail and assess the method’s performance in the numerical approximation of three representative test cases.

97 MATHEMATICS AND COMPUTING↗

A Modal-Parameter Extraction Procedure

Procedure accommodates multiple input excitations. Improved modalparameter extraction procedure applicable to linear, time-invariant systems derived in 92-page report. Algorithm allows multiple noncoherent input excitations applied to structure and generates consistent set of modal parameters. Procedure extension of simultaneous frequency-domain (SFD) techniques achieved through investigation of two automatic methods for reducing effective problem size while minimizing amount of user interaction. In several sample runs, independentcoordinate reduction method shown more accurate method for small sample size. Principle-component method used to estimate number of modes active in given frequency range.

Kurdila, A. H.↗

Fan Noise Source Diagnostic Test: Vane Unsteady Pressure Results

To investigate the nature of fan outlet guide vane pressure fluctuations and their link to rotor-stator interaction noise, time histories of vane fluctuating pressures were digitally acquired as part of the Fan Noise Source Diagnostic Test. Vane unsteady pressures were measured at seven fan tip speeds for both a radial and a swept vane configuration. Using time-domain averaging and spectral analysis, the blade passing frequency (BPF) harmonic and broadband contents of the vane pressures were individually analyzed. Significant Sound Pressure Level (SPL) reductions were observed for the swept vane relative to the radial vane for the BPF harmonics of vane pressure, but vane broadband reductions due to sweep turned out to be much smaller especially on an average basis. Cross-correlation analysis was used to establish the level of spatial coherence of broadband pressures between different locations on the vane and integral length scales of pressure fluctuations were estimated from these correlations. Two main results of this work are: (1) the average broadband level on the vane (in dB) increases linearly with the fan tip speed for both the radial and swept vanes, and (2) the broadband pressure distribution on the vane is nearly homogeneous and its integral length scale is a monotonically decreasing function of fan tip speed.

Envia, Edmane↗

Adaptive Inverse Control for Rotorcraft Vibration Reduction

This thesis extends the Least Mean Square (LMS) algorithm to solve the mult!ple-input, multiple-output problem of alleviating N/Rev (revolutions per minute by number of blades) helicopter fuselage vibration by means of adaptive inverse control. A frequency domain locally linear model is used to represent the transfer matrix relating the higher harmonic pitch control inputs to the harmonic vibration outputs to be controlled. By using the inverse matrix as the controller gain matrix, an adaptive inverse regulator is formed to alleviate the N/Rev vibration. The stability and rate of convergence properties of the extended LMS algorithm are discussed. It is shown that the stability ranges for the elements of the stability gain matrix are directly related to the eigenvalues of the vibration signal information matrix for the learning phase, but not for the control phase. The overall conclusion is that the LMS adaptive inverse control method can form a robust vibration control system, but will require some tuning of the input sensor gains, the stability gain matrix, and the amount of control relaxation to be used. The learning curve of the controller during the learning phase is shown to be quantitatively close to that predicted by averaging the learning curves of the normal modes. For higher order transfer matrices, a rough estimate of the inverse is needed to start the algorithm efficiently. The simulation results indicate that the factor which most influences LMS adaptive inverse control is the product of the control relaxation and the the stability gain matrix. A small stability gain matrix makes the controller less sensitive to relaxation selection, and permits faster and more stable vibration reduction, than by choosing the stability gain matrix large and the control relaxation term small. It is shown that the best selections of the stability gain matrix elements and the amount of control relaxation is basically a compromise between slow, stable convergence and fast convergence with increased possibility of unstable identification. In the simulation studies, the LMS adaptive inverse control algorithm is shown to be capable of adapting the inverse (controller) matrix to track changes in the flight conditions. The algorithm converges quickly for moderate disturbances, while taking longer for larger disturbances. Perfect knowledge of the inverse matrix is not required for good control of the N/Rev vibration. However it is shown that measurement noise will prevent the LMS adaptive inverse control technique from controlling the vibration, unless the signal averaging method presented is incorporated into the algorithm.

