Search NASA⌕ Search

SEARCH · Search NASA

Results for “experimental data analysis”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Measurement of the thermal effects in the dispersion relation of the dust acoustic wave in the presence of a magnetic field

This award supported an experimental study of the properties of the dust acoustic wave, low-frequency, l ongitudinal wave mode that propagates through the dust component of a dusty plasma system and is self-excited by the free energy from the ion streaming p ast the dust, in the presence of a high magnetic fiel d. In particular, this project measured the thermal state of dusty plasma system by measuring the dispersi on relation of the dust acoustic wave while varying (1) the strength and direction of the magnetic field relative to the propagation direction of the wave and (2) the neutral gas pressure. By exploiting the unique ability of the MDPX facility to generate a dusty plasma in a high magnetic field environment, it is possible to create a preferential ion flow along the magnetic field lines as the ions become magnetized. In this way, the magnetic field strength can be used to control t he strength of the ion flow through the dust cloud an d provide insight into the contribution that one of the physical mechanisms, a two-stream ion-dust instability, thought to be responsible for high temperatures that have been previously observed might have. This work was completed over two, one-week long runs o n the Magnetized Dusty Plasma eXperiment (MDPX) in the Magnetized Plasma Research Laboratory at Auburn University and supported by work at Wittenberg University (development of an electrode system that would allow for the wave mode to propagate in th e direction of gravity as the orientation of the magnetic field is changed by rotating the magnets on the M DPX device, analysis of data acquired during the experimental campaigns, testing alternative strategies to form a dust cloud based on what was learned the first experimental campaign, etc.).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Intermolecular Interactions in Direct Air Capture Materials: Insights from Charge Density Analysis

Direct air capture (DAC) materials enable the removal of CO 2 from the atmosphere, but improving their efficiency requires a detailed understanding of the intermolecular interactions that govern CO 2 sorption and release. Here, we present an experimental electron density study of methylglyoxal-bis(iminoguanidine) (MGBIG), a promising DAC material, using high-resolution X-ray and neutron diffraction data combined with quantum crystallographic analysis. This approach bridges theoretical and experimental data by quantifying electron density distributions and revealing how hydrogen bonds stabilize CO 2 -derived carbonate phases and may influence the desorption behavior. We identify distinct hydrogen-bonding environments in two crystalline carbonate phases: P1, a transient kinetic product, and P3, a thermodynamically stable phase. Multipolar refinement and electrostatic potential and multipole moment calculations precisely map electron density distributions, revealing key hydrogen bonds involved in CO 2 capture. Topological analysis of electron density highlights a cooperative hydrogen-bonding network in the thermodynamically favored P3 phase, where enhanced electron density delocalization and water-mediated interactions contribute to a more stable lattice. Energetic analyses confirm that stronger hydrogen bonding networks enhance the stability of P3 with a binding energy of −607.0 kJ/mol and greater lattice stability (−847.3 kJ/mol) compared to P1 (−302.5 and −571.0 kJ/mol, respectively). Electrostatic potential maps further illustrate polarization patterns that may influence the stability of the binding of CO 2 and release conditions. These findings establish a direct experimental framework for linking electron density distributions to intermolecular interactions in DAC materials, providing a rational design strategy for optimizing sorbents with improved CO 2 capture efficiency and reduced energy demands.

Electron density↗
DOE OSTI2023

Integration of Experimental Hydroprocessing and FCC Data with Process (Aspen Plus) and Refinery Optimization (Aspen PIMS) Models

NREL's Economic, Sustainability, and Market Analysis (ESMA) team develops process models in Aspen Plus to support techno-economic analysis (TEA) and life-cycle assessment (LCA) of conversion pathways from renewable and circular resources to fuels and chemicals. These tools are being applied to assess probable operational constraints or bottlenecks associated with refinery co-processing and repurposing opportunities. The team also utilizes optimizable refinery models to quantify opportunities for biofuel and bioproduct pathways through integration with existing refining infrastructure. The goals of analysis are to model the transition of refineries to renewable and circular feedstocks and quantify the costs production and CO2 abatement through utilization of existing refineries. At the core of the ESMA team's work is the process data derived from conversion experiments on hydroprocessing and fluid catalytic cracking performed at NREL. The objective of this presentation is to highlight new analysis approaches and capabilities in pathway analysis and refinery optimization modeling with specific emphasis on integration of experimental data.

