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At least 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Meso-scale Instability Triggered by Dust Feedback in Dusty Rings: Origin and Observational Implications

High spatial resolution observations of protoplanetary disks by ALMA have revealed many substructures that are providing interesting constraints on disk physics as well as dust dynamics, both of which are essential for understanding planet formation. We carry out high-resolution, 2D global hydrodynamic simulations, including the effects of dust feedback, to study the stability of dusty rings. When the ring edges are relatively sharp and the dust surface density becomes comparable to the gas surface density, we find that dust feedback enhances the radial gradients of both the azimuthal velocity profile and the potential vorticity profile at the ring edges. This eventually leads to instabilities on meso-scales (spatial scales of several disk scale heights), causing dusty rings to be populated with many compact regions with highly concentrated dust densities. We also produce synthetic dust emission images using our simulation results and discuss the comparison between simulations and observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Mahakala: A Python-based Modular Ray-tracing and Radiative Transfer Algorithm for Curved Spacetimes

We introduce Mahakala, a Python-based, modular, radiative ray-tracing code for curved spacetimes. We employ Google's JAX framework for accelerated automatic differentiation, which can efficiently compute Christoffel symbols directly from the metric, allowing the user to easily and quickly simulate photon trajectories through non-Kerr spacetimes. JAX also enables Mahakala to run in parallel on both CPUs and GPUs. Mahakala natively uses the Cartesian Kerr–Schild coordinate system, which avoids numerical issues caused by the pole in spherical coordinate systems. We demonstrate Mahakala's capabilities by simulating 1.3 mm wavelength images (the wavelength of Event Horizon Telescope observations) of general relativistic magnetohydrodynamic simulations of low-accretion rate supermassive black holes. The modular nature of Mahakala allows us to quantitatively explore how different regions of the flow influence different image features. We show that most of the emission seen in 1.3 mm images originates close to the black hole and peaks near the photon orbit. We also quantify the relative contribution of the disk, forward jet, and counterjet to 1.3 mm images.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-J-76: Incorporation of Ultrasound Elastography in Target Volume Delineation for Partial Breast Radiotherapy Planning: A Comparative Study

Purpose: There is substantial observer variability in the delineation of target volumes for post-surgical partial breast radiotherapy because the tumour bed has poor x-ray contrast. This variability may result in substantial variations in planned dose distribution. Ultrasound elastography (USE) has an ability to detect mechanical discontinuities and therefore, the potential to image the scar and distortion in breast tissue architecture. The goal of this study was to compare USE techniques: strain elastography (SE), shear wave elastography (SWE) and acoustic radiation force impulse (ARFI) imaging using phantoms that simulate features of the tumour bed, for the purpose of incorporating USE in breast radiotherapy planning. Methods: Three gelatine-based phantoms (10% w/v) containing: a stiff inclusion (gelatine 16% w/v) with adhered boundaries, a stiff inclusion (gelatine 16% w/v) with mobile boundaries and fluid cavity inclusion (to mimic seroma), were constructed and used to investigate the USE techniques. The accuracy of the elastography techniques was quantified by comparing the imaged inclusion with the modelled ground-truth using the Dice similarity coefficient (DSC). For two regions of interest (ROI), the DSC measures their spatial overlap. Ground-truth ROIs were modelled using geometrical measurements from B-mode images. Results: The phantoms simulating stiff scar tissue with adhered and mobile boundaries and seroma were successfully developed and imaged using SE and SWE. The edges of the stiff inclusions were more clearly visible in SE than in SWE. Subsequently, for all these phantoms the measured DSCs were found to be higher for SE (DSCs: 0.91–0.97) than SWE (DSCs: 0.68–0.79) with an average relative difference of 23%. In the case of seroma phantom, DSC values for SE and SWE were similar. Conclusion: This study presents a first attempt to identify the most suitable elastography technique for use in breast radiotherapy planning. Further analysis will include comparison of ARFI with SE and SWE. This work is supported by the EPSRC Platform Grant, reference number EP/H046526/1.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2011

Assessment of NASA's Physiographic and Meteorological Datasets as Input to HSPF and SWAT Hydrological Models

