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NASA NTRSDate not supplied

Pushing the Limits of Aquatic Remote Sensing: Synthetic Data and Deep Learning for Fast Inverse Emulation of A Coupled Ocean-Atmosphere Radiative Transfer Model

The inversion of electromagnetic information to physical and biological properties of the water column is a notoriously difficult problem, yet fundamental to our ability of understanding aquatic processes on large time and space scales. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will discuss research integrating advanced biological and radiative modeling, high-end computation, and machine learning to develop a portable global processor for simultaneous retrieval of atmosphere and water optics for diverse aquatic systems from the open and coastal ocean to optically extreme inland waters and harmful algal blooms. We will discuss some of the basic concepts behind the forward modeling approach including DEAP, the novel Distributed Equivalent Algal Populations model, for developing large spectral libraries of aquatic particle optics to aid in our ability to distinguish phytoplankton functional types (PFTs) and inorganic material, as well as other factors which enable comprehensive modeling from the benthos to top-of-atmosphere (TOA). This information is being used to understand how we can leverage next-generation deep learning methods for maximum information retrieval and rapid image processing, while also providing capabilities to identify minimum sensor spectral requirements necessary for certain aquatic applications. Further, I will touch on how we envision this research to enable the aquatic community for science discovery and how we are moving closer towards the capability for high-fidelity global analysis of aquatic ecosystems.

Jeremy Alan Kravitz↗
NASA NTRS1991

A cost-effective intelligent robotic system with dual-arm dexterous coordination and real-time vision

Dexterous coordination of manipulators based on the use of redundant degrees of freedom, multiple sensors, and built-in robot intelligence represents a critical breakthrough in development of advanced manufacturing technology. A cost-effective approach for achieving this new generation of robotics has been made possible by the unprecedented growth of the latest microcomputer and network systems. The resulting flexible automation offers the opportunity to improve the product quality, increase the reliability of the manufacturing process, and augment the production procedures for optimizing the utilization of the robotic system. Moreover, the Advanced Robotic System (ARS) is modular in design and can be upgraded by closely following technological advancements as they occur in various fields. This approach to manufacturing automation enhances the financial justification and ensures the long-term profitability and most efficient implementation of robotic technology. The new system also addresses a broad spectrum of manufacturing demand and has the potential to address both complex jobs as well as highly labor-intensive tasks. The ARS prototype employs the decomposed optimization technique in spatial planning. This technique is implemented to the framework of the sensor-actuator network to establish the general-purpose geometric reasoning system. The development computer system is a multiple microcomputer network system, which provides the architecture for executing the modular network computing algorithms. The knowledge-based approach used in both the robot vision subsystem and the manipulation control subsystems results in the real-time image processing vision-based capability. The vision-based task environment analysis capability and the responsive motion capability are under the command of the local intelligence centers. An array of ultrasonic, proximity, and optoelectronic sensors is used for path planning. The ARS currently has 18 degrees of freedom made up by two articulated arms, one movable robot head, and two charged coupled device (CCD) cameras for producing the stereoscopic views, and articulated cylindrical-type lower body, and an optional mobile base. A functional prototype is demonstrated.

Marzwell, Neville I.↗
NASA NTRS2002

Demonstrating Acquisition of Real-Time Thermal Data over Fires Utilizing UAVs

NASA-Ames Research Center, in collaboration with General Atomics Aeronautical Systems, Inc. has been developing real-time data acquisition and information delivery systems employing uninhabited aerial vehicle (UAV) technology for disaster mitigation and assessment demonstrations. Working in conjunction with the US Forest Service, a disaster community agency responsible for wildfire management and mitigation, we developed a large-scale wildfire demonstration called the First Response Experiment (FIRE). During that experiment in late summer 2001, the participants demonstrated the melding of innovative technologies such as UAV platforms, real-time data processing, and data telemetry for quick analysis of a disaster event. The General Atomics ALTUS UAV, the Airborne Infrared Disaster Assessment System (AIRDAS) and Over-The-Horizon (OTH) satellite data telemetry equipment were employed over a controlled burn to test the feasibility of a disaster monitoring and mitigation platform for hazardous duty. The ALTUS UAV was employed to demonstrate the long duration, altitude, and payload capability of unmanned platforms for acquiring disaster related data. The ALTUS has an operational altitude to 45,000 feet (13,700 in), with a flight duration of twenty-four hours and a payload capacity of over 300 lbs. (148.5 kg). This allows the platform to operate under the conditions that would be necessary for monitoring and mitigating disaster events throughout the Unites States. The four channel AIRDAS data (calibrated thermal infrared digital imagery of the fire event) was sent from the ALTUS UAV via a satellite communications system (NERA transponder and INMARSAT satellite) to a data archive server and an image processing work station at NASA-Ames Research Center, 400 miles away.