BIOMASS FUELS,ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Resolving Graphite‐Electrolyte Interphase of Lithium‐Ion Batteries using Air‐Tight Ambient Mass Spectrometry

Abstract The formation of a stable solid electrolyte interphase (SEI) at graphite electrode is necessary for lithium‐ion batteries (LIB) to prevent excessive degradation of electrolytes. Until now, the exact organic composition of SEI has not been decisively determined with lithium ethylene mono‐carbonate (LEMC) being one of the debated components. An air‐tight ambient mass spectrometry (MS) platform is developed to directly characterize the air‐sensitive organic components present in SEI. Ionization occurs via a solvent‐free field‐induced process at atmospheric pressure. Our experimental data, based on tandem MS analysis, revealed LEMC to be the major organic component in SEI. This result resolves a long‐standing mystery surrounding the composition of native SEI in LIB, where no trace of the other debated compound, lithium ethylene dicarbonate, was detected. The energetics of fragmentation of LEMC and the corresponding stabilities of various ionic species detected during the air‐tight ambient MS analysis were calculated using density functional theory (DFT). Our findings confirmed favorable protonation energies and suggested the molecular structures for many of the detected species. Solvent (i. e., ethylene carbonate)‐induced stabilization effects observed during the ionization process were also confirmed by DFT. The reported study encourages the routine use of ambient mass spectrometry to characterize both anodic and cathodic electrodes of all battery types as well as to study other air‐sensitive materials in their native state.

25 ENERGY STORAGE↗
DOE OSTI2026

Experimental design of a W-band corrugated waveguide for wakefield acceleration studies

Radiofrequency (RF) structures in the sub-terahertz (sub-THz) regime are of interest for applications in structure wakefield acceleration due to their compact size and potential for high gradients. Here, we present the design, fabrication, and experimental setup of a metallic corrugated waveguide at 110 GHz, optimized for the 42 MeV electron beam parameters at the Argonne Wakefield Accelerator (AWA). The emittance exchange (EEX) beamline at AWA was used to perform longitudinal bunch shaping for two cases: (1) a high decelerating gradient experienced by a single drive electron bunch about 250 μm long; (2) a high transformer ratio using a two-bunch train consisting of a triangularly shaped drive bunch followed by a long witness bunch to probe the wakefield. Preliminary experimental results are presented, and data analysis is ongoing.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Resolving Discrepancies between State-of-the-Art Theory and Experiment for HO 2 + HO 2 via Multiscale Informatics

Recent high-level theoretical calculations predict a mild temperature dependence for HO 2 + HO 2 inconsistent with state-of-the-art experimental determinations that upheld the stronger temperature dependence observed in early experiments. Via MultiScale Informatics analysis of the theoretical and experimental data, we identified an alternative interpretation of the raw experimental data that uses HO 2 + HO 2 rate constants nearly identical to theoretical predictions---implying that the theoretical and experimental data are actually consistent, at least when considering the raw data from experimental studies. Here, similar analyses of typical signals from low-temperature experiments indicate that an HOOOOH intermediate---identified by recent theory but absent from earlier interpretations---yields modest effects that are smaller than, but may have contributed to, the scatter in data among different experiments. More generally, the findings demonstrate that modern chemical theories and experiments have progressed to a point where meaningful comparison requires joint consideration of their data simultaneously.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

