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Towards Energy Scale Calibration and Drift Correction of TES Detectors for Athena X-IFU

The Athena X-Ray Integral Field Unit (X-IFU) comprises a 2376-pixel array of transition edge sensors (TES) read out with time-division multiplexing (TDM). X-IFU will provide spatially resolved, high-resolution spectroscopy (2.5 eV full-width-half-maximum up to 7 keV) over the energy range 0.2 to 12 keV, with an absolute energy scale accuracy of 0.4 eV. The energy scale function maps the optimally filtered pulse height, in arbitrary engineering units, to real calibrated energy. Uncertainties in the calibration can result from imperfect fitting of the energy scale between the known calibration points. Furthermore, temporal changes in the TES operating environment, such as heat-sink temperature, magnetic field and bias voltage, can cause significant variations in the detector gain function over time. If not properly corrected, this can result in degradation of the energy resolution, and systematic errors in the absolute energy scale. The non-linear nature of TES detectors, coupled with the possibility of multiple simultaneously occurring sources of drift, can make effective corrections over the full bandpass of the instrument extremely challenging. Athena X-IFU will employ an on-board calibration source that provides known reference x-ray lines. This provides real-time monitoring of the gain stability of the detector system and information that can be used to correct for gain drifts. For X-IFU the baseline approach is to measure a series of calibration curves under different environmental conditions, which bound the expected drifts the instrument is predicted to see over the course of the mission. Using the information from the in-flight calibration source, these energy scale functions can be interpolated to generate a new corrected energy scale as a function of time. In this paper we discuss progress towards demonstrating that the X-IFU energy scale requirements can be met. We present measurements on ~ 200 pixels in a prototype X-IFU array read out with 8-column x 32-row TDM. We use a rotating target source containing 12 fluorescent targets to generate x-ray lines covering the energy range 4 keV (Sc-Kα) to 12 keV (Br-Kα). We present measurements of the non-linear energy scale function and show how variations in heat-sink temperature, TES bias voltage and magnetic field affect the shape of TES energy scale differently and introduce different residual gain errors over the bandpass. We explore different drift correction algorithms that use either a single or multiple referential lines to track and correct the gain from these various sources of drift. In addition to the pulse-height, the DC ‘baseline’ level of the TES can contain information about its bias conditions. Thus, we test a multi-parameter gain correction algorithm that attempts to incorporate both the pulse height and the additional baseline information into the algorithm.

Stephen J Smith↗

DOE OSTI2020

Patterned anodes with sub-millimeter spatial resolution for large-area MCP-based photodetector systems

Micro-channel-plate-based photo-detectors are unique in being capable of covering very large areas such as those required in elementary particle and nuclear physics, while providing sub-millimeter space resolution, time resolutions of less than 10 picoseconds for charged particles, and time resolutions of 30 psec–50 psec for single photons. In such systems the electronic channel count is a major cost driver. Incorporating a capacitively-coupled anode allows the use of external pickup electrodes with patterns of individual channels optimized for occupancy, rate, and time/space resolution. The signal pickup antenna can be economically implemented as a printed circuit card with a 2-dimensional array of pads for high-occupancy/high-rate applications such as in particle colliders and medical imaging, or a 1-dimensional array of strips for a lower channel count in low-occupancy/low-rate applications such as large neutrino detectors. In this paper we present pad patterns that enhance signal-sharing between pads to lower the channel count per unit area in large-area systems by factors up to 4, while maintaining spatial resolutions of approximately 100 to 200 μ m for charged particles and 400 to 1000 μ m for single photons. Patterns that use multiple signal layers in the signal-pickup board can lower the channel count even further, moving the scaling behavior in the number of pads versus total area from quadratic to linear.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2014

Connecting Returned Apollo Soils and Remote Sensing: Application to the Diviner Lunar Radiometer