Wegener, Steven S.↗
NASA NTRS2004

Process for thermal imaging scanning of a swaged heater for an anode subassembly of a hollow cathode assembly

A process for thermal imaging scanning of a swaged heater of an anode subassembly of a hollow cathode assembly, comprising scanning a swaged heater with a thermal imaging radiometer to measure a temperature distribution of the heater; raising the current in a power supply to increase the temperature of the swaged heater; and measuring the swaged heater temperature using the radiometer, whereupon the temperature distribution along the length of the heater shall be less than plus or minus 5 degrees C.

Patterson, Michael J.↗
NASA NTRSDate not supplied

SWIPE: Spectral Water Inversion Processor and Emulator

Degradation of Earth’s inland water resources due to anthropogenic perturbations and climate anomalies at both local and global scales continues to place human health at substantial risk. There is now a growing necessity to develop pragmatic approaches that allow timely and effective extrapolation of local processes, to spatially resolved global products, and to promote operational and sustainable resource policy management. This presentation will be discussing the progress made developing SWIPE: Spectral Water Inversion Processor and Emulator. SWIPE is a platform for advanced modeling of coastal and inland aquatic habitats. The goal is create a comprehensive and cohesive system to leverage recent advancements in computation and machine learning to develop a synthetic training ground for sensitivity studies and algorithm development. The four principal facets of SWIPE include: 1. Advanced two-layer coated sphere bio-optical modeling and GPU radiative transfer modeling, 2. Big Data involving massive synthetic spectral libraries of optical properties of various global aquatic particles, surface reflectance, and top-of-atmosphere reflectance, all at hyperspectral resolution leveraging high-end computing systems at NASA Ames Research Center, 3. Deep Learning for algorithm development for water quality inversion of concentrations of common biogeophysical variables as well as optics, full uncertainty characterization by water type, and forward emulation, and lastly, 4. Image Processing for application of developed retrieval algorithms for both hyperspectral and multispectral sensors with experimental corrections for global adjacency, noise, sunglint, and benthic reflectance. This presentation will demonstrate the Equivalent Algal Populations (EAP) two-layer coated sphere scattering model which has been used develop spectral libraries of hyperspectral inherent optical properties of roughly 80 species of phytoplankton, covering 15 different classes and nine taxonomic functional types. The EAP model was also used to derive spectral properties of 10 different non-algal particle functional types. Examples of how the SMART-G (Speed-up Monte-carlo Advanced Radiative Transfer using GPU) radiative transfer code is used to model optically complex aquatic signals will be presented and discussed in the context of creating a massive synthetic database which can leverage the full power of next generation machine learning techniques and high end computing for water quality inversion. We will discuss our active investigation in things like appropriate model architectures, dimensionality reduction techniques such as PCA and autoencoders, uncertainty quantification and abstaining, and which variables actually benefit most from hyperspectral information versus multispectral resolution. We are also curious about questions relating to cost/benefit analysis in terms of computation resources, neural network complexity, and data volumes. Answers to these questions will hopefully elaborate on cost efficiency for potential future sensor design considerations.