An AI-accelerated pathway for reproducible and stable halide perovskites

Halide perovskites (HPs) have remarkable optoelectronic properties, and in the last decade their photovoltaic power conversion efficiency and light-emitting diode efficiency have skyrocketed. Despite the surge in research on these burgeoning materials, two key challenges in the field remain: material irreproducibility and instability. Their behavior is especially dynamic in response to environmental stressors, due to complex interactions with the perovskite crystal lattice. Here, in this review, we survey the latest achievements in HP materials research accomplished with the assistance of artificial intelligence (AI), through the implementation of automated experimentation and machine learning (ML) data analysis. Automated synthesis and characterization tackle problems with material irreproducibility by systematically controlling parameters with very high precision, creating massive datasets, and allowing methodical comparisons from which unbiased conclusions can be drawn. AI can reveal otherwise unnoticed trends, inform future experiments with the highest potential information gain, and forecast future performance. The review concludes with a forward viewpoint of how human-assisted closed-loop laboratories and shared databases allow halide perovskite materials’ processing, properties, and performance to be potentially optimized with AI, accelerating the development of highly reproducible and stable optoelectronic devices.

Hering, Abigail R. [Univ. of California, Davis, CA↗
DOE OSTI2024

3D multi-system Bayesian calibration with energy conservation to study rapidity-dependent dynamics of nuclear collisions

Considerable information about the early-stage dynamics of heavy ion collisions is encoded in the rapidity dependence of measurements. To leverage the large amount of experimental data, we perform a systematic analysis using three-dimensional hydrodynamic simulations of multiple collision systems — large and small, symmetric and asymmetric. Specifically, we perform fully 3D multi-stage hydrodynamic simulations initialized by a parameterized model for rapidity-dependent energy deposition, which we calibrate on the hadron multiplicity and anisotropic flow coefficients. We utilize Bayesian inference to constrain properties of the early- and late-time dynamics of the system, and highlight the impact of enforcing global energy conservation in our 3D model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Investigating shear flow through continuum gyrokinetic simulations of limiter biasing in the Texas Helimak

Previous limiter-biasing experiments on the Texas Helimak, a simple magnetized torus, have been inconclusive on the effect of flow shear on turbulence levels. To explore this, the first gyrokinetic simulations of limiter biasing in the Helimak using the plasma physics code Gkeyll have been carried out, and results are presented here. For the scenarios considered, turbulence is mostly driven by the interchange instability, which depends on gradients of steady state density profiles. An analysis of both experimental and simulation data demonstrates that shear rates are mostly less than than local linear growth rates, and not all requirements for shear stabilization are met. Yet, the mostly vertical shear flow has an important effect on bulk transport and experimental steady-state density profiles, and changes to the gradients correspond to changes in turbulence levels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Piezoresponse amplitude and phase quantified for electromechanical characterization

Piezoresponse force microscopy (PFM) is a powerful characterization technique to readily image and manipulate the ferroelectric domains. PFM gives an insight into the strength of local piezoelectric coupling and polarization direction through PFM amplitude and phase, respectively. Converting measured arbitrary units into units of effective piezoelectric constant remains a challenge, and insufficient methods are often used. While most quantification efforts have been spent on quantifying the PFM amplitude signal, little attention has been given to the PFM phase, which is often arbitrarily adjusted to fit expectations. This is problematic when investigating materials with unknown or negative sign of the probed effective electrostrictive coefficient or strong frequency dispersion of electromechanical responses, because assumptions about the PFM phase cannot be reliably made. The PFM phase can, however, provide important information on the polarization orientation and the sign of the effective electrostrictive coefficient probed by PFM. Most notably, the orientation of the PFM hysteresis loop is determined by the PFM phase. Moreover, when presenting PFM data as a combined signal, the resulting response can be artificially lowered or asymmetric if the phase data have not been correctly processed. Here, we explain the PFM amplitude quantification process and demonstrate a path to identify the phase offset required to extract correct meaning from the PFM phase data. We explore different sources of phase offsets including the experimental setup, instrumental contributions, and data analysis. We discuss the physical working principles of PFM and develop a strategy to extract physical meaning from the PFM amplitude and phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Energetic particle-induced geodesic acoustic modes on DIII-D