The Diviner Lunar Radiometer, onboard NASA's Lunar Reconnaissance Orbiter, has produced the first global, high resolution, thermal infrared observations of an airless body. The Moon, which is the most accessible member of this most abundant class of solar system objects, is also the only body for which we have extraterrestrial samples with known spatial context, returned Apollo samples. Here we present the results of a comprehensive study to reproduce an accurate simulated lunar environment, evaluate the most appropriate sample and measurement conditions, collect thermal infrared spectra of a representative suite of Apollo soils, and correlate them with Diviner observations of the lunar surface. It has been established previously that thermal infrared spectra measured in simulated lunar environment (SLE) are significantly altered from spectra measured under terrestrial or martian conditions. The data presented here were collected at the University of Oxford Simulated Lunar Environment Chamber (SLEC). In SLEC, we simulate the lunar environment by: (1) pumping the chamber to vacuum pressures (less than 10‐4 mbar) sufficient to simulate lunar heat transport processes within the sample, (2) cooling the chamber with liquid nitrogen to simulate radiation to the cold space environment, and (3) heating the samples with heaters and lamp to set‐up thermal gradients similar to those experienced in the upper hundreds of microns of the lunar surface. We then conducted a comprehensive suite of experiments using different sample preparation and heating conditions on Apollo soils 15071 (maria) and 67701 (highland) and compared the results to Diviner noontime data to select the optimal experimental conditions. This study includes thermal infrared SLE measurements of 10084 (A11 - LM), 12001 (A12 - LM), 14259 (A14 - LM), 15071 (A15 - S1), 15601 (A15 - S9a), 61141 (A16 - S1), 66031 (A16 - S6), 67701 (A16 - S11), and 70181 (A17 - LM). The Diviner dataset includes all six Apollo sites at approximately 200 m spatial resolution We find that analyses of Diviner observations of individual sampling stations and SLE measurements returned Apollo soils show good agreement, while comparisons to thermal infrared reflectance under ambient conditions do not agree well, which underscores the need for SLE measurements and validates the Diviner compositional measurement technique.

Greenhagen, B. T.↗

DOE OSTI2023

A Novel Spatial-Temporal Variational Quantum Circuit to Enable Deep Learning on NISQ Devices

Quantum computing presents a promising approach for machine learning with its capability for extremely parallel computation in high-dimension through superposition and entanglement. Despite its potential, existing quantum learning algorithms, such as Variational Quantum Circuits (VQCs), face challenges in handling more complex datasets, particularly those that are not linearly separable. What’s more, it encounters the deployability issue, making the learning models suffer a drastic accuracy drop after deploying them to the actual quantum devices. To overcome these limitations, this paper proposes a novel spatial-temporal design, namely “ST-VQC”, to integrate nonlinearity in quantum learning and improve the robustness of the learning model to noise. Specifically, ST-VQC can extract spatial features via a novel block-based encoding quantum sub-circuit coupled with a layer-wise computation quantum sub-circuit to enable temporal-wise deep learning. Additionally, a SWAP-Free physical circuit design is devised to improve robustness. These designs bring a number of hyperparameters. After a systematic analysis of the design space for each design component, an automated optimization framework is proposed to generate the ST-VQC quantum circuit. The proposed ST-VQC has been evaluated on two IBM quantum processors, ibm-cairo with 27 qubits and ibmq-lima with 7 qubits to assess its effectiveness. The results of the evaluation on the standard dataset for binary classification show that ST-VQC can achieve over 30% accuracy improvement compared with existing VQCs on actual quantum computers. Moreover, on a non-linear synthetic dataset, the STVQC outperforms a linear classifier by 27.9%, while the linear classifier using classical computing outperforms the existing VQC by 15.58%.

Li, Jinyang↗

DOE OSTI2025

Fast ion confinement in quasi-axisymmetric stellarator equilibria

This report presents an initial analysis of the fast ion confinement and losses within quasi-axisymmetric stellarator equilibria in consideration by Thea Energy. The equilibria have not yet been explicitly optimized for fast particle confinement and require validation. Modeling with the ASCOT5 code is used to directly examine the fast ion transport. The particle tracking simulations are purely (neo)classical in nature and simply contain the supplied equilibrium and collisions (pitch-angle, energy slowing, and velocity diffusion) from supplied thermal profiles. Uniform marker deposition is used to probe the general confinement properties of the equilibria while a realistic beam-born population is provided from the BEAMS3D code and an alpha particle population is calculated from a fusion source integrator. A first wall is included and defines the loss boundary. Analysis for NBI ions within Thea Energy’s conceptual Eos neutron source are presented along with alpha particles in an enlarged DT-plasma. The fast ions are assessed in regards to their confinement time, pitch, energy, and spatial coordinates. For each population, the impact of collisions and orbit drifts are discussed. It is found that NBI born ions in Eos are strongly confined until slowing-down, owing largely to the tangential injection geometry, while 22% of DT-born alpha energy is lost in the scaled device, indicating that any fusion pilot plant design optimization should include metrics for fast ion confinement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Optimizing quantification of MK6240 tau PET in unimpaired older adults