SWIPE↗
DOE OSTI2020

Microstructure Experiments-Enabled MARMOT Simulations of SiC/SiC-based Accident Tolerant Nuclear Fuel System

We have undertaken an experimental-computational project that addresses a few key technology gaps associated with the use of SiC/SiC composites for light water reactor fuel cladding. Two principal endeavors in this project are to assess the irradiation-induced microstructural changes and swelling in SiC/SiC composites, and to characterize and model the porous oxide surface layer (when exposed to steam) along SiC recession that is detrimental to the clad integrity under accident conditions. The project tasks are: (i) ion irradiation and characterization (University of Tennessee, Knoxville), (ii) mechanical tests and analysis (University of South Carolina), (iii) steam exposure tests (Oak Ridge National Laboratory), (iv) electron microscopy and spectroscopic characterization (NC State University), (v) x-ray microscopy and reconstruction (University of South Carolina and NC State University), (vi) phase field modeling and simulations (NC State University and Idaho National Laboratory). The effects of 10 MeV Au ion irradiation at 350°C on the microstructure evolution in SiC/SiC composites are investigated at doses up to 400 displacements per atom (dpa) at the University of Tennessee, Knoxville. Atomic force microscopy and optical profilometry reveal irradiation induced axial and radial shrinkage of the fibers for doses greater than 10 dpa. Based on detailed electron microscopy characterization, the primary cause of the fiber shrinkage is attributed to irradiation-induced loss of carbon packets. Additionally, the multilayer PyC interface is observed to portray high resistance to irradiation damage. The mechanical response and failure mechanisms of un-irradiated samples is also assessed through loading tests and X-ray imaging at the University of South Carolina. Steam exposure tests are performed at the Oak Ridge National Laboratory in a facility that represents a reactor pressure vessel under a loss-of-coolant-accident scenario. The samples that are analyzed methodically in this report are tested for 32/31 hours at 1200°C with a velocity of 0.25 cm/s for the pressures: 0.1 MPa, 0.45 MPa, 0.92 MPa and 1.38 MPa. Scanning/transmission electron microscopy analysis conducted at the NC State University (NCSU) shows that the oxide layer thickness increases with the steam pressure. While the oxide layer is crystalline (α- cristobalite) for the pressures 0.45 MPa, 0.92 MPa and 1.38 MPa, the layer is amorphous at 0.1 MPa. Results from Raman spectroscopy have also confirmed the formation of α-cristobalite phase of SiO₂. The abrupt increase in the integrated Raman intensity ratio between steam pressures 0.1 and 0.45 MPa suggests the onset of accelerated crystallization. Non-destructive three dimensional X-ray microscopy/tomography (XCT) and computational image processing techniques are employed by the University of South Carolina to probe the porous oxidation features on SiC samples at varying pressures. Interestingly, most pores are observed to be located away from the surface as well as the oxide-SiC interface. The average oxide layer thickness assessed from the XCT analysis is seen to be in excellent agreement with the values determined through scanning electron microscopy analysis for the highest pressures where the oxide layer is relatively more uniform. A phase-field model developed by the NC State University and Idaho National Laboratory for simulating oxidation of SiC by steam captures the paralinear kinetics of SiC oxidation with a high degree of fidelity. Results from quasi-one-dimensional and two dimensional simulations show that the pores with oxidizing species lead to a higher volatilization rate. These simulations indicate that the enhanced apparent volatilization rates at higher pressures observed in experiments can be rationalized by the increased volatilization from the pores. The project team has also successfully developed the capability to import images from experiments for realistic evolution of the oxidizing microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Sub-10 second fly-scan nano-tomography using machine learning

Abstract X-ray computed tomography is a versatile technique for 3D structure characterization. However, conventional reconstruction algorithms require that the sample not change throughout the scan, and the timescale of sample dynamics must be longer than the data acquisition time to fulfill the stable sample requirement. Meanwhile, concerns about X-ray-induced parasite reaction and sample damage have driven research efforts to reduce beam dosage. Here, we report a machine-learning-based image processing method that can significantly reduce data acquisition time and X-ray dose, outperforming conventional approaches like Filtered-Back Projection, maximum-likelihood, and model-based maximum-a-posteriori probability. Applying machine learning, we achieve ultrafast nano-tomography with sub-10 second data acquisition time and sub-50 nm pixel resolution in a transmission X-ray microscope. We apply our algorithm to study dynamic morphology changes in a lithium-ion battery cathode under a heating rate of 50 o C min −1 , revealing crack self-healing during thermal annealing. The proposed method can be applied to various tomography modalities.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Scalable Parallel Hypergraph Generator (HyGen)