Various properties of the energetic particle-induced geodesic acoustic mode (EGAM) are explored in this large database analysis of DIII-D experimental data. EGAMs are n = 0 modes with m = 0 electrostatic potential fluctuations (where n/m = toroidal/poloidal mode number), m = 1 density fluctuations, and m = 2 magnetic fluctuations. The fundamental frequency (~20–40 kHz) of the mode is typically below that of the traditional geodesic acoustic mode frequency. EGAMs are most easily destabilized by beams in the counter plasma current (counter-I p ) direction as compared to co-Ip and off-axis beams. During counter beam injection, the mode frequency is found to have the strongest linear dependence (correlation coefficient r = –0.71) with the safety factor (q). Here, the stability of the mode in the space of q and poloidal beta (β p ) shows a clear boundary for the mode stability. The stability of the mode depends more strongly on damping rate than on fast-ion drive for a given injection geometry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

The B1APF Large Aperture Interaction Region Dipole

Brookhaven National Laboratory is hosting the Electron Ion Collider (EIC). B1APF dipole is the last magnet near the interaction point #6. The longitudinal geometrical space available for this magnet is 1.5 m. The diameter of the coil mandrel is 370 mm. The 3-dimensional coil ends design is particularly challenging because of this large aspect ratio. The coil operating current and operating temperature are 12600 A and 1.9 K respectively. It produces an integrated dipole field of 4.05 Tm. The coil is wound with a NbTi Rutherford cable which is 15.1 mm wide and 1.8 mm thick. The parameters for the 3D end design optimization are obtained after a series of winding tests on a real mandrel with the given cable. In conclusion, this study discusses the latest design based on 1) sensitivity studies on variations in wedge thicknesses and variations in B-H data, and 2) experimental data from the winding trials, analysis and its implementation in the 3D design of this magnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Investigation into the transport properties of planetary interiors through inelastic X-ray scattering experiments and quantum molecular dynamics (Final Technical Report)

This was a two-year research project for the period 08/15/2018 - 08/14/2020 conducted at the University of Nevada, Reno using Pronghorn, a newly built high-performance cluster located at the University. The short-term project goal was to provide computational support for the experimental campaigns at LCLS through data analysis of previous and upcoming scheduled experiments, along with performing state-of-the-art atomistic simulations of dense plasmas. The longer-term goal was to create a new computational high energy density physics group located at the University of Nevada, Reno. Guided by results from past and future high-resolution scattering experiments, we aimed to research and develop non-equilibrium and non-adiabatic atomistic simulations of dense plasmas that went beyond the Born-Oppenheimer approximation

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Extraction of Vibration Data with Imaging

To date, the primary sensing technology used to measure the vibration response has been accelerometers and strain gages mounted directly to the structure and using either wired or, more recently, wireless telemetry. Cost issues with these sensors and the associated data acquisition systems typically limit the numbers that are deployed on in situ structures. Although there are a few structures with larger sensing counts that in some cases exceed over 1000 sensors, more typical numbers range from ten to one hundred sensors resulting in low spatial resolution when they are applied to physically large systems. When one considers that nuclear power plant structures usually have complex geometries, material properties, connectivity and boundary conditions, it is clear these current approaches to vibration measurements can only provide limited information about a system’s dynamics response characteristics. As an alternative, many non-contact measurement technologies have emerged, including point wise measurement methods such as Global Positioning System (GPS), microwave interferometry, and laser Doppler vibrometry (LDV), as well as simultaneous full-field measurement methods such as electronic speckle pattern interferometry, holography interferometry, and muon tomography, some of which can provide high spatial resolution measurements. Among these methods, digital video imaging techniques have emerged as a feasible solution for full-field vibration measurements that provide significantly more detailed dynamic response information because every pixel becomes a measurement point. Furthermore, recent advances in image processing and computer vision algorithms have been successfully used to process video data for experimental and operational modal analysis. Such full-field measurements have the potential to significantly improve many current structural assessment procedures including system identification (modal parameter estimation), structural health monitoring, load reconstruction, model validation, and model updating. Furthermore, more recent full-field imaging techniques can be accomplished with relatively low-cost, commercially-available off-the-shelf cameras. However, these measurement procedures have other limitations that must be considered such as the ability to only measure visibly accessible points on a structure and a more limited dynamic range and bandwidth than can be achieved with accelerometers or strain gages.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Report on the "Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments"