This paper documents the use of simulated Moderate Resolution Imaging Spectroradiometer land use/land cover (MODIS-LULC), NASA-LIS generated precipitation and evapo-transpiration (ET), and Shuttle Radar Topography Mission (SRTM) datasets (in conjunction with standard land use, topographical and meteorological datasets) as input to hydrological models routinely used by the watershed hydrology modeling community. The study is focused in coastal watersheds in the Mississippi Gulf Coast although one of the test cases focuses in an inland watershed located in northeastern State of Mississippi, USA. The decision support tools (DSTs) into which the NASA datasets were assimilated were the Soil Water & Assessment Tool (SWAT) and the Hydrological Simulation Program FORTRAN (HSPF). These DSTs are endorsed by several US government agencies (EPA, FEMA, USGS) for water resources management strategies. These models use physiographic and meteorological data extensively. Precipitation gages and USGS gage stations in the region were used to calibrate several HSPF and SWAT model applications. Land use and topographical datasets were swapped to assess model output sensitivities. NASA-LIS meteorological data were introduced in the calibrated model applications for simulation of watershed hydrology for a time period in which no weather data were available (1997-2006). The performance of the NASA datasets in the context of hydrological modeling was assessed through comparison of measured and model-simulated hydrographs. Overall, NASA datasets were as useful as standard land use, topographical , and meteorological datasets. Moreover, NASA datasets were used for performing analyses that the standard datasets could not made possible, e.g., introduction of land use dynamics into hydrological simulations

Alacron, Vladimir J.↗
DOE OSTI2017

Silicon nanoparticles as contrast agents in the methods of optical biomedical diagnostics

The efficiency of light scattering by nanoparticles formed using the method of picosecond laser ablation of silicon in water and by nanoparticles of mechanically grinded mesoporous silicon is compared. The ensembles of particles of both types possess the scattering coefficients sufficient to use them as contrast agents in optical coherence tomography (OCT), particularly in the range of wavelengths 700 – 1000 nm, where the absorption of both silicon and most biological and mimicking tissues is small. According to the Mie theory the main contribution to the scattering in this case is made by the particles having a relatively large size (150 – 300 nm). In the experiments on visualising the agar phantom surface by means of OCT, the contrast of the medium boundary, provided by nanoparticles amounted to 14 dB and 30 dB for the ablated particles and the porous silicon powder, respectively. The numerical simulation of OCT images of skin in the presence of nanoparticles, confirmed the efficiency of using them as a contrast agent. (nanoparticles)

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2013

Generation of first hard X-ray pulse at Tsinghua Thomson Scattering X-ray Source

Tsinghua Thomson Scattering X-ray Source (TTX) is the first-of-its-kind dedicated hard X-ray source in China based on the Thomson scattering between a terawatt ultrashort laser and relativistic electron beams. In this paper, we report the experimental generation and characterization of the first hard X-ray pulses (51.7 keV) via head-on collision of an 800 nm laser and 46.7 MeV electron beams. The measured yield is 1.0 Multiplication-Sign 10{sup 6} per pulse with an electron bunch charge of 200 pC and laser pulse energy of 300 mJ. The angular intensity distribution and energy spectra of the X-ray pulse are measured with an electron-multiplying charge-coupled device using a CsI scintillator and silicon attenuators. These measurements agree well with theoretical and simulation predictions. An imaging test using the X-ray pulse at the TTX is also presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

SU-E-J-154: Image Quality Assessment of Contrast-Enhanced 4D-CT for Pancreatic Adenocarcinoma in Radiotherapy Simulation