Accurate measurement of Alzheimer's disease (AD) pathology in older adults without significant clinical impairment is critical to assessing intervention strategies aimed at slowing AD-related cognitive decline. The U.S. Study to Protect Brain Health Through Lifestyle Intervention to Reduce Risk (POINTER) is a 2-year randomized controlled trial to evaluate the effect of multicomponent risk reduction strategies in older adults (60-79 years) who are cognitively unimpaired but at increased risk for cognitive decline/dementia due to factors such as cardiovascular disease and family history. The POINTER Imaging ancillary study is collecting tau-PET ([ 18 F]MK6240), beta-amyloid (Aβ)-PET ([ 18 F]florbetaben [FBB]) and MRI data to evaluate neuroimaging biomarkers of AD and cerebrovascular pathophysiology in this at-risk sample. Here 481 participants (70.0±5.0; 66% F) with baseline MK6240, FBB and structural MRI scans were included. PET scans were coregistered to the structural MRI which was used to create FreeSurfer-defined reference regions and target regions of interest (ROIs). We also created off-target signal (OTS) ROIs to examine the magnitude and distribution of MK6240 OTS across the brain as well as relationships between OTS and age, sex, and race. OTS was unimodally distributed, highly correlated across OTS ROIs and related to younger age and sex but not race. Aiming to identify an optimal processing approach for MK6240 that would reduce the influence of OTS, we compared our previously validated MRI-guided standard PET processing and 6 alternative approaches. The alternate approaches included combinations of reference region erosion and meningeal OTS masking before spatial smoothing as well as partial volume correction. To compare processing approaches we examined relationships between target ROIs (entorhinal cortex (ERC), hippocampus or a temporal meta-ROI (MetaROI)) SUVR and age, sex, race, Aβ and a general cognitive status measure, the Modified Telephone Interview for Cognitive Status (TICSm). Overall, the processing approaches performed similarly, and none showed a meaningful improvement over standard processing. Across processing approaches we observed previously reported relationships with MK6240 target ROIs including positive associations with age, an Aβ+> Aβ- effect and negative associations with cognition. In sum, we demonstrated that different methods for minimizing effects of OTS, which is highly correlated across the brain within subject, produced no substantive change in our performance metrics. This is likely because OTS contaminates both reference and target regions and this contamination largely cancels out in SUVR data. Caution should be used when efforts to reduce OTS focus on target or reference regions in isolation as this may exacerbate OTS contamination in SUVR data.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Spatial core-edge coupling of the particle-in-cell gyrokinetic codes GEM and XGC

Two existing particle-in-cell gyrokinetic codes, GEM for the core region and XGC for the edge region, have been successfully coupled with a spatial coupling scheme at the interface in a toroidal geometry. Additionally, a mapping technique is developed for transferring data between GEM's structured and XGC's unstructured meshes. Two examples of coupled simulations are presented to demonstrate the coupling scheme. The optimization of GEM for graphics processing unit is also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

An optimized search for dark matter in the galactic halo with HAWC

The Galactic Halo is a key target for indirect dark matter detection. The High Altitude Water Cherenkov (HAWC) observatory is a high-energy (~300 GeV to >100 TeV) gamma-ray detector located in central Mexico. HAWC operates via the water Cherenkov technique and has both a wide field of view of ~ 2 sr and a >95% duty cycle, making it ideal for analyses of highly extended sources. We made use of these properties of HAWC and a new background-estimation technique optimized for extended sources to probe a large region of the Galactic Halo for dark matter signals. With this approach, we set improved constraints on dark matter annihilation and decay between masses of 10 and 100 TeV. Due to the large spatial extent of the HAWC field of view, these constraints are robust against uncertainties in the Galactic dark matter spatial profile.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Development of a Beam Halo Monitor