An international group of researchers gathered for the “Symposium on Advancements in Simulating Neutron Scattering Instruments and Experiments” at Oak Ridge National Laboratory (ORNL) on October 29- 30, 2024. The symposium highlighted state-of-the-art advancements in neutron scattering instrument simulations and the development of digital twins for scattering instruments. This document summarizes the recurring themes from the 19 talks and discussions. A key focus was on the role of neutronics simulations in the design, analysis, and performance optimization of neutron instruments. Presentations featured the most widely used software packages, such as McStas, McVine, Vitess, and MCNP. Another major theme addressed the analysis and interpretation of experimental neutron data, where materials models and simulations play a critical role. Talks on relevant software tools, including NCrystal, OCLimax, and Paradyse, were delivered by their respective developers. During the symposium, both talks and breakout sessions explored strategies to enhance the interplay between neutronics simulations and materials models. A key question emerged: How can we develop a RealTime Explainable Digital Twin of a neutron scattering experiment? Discussions include the idea that the Digital Twin concept has implications for instrument control and testing. Through this symposium, we gained valuable insights into the challenges and requirements for developing a Real-Time Explainable Digital Twin of a neutron scattering experiment. The discussions and presentations paved the way for future innovations in this rapidly advancing field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Improving the Productivity and Performance of Large-Scale Integrated Algal Systems for Wastewater Treatment and Biofuel Production

The goal of this project was to develop and demonstrate an integrated system for algal biofuel production system and wastewater treatment that can produce low-cost drop-in biofuels. Experimental data and techno-economic analysis showed the ability to produce drop-in biofuels from wastewater derived algal biomass at a cost of $3.32 and identified methods to further reduce costs. In particular, when accounting for wastewater treatment cost savings relative to conventional processes, the proposed integrated system can support a negative minimum fuel selling price. This means the normal costs of wastewater treatment are sufficient to cover all the costs of biofuel production with the integrated system.

09 BIOMASS FUELS↗
DOE OSTI2026

Advancing SiC clad fuel performance model: bridging micro- and macro-scale models and experimental validation

This report presents a workflow for advancing fuel performance modeling of SiC composite cladding for light-water reactors by linking microscale, experimental data-informed finite element analysis with rod-scale fuel performance codes such as BISON. The workflow uses X-ray computed tomography (XCT) to capture the actual geometry and processing-induced defects of as-fabricated SiC composite tube specimens, particularly porosity and wall-thickness variations, and converts the segmented XCT volumes into image-based finite element meshes for high fidelity structural analysis.

Koyanagi, Takaaki [Oak Ridge National Laboratory (↗
DOE OSTI2024

Prediction of the Cu oxidation state from EELS and XAS spectra using supervised machine learning

Abstract Electron energy loss spectroscopy (EELS) and X-ray absorption spectroscopy (XAS) provide detailed information about bonding, distributions and locations of atoms, and their coordination numbers and oxidation states. However, analysis of XAS/EELS data often relies on matching an unknown experimental sample to a series of simulated or experimental standard samples. This limits analysis throughput and the ability to extract quantitative information from a sample. In this work, we have trained a random forest model capable of predicting the oxidation state of copper based on its L-edge spectrum. Our model attains an R 2 score of 0.85 and a root mean square error of 0.24 on simulated data. It has also successfully predicted experimental L-edge EELS spectra taken in this work and XAS spectra extracted from the literature. We further demonstrate the utility of this model by predicting simulated and experimental spectra of mixed valence samples generated by this work. This model can be integrated into a real-time EELS/XAS analysis pipeline on mixtures of copper-containing materials of unknown composition and oxidation state. By expanding the training data, this methodology can be extended to data-driven spectral analysis of a broad range of materials.

36 MATERIALS SCIENCE↗