Purpose: This study presents quantitative and qualitative assessment of the image qualities in contrast-enhanced (CE) 3D-CT, 4D-CT and CE 4D-CT to identify feasibility for replacing the clinical standard simulation with a single CE 4D-CT for pancreatic adenocarcinoma (PDA) in radiotherapy simulation. Methods: Ten PDA patients were enrolled and underwent three CT scans: a clinical standard pair of CE 3D-CT immediately followed by a 4D-CT, and a CE 4D-CT one week later. Physicians qualitatively evaluated the general image quality and regional vessel definitions and gave a score from 1 to 5. Next, physicians delineated the contours of the tumor (T) and the normal pancreatic parenchyma (P) on the three CTs (CE 3D-CT, 50% phase for 4D-CT and CE 4D-CT), then high density areas were automatically removed by thresholding at 500 HU and morphological operations. The pancreatic tumor contrast-to-noise ratio (CNR), signal-tonoise ratio (SNR) and conspicuity (C, absolute difference of mean enhancement levels in P and T) were computed to quantitatively assess image quality. The Wilcoxon rank sum test was used to compare these quantities. Results: In qualitative evaluations, CE 3D-CT and CE 4D-CT scored equivalently (4.4±0.4 and 4.3±0.4) and both were significantly better than 4D-CT (3.1±0.6). In quantitative evaluations, the C values were higher in CE 4D-CT (28±19 HU, p=0.19 and 0.17) than the clinical standard pair of CE 3D-CT and 4D-CT (17±12 and 16±17 HU, p=0.65). In CE 3D-CT and CE 4D-CT, mean CNR (1.8±1.4 and 1.8±1.7, p=0.94) and mean SNR (5.8±2.6 and 5.5±3.2, p=0.71) both were higher than 4D-CT (CNR: 1.1±1.3, p<0.3; SNR: 3.3±2.1, p<0.1). The absolute enhancement levels for T and P were higher in CE 4D-CT (87, 82 HU) than in CE 3D-CT (60, 56) and 4DCT (53, 70). Conclusions: The individually optimized CE 4D-CT is feasible and achieved comparable image qualities to the clinical standard simulation. This study was supported in part by Philips Healthcare.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1991

Helicopter control response types for hover and low-speed near-earth tasks in degraded visual conditions

The NASA-Ames Vertical Motion Simulator and Dig 1 Computer Image Generator (CIG) have been used to simulate a helicopter cockpit in a degraded visual environment in order to assess several control-response types during low-level flight. CIG visibility was reduced to the point where the horizon and other far-field cues were indiscernible. The control-response types encompassed a rate command, an attitude command/hold, and a translational rate command; piloting tasks were hover, vertical landing, a pirouette, acceleration/deceleration, and a sidestep maneuver. Visual cue ratings with a rate-command response type were initially collected to set the usable cue environment at 3. A rate-command response type provided poor Level 2 handling qualities.

Blanken, Christopher L.↗
DOE OSTI2015

Synchronized multiartifact reduction with tomographic reconstruction (SMART-RECON): A statistical model based iterative image reconstruction method to eliminate limited-view artifacts and to mitigate the temporal-average artifacts in time-resolved CT

Purpose: In x-ray computed tomography (CT), a violation of the Tuy data sufficiency condition leads to limited-view artifacts. In some applications, it is desirable to use data corresponding to a narrow temporal window to reconstruct images with reduced temporal-average artifacts. However, the need to reduce temporal-average artifacts in practice may result in a violation of the Tuy condition and thus undesirable limited-view artifacts. In this paper, the authors present a new iterative reconstruction method, synchronized multiartifact reduction with tomographic reconstruction (SMART-RECON), to eliminate limited-view artifacts using data acquired within an ultranarrow temporal window that severely violates the Tuy condition. Methods: In time-resolved contrast enhanced CT acquisitions, image contrast dynamically changes during data acquisition. Each image reconstructed from data acquired in a given temporal window represents one time frame and can be denoted as an image vector. Conventionally, each individual time frame is reconstructed independently. In this paper, all image frames are grouped into a spatial–temporal image matrix and are reconstructed together. Rather than the spatial and/or temporal smoothing regularizers commonly used in iterative image reconstruction, the nuclear norm of the spatial–temporal image matrix is used in SMART-RECON to regularize the reconstruction of all image time frames. This regularizer exploits the low-dimensional structure of the spatial–temporal image matrix to mitigate limited-view artifacts when an ultranarrow temporal window is desired in some applications to reduce temporal-average artifacts. Both numerical simulations in two dimensional image slices with known ground truth and in vivo human subject data acquired in a contrast enhanced cone beam CT exam have been used to validate the proposed SMART-RECON algorithm and to demonstrate the initial performance of the algorithm. Reconstruction errors and temporal fidelity of the reconstructed images were quantified using the relative root mean square error (rRMSE) and the universal quality index (UQI) in numerical simulations. The performance of the SMART-RECON algorithm was compared with that of the prior image constrained compressed sensing (PICCS) reconstruction quantitatively in simulations and qualitatively in human subject exam. Results: In numerical simulations, the 240{sup ∘} short scan angular span was divided into four consecutive 60{sup ∘} angular subsectors. SMART-RECON enables four high temporal fidelity images without limited-view artifacts. The average rRMSE is 16% and UQIs are 0.96 and 0.95 for the two local regions of interest, respectively. In contrast, the corresponding average rRMSE and UQIs are 25%, 0.78, and 0.81, respectively, for the PICCS reconstruction. Note that only one filtered backprojection image can be reconstructed from the same data set with an average rRMSE and UQIs are 45%, 0.71, and 0.79, respectively, to benchmark reconstruction accuracies. For in vivo contrast enhanced cone beam CT data acquired from a short scan angular span of 200{sup ∘}, three 66{sup ∘} angular subsectors were used in SMART-RECON. The results demonstrated clear contrast difference in three SMART-RECON reconstructed image volumes without limited-view artifacts. In contrast, for the same angular sectors, PICCS cannot reconstruct images without limited-view artifacts and with clear contrast difference in three reconstructed image volumes. Conclusions: In time-resolved CT, the proposed SMART-RECON method provides a new method to eliminate limited-view artifacts using data acquired in an ultranarrow temporal window, which corresponds to approximately 60{sup ∘} angular subsectors.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1995