Muons, Inc. proposed improved Residual-Gas luminescent Beam Profile Monitors for Intense Beams by adding novel features including a mirascope, a light collecting device devised in the 16th century by an inventor of the telescope. A modern mirascope consists of 2 paraboloids. Light generated by the beam is collected by the paraboloids and creates a beam image. By placing a lens near the image it is possible to collect almost 100% of the emitted light, up to ten times better than existing fluorescence profilometers. Intense (multi-MW) proton beams pose a challenge for beam profile measurements. Solid-based beam intercepting instrumentation produces unallowable levels of radiation at these high powers. An alternative is to use a zero-or-low mass device such as a residual-gas profile monitor, either through collection of ionization or fluorescence. Fluorescence has an intrinsic advantage over the usual collection of ionized electrons in that it is not affected by the strong and variable electric and magnetic fields created by the beam that can distort profiles and make calibration difficult. For this reason, we proposed the fluorescence technique using the mirascope and other methods to enhance light collection and versatility by modifying the residual gas and its spatial distribution. In Phase I, we designed a mirascope and its electronics for commissioning and beam tests in a proposed Phase II. The design was based on optical simulations done in Phase I, and a physics run plan was developed for optimizing and testing. The Phase II experimental site and program have been planned and our goal is to produce a universal low cost Mirascope Residual-Gas Luminescent Beam Profile Monitor that can replace all other profile monitors currently used in accelerators.

43 PARTICLE ACCELERATORS↗

NASA NTRS1976

Astrodynamics 1975; Conference, Nassau, Bahamas, July 28-30, 1975, Technical Papers

Articles are grouped under four headings: (1) dynamics and control of satellites; (2) satellite mission analysis; (3) Aeros-B and Symphonie satellite engineering problems; (4) optimization and control techniques applied to solar space heating and cooling of buildings. Topics covered include: communications and earth survey satellite systems, a system of two counter-orbiting satellites measuring GRT-predicted nodal drag, statistical mechanics studies of the spatial density function of orbiting space junk, attitude control of satellites, nutation dampers, low thrust inertial guidance and ascent inertial guidance, a shuttle-launched multi-comet intercept mission, preflight and in-flight analysis of the Atmosphere Explorer (AE-C) satellite, and launch-encounter strategy for the Mariner 1977 Jupiter-Saturn mission. Individual items are announced in this issue.

Powers, W. F.↗

NASA NTRS1981

Recent developments in space-borne zodiacal light photometry

The zodiacal light experiment to be flown aboard the International Solar Polar Mission in 1985 is presented. Overall objectives of the Zodiacal Light/Background Starlight Experiment include the study of the brightness, polarization, and color of the diffuse sky brightness and the determination of the spatial distributions and physical properties of the interplanetary dust as a function of spacecraft position in and out of the ecliptic. To meet these objectives, a multicolor sky-scanning photopolarimeter will be carried on the NASA spacecraft which will provide optimized stray light suppression and a capability for changing the viewing cone angle based on the use of a stepping device. Brightness and polarization measurements will be made for 11 center wavelengths in the UV and visible with 5.6 deg circular and 1.0 sq deg rectangular fields of view.

Schwehm, G. H.↗

NASA NTRS2000

Validation of a High-Order Prefactored Compact Scheme on Nonlinear Flows with Complex Geometries

Three benchmark problems are solved using a sixth-order prefactored compact scheme employing an explicit 10th-order filter with optimized fourth-order Runge-Kutta time stepping. The problems solved are the following: (1) propagation of sound waves through a transonic nozzle; (2) shock-sound interaction; and (3) single airfoil gust response. In the first two problems, the spatial accuracy of the scheme is tested on a stretched grid, and the effectiveness of boundary conditions is shown. The solution stability and accuracy near a shock discontinuity is shown as well. Also, 1-D nonlinear characteristic boundary conditions will be evaluated. In the third problem, a nonlinear Euler solver will be used that solves the equations in generalized curvilinear coordinates using the chain rule transformation. This work, continuing earlier work on flat-plate cascades and Joukowski airfoils, will focus mainly on the effect of the grid and boundary conditions on the accuracy of the solution. The grids were generated using a commercially available grid generator, GridPro/az3000.

Hixon, Ray↗

NASA NTRS2005

An Interdisciplinary Approach at Studying the Earth-Sun System with GPS/GNSS and GPS-like Signals