Graphs are extensively used to model real-world complex systems. An edge in a graph can model pairwise relationships. However, multiway relationships (connections between three or more vertices) are common in many complex systems such as cellular process, image segmentation, and circuit design. A graph edge cannot model multiway relationships. A hypergraph, which can connect more than two vertices, is thus a better option to model multiway relationships. A large-scale hypergraph analysis has the potential to find useful insights from a complex system and assist in knowledge discovery. Currently a limited number of hypergraphs exists that are representative of real-world datasets. Moreover, real-world hypergraph datasets are small in size and inadequate to incorporate future needs. A graph generator that can produce large-scale synthetic hypergraphs can solve the above mentioned problems. In this paper, we present a scalable parallel hypergraph generator (HyGen) based on the Message Passing Interface (MPI) standard. To generate hypergraphs, HyGen takes the following parameter values as inputs: i) number of vertices, ii) number of hyperedges, iii) number of clusters, iv) vertex distribution, v) hyperedge distribution, vi) local cluster cardinality, and vii) global cluster cardinality. We have demonstrated that HyGen can generate hypergraphs of various sizes in a scalable fashion. HyGen takes approximately four minutes to generate a hypergraph with 4.8 million vertices, 1.6 million hyperedges, and 800 clusters using 1,024 processes on a leadership class computing platform. Our strong and weak scaling experiments on supercomputers demonstrate that HyGen can quickly create large-scale hypergraphs in a parallel manner, thus providing a useful capability for hypergraph analysis.

Hasan, S M Shamimul↗
NASA NTRS1988

Spatial vision processes: From the optical image to the symbolic structures of contour information

The significance of machine and natural vision is discussed together with the need for a general approach to image acquisition and processing aimed at recognition. An exploratory scheme is proposed which encompasses the definition of spatial primitives, intrinsic image properties and sampling, 2-D edge detection at the smallest scale, the construction of spatial primitives from edges, and the isolation of contour information from textural information. Concepts drawn from or suggested by natural vision at both perceptual and physiological levels are relied upon heavily to guide the development of the overall scheme. The scheme is intended to provide a larger context in which to place the emerging technology of detector array focal-plane processors. The approach differs from many recent efforts in edge detection and image coding by emphasizing smallest scale edge detection as a foundation for multi-scale symbolic processing while diminishing somewhat the importance of image convolutions with multi-scale edge operators. Cursory treatments of information theory illustrate that the direct application of this theory to structural information in images could not be realized.

Jobson, Daniel J.↗
NASA NTRS1992

Fortran for the nineties

Fortran has largely enjoyed prominence for the past few decades as the computer programming language of choice for numerically intensive scientific, engineering, and process control applications. Fortran's well understood static language syntax has allowed resulting parsers and compiler optimizing technologies to often generate among the most efficient and fastest run-time executables, particularly on high-end scalar and vector supercomputers. Computing architectures and paradigms have changed considerably since the last ANSI/ISO Fortran release in 1978, and while FORTRAN 77 has more than survived, it's aged features provide only partial functionality for today's demanding computing environments. The simple block procedural languages have been necessarily evolving, or giving way, to specialized supercomputing, network resource, and object-oriented paradigms. To address these new computing demands, ANSI has worked for the last 12-years with three international public reviews to deliver Fortran 90. Fortran 90 has superseded and replaced ISO FORTRAN 77 internationally as the sole Fortran standard; while in the US, Fortran 90 is expected to be adopted as the ANSI standard this summer, coexisting with ANSI FORTRAN 77 until at least 1996. The development path and current state of Fortran will be briefly described highlighting the many new Fortran 90 syntactic and semantic additions which support (among others): free form source; array syntax; new control structures; modules and interfaces; pointers; derived data types; dynamic memory; enhanced I/O; operator overloading; data abstraction; user optional arguments; new intrinsics for array, bit manipulation, and system inquiry; and enhanced portability through better generic control of underlying system arithmetic models. Examples from dynamical astronomy, signal and image processing will attempt to illustrate Fortran 90's applicability to today's general scalar, vector, and parallel scientific and engineering requirements and object oriented programming paradigms. Time permitting, current work proceeding on the future development of Fortran 2000 and collateral standards will be introduced.