A Mars Rover Mission Simulation on Kilauea Volcano

A field experiment to simulate a rover mission on Mars was performed using the Russian Marsokhod rover deployed on Kilauea Volcano HI in February, 1995. A Russian Marsokhod rover chassis was equipped with American avionics equipment, stereo cameras on a pan and tilt platform, a digital high resolution body-mounted camera, and a manipulator arm on which was mounted a camera with a close-up lens. The six wheeled rover is 2 meters long and has a mass of 120 kg. The imaging system was designed to simulate that used on the planned "Mars Together" mission. The rover was deployed on Kilauea Volcano HI and operated from NASA Ames by a team of planetary geologists and exobiologists. Two modes of mission operations were simulated for three days each: (1) long time delay, low data bandwidth (simulating a Mars mission), and (2) live video, wide-bandwidth data (allowing active control simulating a Lunar rover mission or a Mars rover mission controlled from on or near the Martian surface). Simulated descent images (aerial photographs) were used to plan traverses to address a detailed set of science questions. The actual route taken was determined by the science team and the traverse path was frequently changed in response to the data acquired and to unforeseen operational issues. Traverses were thereby optimized to efficiently answer scientific questions. During the Mars simulation, the rover traversed a distance of 800 m. Based on the time delay between Earth and Mars, we estimate that the same operation would have taken 30 days to perform on Mars. This paper will describe the mission simulation and make recommendations about incorporating rovers into the Mars surveyor program.

Stoker, Carol↗
NASA NTRS1988

A new technique for measuring extragalactic distances

A relatively direct technique of determining extragalactic distances is described. The method relies on measuring the luminosity fluctuations that arise from the counting statistics of the stars contributing the flux in each pixel of a high signal-to-noise CCD image of a galaxy. The amplitude of these fluctuations is inversely proportional to the distance of the galaxy. This approach bypasses most of the successive stages of calibration required in the traditional extragalactic distance ladder; the only serious drawback to this method is that it requires an accurate knowledge of the bright end of the luminosity function. Potentially, this method can produce accurate distances of elliptical galaxies and spiral bulges at distances out to about 20 Mpc. In this paper, it is explained how to calculate the value of the fluctuations, taking into account various sources of contamination and the effects of finite spatial resolution, and the feasibility and limitations of this technique are demonstrated via simulations and CCD images of M 32 and N 3379.