Jacklin, Stephen A.↗

Development of a residual acceleration data reduction and dissemination plan

A major obstacle in evaluating the residual acceleration environment in an orbiting space laboratory is the amount of data collected during a given mission: gigabytes of data will be available as SAMS units begin to fly regularly. Investigators taking advantage of the reduced gravity conditions of space should not be overwhelmed by the accelerometer data which describe these conditions. We are therefore developing a data reduction and analysis plan that will allow principal investigators of low-g experiments to create experiment-specific residual acceleration data bases for post-flight analysis. The basic aspects of the plan can also be used to characterize the acceleration environment of earth orbiting laboratories. Our development of the reduction plan is based on the following program of research: the identification of experiment sensitivities by order of magnitude estimates and numerical modelling; evaluation of various signal processing techniques appropriate for the reduction, supplementation, and dissemination of residual acceleration data; and testing and implementation of the plan on existing acceleration data bases. The orientation of the residual acceleration vector with respect to some set of coordinate axes is important for experiments with known directional sensitivity. Orientation information can be obtained from the evaluation of direction cosines. Fourier analysis is commonly used to transform time history data into the frequency domain. Common spectral representations are the amplitude spectrum which gives the average of the components of the time series at each frequency and the power spectral density which indicates the power or energy present in the series per unit frequency interval. The data reduction and analysis scheme developed involves a two tiered structure to: (1) identify experiment characteristics and mission events that can be used to limit the amount of accelerator data an investigator should be interested in; and (2) process the data in a way that will be meaningful to the experiment objectives. A general outline of the plan is given.

Rogers, Melissa J. B.↗

Learning the factors controlling mineral dissolution in three-dimensional fracture networks: applications in geologic carbon sequestration

We perform a set of high-fidelity simulations of geochemical reactions within three-dimensional discrete fracture networks (DFN) and use various machine learning techniques to determine the primary factors controlling mineral dissolution. The DFN are partially filled with quartz that gradually dissolves until quasi-steady state conditions are reached. At this point, we measure the quartz remaining in each fracture within the domain as our primary quantity of interest. We observe that a primary sub-network of fractures exists, where the quartz has been fully dissolved out. This reduction in resistance to flow leads to increased flow channelization and reduced solute travel times. However, depending on the DFN topology and the rate of dissolution, we observe substantial variability in the volume of quartz remaining within fractures outside of the primary subnetwork. This variability indicates an interplay between the fracture network structure and geochemical reactions. We characterize the features controlling these processes by developing a machine learning framework to extract their relevant impact. Specifically, we use a combination of high-fidelity simulations with a graph-based approach to study geochemical reactive transport in a complex fracture network to determine the key features that control dissolution. We consider topological, geometric and hydrological features of the fracture network to predict the remaining quartz in quasi-steady state. We found that the dissolution reaction rate constant of quartz and the distance to the primary sub-network in the fracture network are the two most important features controlling the amount of quartz remaining. This study is a first step towards characterizing the parameters that control carbon mineralization using an approach with integrates computational physics and machine learning.

54 ENVIRONMENTAL SCIENCES↗

Time-dependent response of filamentary composite spherical pressure vessels

A filamentary composite spherical pressure vessel is modeled as a pseudoisotropic (or transversely isotropic) composite shell, with the effects of the liner and fill tubes omitted. Equations of elasticity, macromechanical and micromechanical formulations, and laminate properties are derived for the application of an internally pressured spherical composite vessel. Viscoelastic properties for the composite matrix are used to characterize time-dependent behavior. Using the maximum strain theory of failure, burst pressure and critical strain equations are formulated, solved in the Laplace domain with an associated elastic solution, and inverted back into the time domain using the method of collocation. Viscoelastic properties of HBFR-55 resin are experimentally determined and a Kevlar/HBFR-55 system is evaluated with a FORTRAN program. The computed reduction in burst pressure with respect to time indicates that the analysis employed may be used to predict the time-dependent response of a filamentary composite spherical pressure vessel.

Dozier, J. D.↗