Himer, J. T.↗
DOE OSTI2020

Phase-contrast 3D tomography of HeLa cells grown in PLLA polymer electrospun scaffolds using synchrotron X-rays

Advanced imaging is useful for understanding the three-dimensional (3D) growth of cells. X-ray tomography serves as a powerful noninvasive, nondestructive technique that can fulfill these purposes by providing information about cell growth within 3D platforms. There are a limited number of studies taking advantage of synchrotron X-rays, which provides a large field of view and suitable resolution to image cells within specific biomaterials. In this study, X-ray synchrotron radiation microtomography at Diamond Light Source and advanced image processing were used to investigate cellular infiltration of HeLa cells within poly L-lactide (PLLA) scaffolds. This study demonstrates that synchrotron X-rays using phase contrast is a useful method to understand the 3D growth of cells in PLLA electrospun scaffolds. Two different fiber diameter (2 and 4 µm) scaffolds with different pore sizes, grown over 2, 5 and 8 days in vitro , were examined for infiltration and cell connectivity. After performing visualization by segmentation of the cells from the fibers, the results clearly show deeper cell growth and higher cellular interconnectivity in the 4 µm fiber diameter scaffold. Finally, this indicates the potential for using such 3D technology to study cell–scaffold interactions for future medical use.

3D culture↗
NASA NTRS2013

A System for Measuring the Sway of the Vehicle Assembly Building

A system was developed to measure the sway of the Vehicle Assembly Building (VAB) at Kennedy Space Center. This system was installed in the VAB and gathered more than one total year of data. The building movement was correlated with measurements provided by three wind towers in order to determine the maximum deflection of the building during high-wind events. The VAB owners were in the process of obtaining new platforms for use in assembling very tall rockets when analysis of the VAB showed that a high wind could move the building sufficiently that an upper platform might impact a rocket. The problem arises because safety requires a relatively small gap between the platform and the rocket, while a large enough gap is needed to ensure that stacking tolerances prevent contact between the rocket and the platform. This only leaves an inch or two (approximately 2 to 5 cm) of total clearance, so when the analysis showed that more than a couple of inches of motion could occur in a high wind, there was a potential for damaging the rocket. The KSC Applied Physics Laboratory was asked to install a system in the VAB that could measure the motion of the building in high winds to determine the actual building sway. The motion of the VAB roof under wind load was measured optically, and under analysis, it was determined that a relatively large-aperture optical system would be required to reduce diffraction effects to less than a small fraction of an inch (approximately mm) at a distance of 500 ft (≈150 m). A 10-in. (approximately 250 mm) telescope was placed on the floor of the building, looking at the ceiling. On the ceiling, a flat plate with three white LEDs was mounted in an "L" shape, such that the telescope was essentially looking at three stars. Software was written to track the motion of these three points using an image processing system. This provided a better than 1/10-in. (approximately 2.5-mm) 2D measurement faster than once a second. Data was downloaded once a month for comparison with the wind tower data. The system was fully operational and provided enough data to show that the VAB will only move 1 in. (approximately 2.5 cm) at the ceiling under 70-knot winds. Adjustable platforms are not required.