Tonry, John↗
NASA NTRS1995

Remote sensing of flooding in the U.S. upper Midwest during the summer of 1993

The U.S. upper Midwest was subjected to severe flooding during the summer of 1993. Heavy rainfall in the Mississippi River basin from April through July caused flooding on many Midwest rivers, including the Mississippi, Illinois, Missouri, and Kansas Rivers. The flood crest of 15.1 m at St. Louis, Missouri, on 1 August 1993 was the highest ever measured, surpassing the previous record of 13.2 m set on 28 April 1973. Damage estimates include at least 47 flood-related deaths and a total damage cost of $12 billion. Remotely sensed imagery of severe flooding in the U.S. Midwest was obtained under cloud-free skies on 29 July 1993 by the MODIS (Moderate Resolution Imaging Spectroradiometer) Airborne Simulator (MAS). The MAS is a newly developed scanning spectrometer with 50 spectral bands in the wavelength range 0.55-14.3 micrometers. Estimation of the total flooded area in the MAS scene acquired near St. Louis was accomplished by comparing the MAS scene to a Landsat-5 thematic mapper (TM) scene of the same area acquired on 14 April 1984 in nonflood conditions. For comparison, the MAS band centered at 0.94 micrometers and the TM band centered at 1.65 micrometers were selected because of the high contrast seen in these bands between land and water-covered surfaces. An estimate of the area covered by water in the MAS and TM scenes was obtained by developing land/water brightness thresholds from histograms of the MAS and TM digital image data. Afetr applying the thresholds, the difference between the area covered by water in the MAS and TM scenes, and hence the flooded area in the MAS scene, was found to be about 396 sq km, or about 153 square miles.

Gumley, Liam E.↗
NASA NTRS1992

Advanced ballistic range technology

Experimental interferograms, schlieren, and shadow-graphs are routinely used for validating ideal- and real-gas computational fluid dynamics (CFD) codes. Interferograms are used for quantitative comparisons of integrated density. Schlieren and shadowgraphs are used for comparing the locations of flow field features; the types of flowfield features recorded in these images include shocks, shear layers, and expansion fans. By constructing images from flow field simulations, one-to-one comparisons of computation and experiment are possible. During the period from 1 May 1991 to 31 Jan. 1992, the emphasis of this research was on developing techniques for constructing these images from flow field simulations.

Yates, Leslie A.↗
DOE OSTI2018

Efficient Computational Modeling of Human Ventricular Activation and Its Electrocardiographic Representation: A Sensitivity Study

Patient-specific models of the ventricular myocardium, combined with the computational power to run rapid simulations, are approaching the level where they could be used for personalized cardiovascular medicine. A major remaining challenge is determining model parameters from available patient data, especially for models of the Purkinje-myocardial junctions (PMJs): the sites of initial ventricular electrical activation. There are no non-invasive methods for localizing PMJs in patients, and the relationship between the standard clinical ECG and PMJ model parameters is underexplored. Thus, this study aimed to determine the sensitivity of the QRS complex of the ECG to the anatomical location and regional number of PMJs. The QRS complex was simulated using an image-based human torso and biventricular model, and cardiac electrophysiology was simulated using Cardioid. The PMJs were modeled as discrete current injection stimuli, and the location and number of stimuli were varied within initial activation regions based on published experiments. Results indicate that the QRS complex features were most sensitive to the presence or absence of four “seed” stimuli, and adjusting locations of nearby “regional” stimuli provided finer tuning. Decreasing number of regional stimuli by an order of magnitude resulted in virtually no change in the QRS complex. Thus, a minimal 12-stimuli configuration was identified that resulted in physiological excitation, defined by QRS complex feature metrics and ventricular excitation pattern. In conclusion, overall, the sensitivity results suggest that parameterizing PMJ location, rather than number, be given significantly higher priority in future studies creating personalized ventricular models from patient-derived ECGs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

A robust synthetic data generation framework for machine learning in high-resolution transmission electron microscopy (HRTEM)

Machine learning techniques are attractive options for developing highly-accurate analysis tools for nanomaterials characterization, including high-resolution transmission electron microscopy (HRTEM). However, successfully implementing such machine learning tools can be difficult due to the challenges in procuring sufficiently large, high-quality training datasets from experiments. In this work, we introduce Construction Zone, a Python package for rapid generation of complex nanoscale atomic structures which enables fast, systematic sampling of realistic nanomaterial structures and can be used as a random structure generator for large, diverse synthetic datasets. Using Construction Zone, we develop an end-to-end machine learning workflow for training neural network models to analyze experimental atomic resolution HRTEM images on the task of nanoparticle image segmentation purely with simulated databases. Further, we study the data curation process to understand how various aspects of the curated simulated data—including simulation fidelity, the distribution of atomic structures, and the distribution of imaging conditions—affect model performance across three benchmark experimental HRTEM image datasets. Using our workflow, we are able to achieve state-of-the-art segmentation performance on these experimental benchmarks and, further, we discuss robust strategies for consistently achieving high performance with machine learning in experimental settings using purely synthetic data. Construction Zone and its documentation are available at https://github.com/lerandc/construction_zone.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Active Learning Surrogates for Integrating Electron Microscopy and Computational Insights from Simulations in Autonomous Experiments