The value of Global Positioning Satellites (GPS) measurements to atmospheric science, space physics, and ocean science, is now emerging or showing a potential to play a major role in the evolving programs of NASA, NSF and NOAA. The objective of this communication is to identify and articulate the key scientific questions that are optimally, or perhaps uniquely, addressed by GPS or GPS-like observations, and discuss their relevance to existing or planned national Earth-science research programs. The GPS-based ocean reflection experiments performed to date have demonstrated the precision and spatial resolution suitable to altimetric applications that require higher spatial resolution and more frequent repeat than the current radar altimeter satellites. GPS radio occultation is promising as a climate monitoring tool because of its benchmark properties: its raw observable is based on extremely accurate timing measurements. GPS-derived temperature profiles can provide meaningful climate trend information over decadal time scales without the need for overlapping missions or mission-to-mission calibrations. By acquiring data as GPS satellites occult behind the Earth's limb, GPS also provides high vertical resolution information on the vertical structure of electron density with global coverage. New experimental techniques will create more comprehensive TEC maps by using signals reflected from the oceans and received in orbit. This communication will discuss a potential future GNSS Earth Observing System project which would deploy a constellation of satellites using GPS and GPS-like measurements, to obtain a) topography measurements based on GPS reflections with an accuracy and horizontal resolution suitable for eddy monitoring, and h) climate-records quality atmospheric temperature profiles. The constellation would also provide for measurements of ionospheric elec tron density. This is a good example of an interdisciplinary mission concept, with broad science objectives of high societal relevance, al l resting on common cost-effective technology.

Global Navigation Satellite System (GNSS)↗

DOE OSTI2022

Bayesian optimization to design a novel x-ray shaping device

In radiation therapy, x-ray dose must be precisely sculpted to the tumor, while simultaneously avoiding surrounding organs at risk. This requires modulation of x-ray intensity in space and/or time. Typically, this is achieved using a multi leaf collimator (MLC) - a complex mechatronic device comprising over one hundred individually powered tungsten ‘leaves’ that move in or out of the radiation field as required. Here, an all-electronic x-ray collimation concept with no moving parts is presented, termed “SPHINX”: Scanning Pencil-beam High-speed Intensity-modulated X-ray source. SPHINX utilizes a spatially distributed bremsstrahlung target and collimator array in conjunction with magnetic scanning of a high energy electron beam to generate a plurality of small x-ray “beamlets.” A simulation framework was developed in Topas Monte Carlo incorporating a phase space electron source, transport through user defined magnetic fields, bremsstrahlung x-ray production, transport through a SPHINX collimator, and dose in water. This framework was completely parametric, meaning a simulation could be built and run for any supplied geometric parameters. This functionality was coupled with Bayesian optimization to find the best parameter set based on an objective function which included terms to maximize dose rate for a user defined beamlet width while constraining inter-channel cross talk and electron contamination. Designs for beamlet widths of 5, 7, and 10 mm 2 were generated. Each optimization was run for 300 iterations and took approximately 40 h on a 24-core computer. For the optimized 7-mm model, a simulation of all beamlets in water was carried out including a linear scanning magnet calibration simulation. Finally, a back-of-envelope dose rate formalism was developed and used to estimate dose rate under various conditions. The optimized 5–, 7–, and 10-mm models had beamlet widths of 5.1 , 7.2 , and 10.1 mm 2 and dose rates of 3574, 6351, and 10 015 Gy/C, respectively. The reduction in dose rate for smaller beamlet widths is a result of both increased collimation and source occlusion. For the simulation of all beamlets in water, the scanning magnet calibration reduced the offset between the collimator channels and beam centroids from 2.9 ±1.9 mm to 0.01 ±0.03 mm. A slight reduction in dose rate of approximately 2% per degree of scanning angle was observed. Based on a back-of-envelope dose rate formalism, SPHINX in conjunction with next-generation linear accelerators has the potential to achieve substantially higher dose rates than conventional MLC-based delivery, with delivery of an intensity modulated 100 x 100 mm 2 field achievable in 0.9 to 10.6 s depending on the beamlet widths used. Bayesian optimization was coupled with Monte Carlo modeling to generate SPHINX geometries for various beamlet widths. A complete Monte Carlo simulation for one of these designs was developed, including electron beam transport of all beamlets through scanning magnets, x-ray production and collimation, and dose in water. These results demonstrate that SPHINX is a promising candidate for sculpting radiation dose with no moving parts, and has the potential to vastly improve both the speed and robustness of radiotherapy delivery. A multi-beam SPHINX system may be a candidate for delivering magavoltage FLASH RT in humans.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2022

Versatile soil gas concentration and isotope monitoring: optimization and integration of novel soil gas probes with online trace gas detection