Youngquist, Robert↗
NASA NTRS2003

A Fast Implementation of the ISOCLUS Algorithm

Unsupervised clustering is a fundamental tool in numerous image processing and remote sensing applications. For example, unsupervised clustering is often used to obtain vegetation maps of an area of interest. This approach is useful when reliable training data are either scarce or expensive, and when relatively little a priori information about the data is available. Unsupervised clustering methods play a significant role in the pursuit of unsupervised classification. One of the most popular and widely used clustering schemes for remote sensing applications is the ISOCLUS algorithm, which is based on the ISODATA method. The algorithm is given a set of n data points (or samples) in d-dimensional space, an integer k indicating the initial number of clusters, and a number of additional parameters. The general goal is to compute a set of cluster centers in d-space. Although there is no specific optimization criterion, the algorithm is similar in spirit to the well known k-means clustering method in which the objective is to minimize the average squared distance of each point to its nearest center, called the average distortion. One significant feature of ISOCLUS over k-means is that clusters may be merged or split, and so the final number of clusters may be different from the number k supplied as part of the input. This algorithm will be described in later in this paper. The ISOCLUS algorithm can run very slowly, particularly on large data sets. Given its wide use in remote sensing, its efficient computation is an important goal. We have developed a fast implementation of the ISOCLUS algorithm. Our improvement is based on a recent acceleration to the k-means algorithm, the filtering algorithm, by Kanungo et al.. They showed that, by storing the data in a kd-tree, it was possible to significantly reduce the running time of k-means. We have adapted this method for the ISOCLUS algorithm. For technical reasons, which are explained later, it is necessary to make a minor modification to the ISOCLUS specification. We provide empirical evidence, on both synthetic and Landsat image data sets, that our algorithm's performance is essentially the same as that of ISOCLUS, but with significantly lower running times. We show that our algorithm runs from 3 to 30 times faster than a straightforward implementation of ISOCLUS. Our adaptation of the filtering algorithm involves the efficient computation of a number of cluster statistics that are needed for ISOCLUS, but not for k-means.

Memarsadeghi, Nargess↗
DOE OSTI2022

Quantitative spatiotemporal mapping of thermal runaway propagation rates in lithium-ion cells using cross-correlated Gabor filtering

Abuse testing of lithium-ion batteries is widely performed in order to develop new safety standards and strategies. However, testing methodologies are not standardised across the research community, especially with failure mechanisms being inherently difficult to reproduce. High-speed X-ray radiography is proven to be a valuable tool to capture events occurring during cell failure, but the observations made remain largely qualitative. We have therefore developed a robust image processing toolbox that can quantify, for the first time, the rate of propagation of battery failure mechanisms revealed by high-speed X-ray radiography. Using Gabor filter, the toolbox selectively tracks the electrode structure at the onset of failure. This facilitated the estimation of the displacement of electrodes undergoing abuse via nail penetration, and also the tracking of objects, such as the nail, as it propagates through a cell. Further, by cross-correlating the Gabor signals, we have produced practical, illustrative spatiotemporal maps of the failure events. From these, we can quantify the propagation rates of electrode displacement prior to the onset of thermal runaway. The highest recorded acceleration (≈514 mm s -2 ) was when a nail penetrated a cell radially (perpendicular to the electrodes) as opposed to axially (parallel to the electrodes). The initiation of thermal runaway was also resolved in combination with electrode displacement, which occurred at a lower acceleration (≈108 mm s -2 ). Our assistive toolbox can also be used to study other types of failure mechanisms, extracting otherwise unattainable kinetic data. Ultimately, this tool can be used to not only validate existing theoretical mechanical models, but also standardise battery failure testing procedures.

25 ENERGY STORAGE↗
NASA NTRS2013

A Combined Very Large Telescope and Gemini Study of the Atmosphere of the Directly Imaged Planet, Beta Pictoris b