Artificial Intelligence (AI) combined with simulations and experiments has great potential to accelerate scientific discovery across technology and pharmaceuticals. However, the gap between simulations and experiments is challenging due to disparities in time and scale, making it difficult to estimate properties like energy and electronic states from experiments, and to provide feedback based on theoretical insights.Our research addresses the challenge by developing unique deep kernel based surrogate models that learns from microscopic images, mapping structural features to energy differences from defect formation. We start with full-training using simulated images to determine optimal settings, establishing a baseline for active learning. Using these settings from the baseline, active learning is trained, and predicts structures along simulation trajectories based on uncertainty and energetic stability, thus reducing data requirements, simulation time and computational costs. The results demonstrate that the model achieves a low average error margin of approximately 0.03 meV, indicating good performance. To enhance feature extraction and reconstruction capabilities, we developed an autoencoder-decoder as additional surrogate to create latent space to capture essential features, enabling precise comparisons between simulations and experiments. The results from this model achieved a reconstruction loss of around 0.2 and accurately reconstructed molecular structures.Overall, this work advances the steering of experiments through computational simulations by employing a surrogate models that actively predicts the trajectories of structural evolution, achieving time-to-solution comparable to experimental measurements.

Saranathan, Gayathri [Hewlett-Packard]↗
DOE OSTI2014

TH-C-BRD-11: Robustness of Pencil Beam Scanning Proton Therapy for Pelvic Cancer Under Anatomical Changes

Purpose: Pencil beam scanning (PBS) proton therapy provides excellent dosimetric benefits in pelvic cancer treatment, yet day-to-day anatomical variations in pelvic region tend to cause range uncertainties. This study evaluates the dosimetric robustness under anatomical changes for three PBS intensity-modulated proton therapy (IMPT), IMPT using worstcase robust optimization (thereafter ‘Robust IMPT’), and single-field uniform dose (SFUD), in cervical cancer treatment. Methods: IMPT, Robust IMPT, and SFUD plans using the same beam directions and the same prescription (Rx) were generated on computed tomography (CT) images acquired on the simulation day. The dose from each plan was then recomputed on CT images acquired in subsequent two to five weeks using the same protocol. The weekly CTs were registered to the planning CT based on bony anatomy. Target coverage was considered adequate on each weekly CT if dose to 99% of the internal target volume (D-ITV99%) reached at least 95% of the Rx dose. Statistical analysis was then performed on the 21 weekly CT images available for the 7 enrolled patients. Results: Statistically, IMPT was unable to maintain target coverage (mean D-ITV99% = 90.5% Rx, p = 0.004), and SFUD was able to maintain target coverage (mean D-ITV99% = 98.0% Rx, p = 0.0064), in the weeks following simulation. Robust IMPT was able to improve the robustness of IMPT significantly (p < 0.0001), though its maintenance of target coverage was not statistically significant by the 95% Rx criteria (mean D-ITV99% = 96.0%, p = 0.1677). Conclusion: During the multi-week treatment course with anatomical variations, SFUD is robust in terms of maintaining target coverage while IMPT is not. The worst-case optimized Robust IMPT, assuming ±3.5% range uncertainties, improves the robustness of IMPT under anatomical changes significantly, even though it was not designed to account for anatomical changes by mechanism.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Probing the Role of Multi-scale Heterogeneity in Graphite Electrodes for Extreme Fast Charging

Electrode-scale heterogeneity can combine with complex electrochemical interactions to impede lithium-ion battery performance, particularly during fast charging. This research investigates the influence of electrode heterogeneity at different scales on the lithium-ion battery electrochemical performance under operational extremes. We employ image-based mesoscale simulation in conjunction with a three-dimensional electrochemical model to predict performance variability in 14 graphite electrode X-ray computed tomography data sets. Our analysis reveals that the tortuous anisotropy stemming from the variable particle morphology has a dominating influence on the overall cell performance. Cells with platelet morphology achieve lower capacity, higher heat generation rates, and severe plating under extreme fast charge conditions. On the contrary, the heterogeneity due to the active material clustering alone has minimal impact. Our work suggests that manufacturing electrodes with more homogeneous and isotropic particle morphology will improve electrochemical performance and improve safety, enabling electromobility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