We analyze new/archival VLT/NaCo and Gemini/NICI high-contrast imaging of the young, self-luminous planet Beta Pictoris b in seven near-to-mid IR photometric filters, using advanced image processing methods to achieve high signal-to-noise, high precision measurements. While Beta Pic b's near-IR colors mimic those of a standard, cloudy early-to-mid L dwarf, it is overluminous in the mid-infrared compared to the field L/T dwarf sequence. Few substellar/planet-mass objects-i.e., κ And b and 1RXJ 1609B-match Beta Pic b's JHKsL photometry and its 3.1 micron and 5 micron photometry are particularly difficult to reproduce. Atmosphere models adopting cloud prescriptions and large (approx. 60 micron)dust grains fail to reproduce the Beta Pic b spectrum. However, models incorporating thick clouds similar to those found forHR8799 bcde, but also with small (a fewmicrons) modal particle sizes, yield fits consistent with the data within the uncertainties. Assuming solar abundance models, thick clouds, and small dust particles (a = 4 micron), we derive atmosphere parameters of log(g) = 3.8 +/- 0.2 and Teff = 1575-1650 K, an inferred mass of 7+4 −3 MJ, and a luminosity of log(L/L) approx. −3.80 +/- 0.02. The best-estimated planet radius, is approx. equal to 1.65 +/- 0.06 RJ, is near the upper end of allowable planet radii for hot-start models given the host star's age and likely reflects challenges constructing accurate atmospheric models. Alternatively, these radii are comfortably consistent with hot-start model predictions if Beta Pic b is younger than is approx. equal to 7 Myr, consistent with a late formation well after its host star's birth approx. 12+8 −4 Myr ago.

overluminous↗
DOE OSTI2023

Molecular Simulations of the Chain Length Dependent Adsorption of C7‐C14 n ‐Alkanes in ZIF‐8

Recent experiments show that the diffusivities of C8 and C10 n-alkanes in ZIF-8 are higher than those of C7 and C9, respectively. We investigated this unusual ‘odd-even' effect by simulating the adsorption of C7-C14 n-alkanes in ZIF-8 using hybrid Monte Carlo molecular simulations. The resultant adsorption isotherms, guest-host energies, isosteric heats, and chain length distributions are analyzed for trends among the n-alkanes. ZIF-8 cages filled with n-alkanes are characterized using a combination of image processing and data science to quantify the differences in packing that occur with chain length. In conclusion, results indicate that packing changes drastically from C7 to C8 and from C9 to C10, which is consistent with the diffusion trends previously reported in experiments.

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

Fractal Scaling of Explosively Driven Product Gases

ABSTRACT Characterization of the interface between explosive product gases and ambient air in an explosion is a complicated task due to the turbulent mixing and inherently three‐dimensional expansion of the interface. This study aims to quantify the evolution of the interface as a temporally varying Hausdorff dimension. Two test series were conducted with Composition C‐4 charges with masses of 105 and 880 g. Imaging data were collected from the time of detonation until shock wave detachment using ultra‐high‐speed cameras. Gas cloud profiles were extracted using automated image processing algorithms, and the Hausdorff dimension of these two‐dimensional slices of the gas cloud was then estimated using boxcounting algorithms. When scaled with standard gas dynamic nondimensional scalings, the Hausdorff dimension of all explosive events appears to collapse towards a single curve. The fireball was initially nonfractal and began to develop fractal properties as the shock wave separated from the detonation products. Artificial perturbation of the charged surface had no detectable impact on the evolution of the Hausdorff dimension in the early development of the fireball outside of error, despite visible phenomenological differences in the early development of mixing on the fireball surface.

42 ENGINEERING↗
DOE OSTI2025

Innovative Method for Reliable Measurement of PEM Water Electrolyzer Component Resistances

Understanding the sheet resistance of porous electrodes is essential for improving the performance of polymer electrolyte membrane (PEM) water electrolyzers and related technologies. Despite its importance, existing methods often fail to provide reliable and comprehensive data, especially for porous materials with complex morphologies and non‐uniform thicknesses. This study introduces a robust and straightforward method for determining the sheet resistance of porous electrodes using a novel probe concept based on industrial printed circuit board (PCB) technology. This probe measures resistance across ten distances, ranging from 250 µm to 2500 µm, enabling local mapping of resistance. The study focuses on the sheet resistance of key components in PEM water electrolyzers, including the gas diffusion layer (GDL), porous transport layer (PTL), and catalyst layers deposited on a membrane. Additionally, an image‐processing‐based method is presented to obtain the thickness distribution of the studied catalyst layers, facilitating a detailed analysis of the electrical in‐plane resistivity with thickness variations. Overall, this methodology has the potential to expedite material integration and bridge the gap between electrode engineering and single‐cell testing, thereby advancing the development of PEM water electrolyzers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