Abstract. Gas concentrations and isotopic signatures can unveil microbial metabolisms and their responses to environmental changes in soil. Currently, few methods measure in situ soil trace gases such as the products of nitrogen and carbon cycling or volatile organic compounds (VOCs) that constrain microbial biochemical processes like nitrification, methanogenesis, respiration, and microbial communication. Versatile trace gas sampling systems that integrate soil probes with sensitive trace gas analyzers could fill this gap with in situ soil gas measurements that resolve spatial (centimeters) and temporal (minutes) patterns. We developed a system that integrates new porous and hydrophobic sintered polytetrafluoroethylene (sPTFE) diffusive soil gas probes that non-disruptively collect soil gas samples with a transfer system to direct gas from multiple probes to one or more central gas analyzer(s) such as laser and mass spectrometers. Here, we demonstrate the feasibility and versatility of this automated multiprobe system for soil gas measurements of isotopic ratios of nitrous oxide (δ18O, δ15N, and the 15N site preference of N2O), methane, carbon dioxide (δ13C), and VOCs. First, we used an inert silica matrix to challenge probe measurements under controlled gas conditions. By changing and controlling system flow parameters, including the probe flow rate, we optimized recovery of representative soil gas samples while reducing sampling artifacts on subsurface concentrations. Second, we used this system to provide a real-time window into the impact of environmental manipulation of irrigation and soil redox conditions on in situ N2O and VOC concentrations. Moreover, to reveal the dynamics in the stable isotope ratios of N2O (i.e., 14N14N16O, 14N15N16O, 15N14N16O, and 14N14N18O), we developed a new high-precision laser spectrometer with a reduced sample volume demand. Our integrated system – a tunable infrared laser direct absorption spectrometry (TILDAS) in parallel with Vocus proton transfer reaction mass spectrometry (PTR-MS), in line with sPTFE soil gas probes – successfully quantified isotopic signatures for N2O, CO2, and VOCs in real time as responses to changes in the dry–wetting cycle and redox conditions. Broadening the collection of trace gases that can be monitored in the subsurface is critical for monitoring biogeochemical cycles, ecosystem health, and management practices at scales relevant to the soil system.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Model assessment of synthetic jets for turbulent combustion experiments

Abstract Understanding turbulent premixed flames is essential to predict and optimize advanced combustion strategies, but critical capability gaps exist for collecting and validating measurements such as turbulent flame speed. Here, we evaluate synthetic jets as a new, promising turbulence generation device for constant-volume combustion chambers, quantitatively assessing turbulence intensity and spatial uniformity in a hypothetical 4,189-cm 3 vessel for various premixture conditions. Graphic Abstract

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Modeling the 4D discharge of lithium-ion batteries with a multiscale time-dependent deep learning framework

The lithium-ion battery (LIB) field is moving towards the direction of investigating spatially resolved physical phenomena in the 3D porous microstructure of electrodes. These pore-scale simulations give new insights into the local dynamics of lithiation/de-lithiation and charge transport, Nevertheless, the computational time of these simulations limits the integration of these models in optimization workflows of cycling conditions or electrode manufacturing processes. Machine learning models present a way of assessing in real-time the performance of materials. While several successful techniques for replicating simulations with machine learning have been proposed, this case study presents a more demanding problem, due to the necessity of understanding the behavior of heterogeneous 3D local data, as it evolves in time: this poses both a scientific and a technical challenge. To this end, we propose an autoregressive multiscale convolutional neural network model to predict relevant quantities at the pore-scale in the solid phase: the lithium concentration (in the active material) and potential (in the active material and carbon binder). Here, these are ultimately used to reconstruct the battery discharge curve. 3D images of the electrode microstructures are the input to the network, trained with a dataset of finite element method simulations to predict the discharge behavior of the cathode side in lithium ion batteries. We propose this machine learning model as a proof-of-concept of the applicability of multiscale networks for time-dependent physics problems. The trained model exhibits very high accuracy (with errors lower than 2 %) in forecasting the discharge behavior of new unseen cathodes.

25 ENERGY STORAGE↗

DOE OSTI2021

Consensus Equilibrium for Subsurface Delineation

Heterogeneity and insufficient site characterization limit our knowledge of the subsurface. Inversion techniques, which minimize the mismatch between observations and model predictions, have become an essential tool of subsurface characterization. Most optimization-based approaches fail to incorporate various implicit priors and capture the geological complexity. We overcome these limitations by deploying the plug-and-play and consensus equilibrium (CE) strategies, which provide a flexible framework for image reconstruction. Our CE methodology for spatial delineation of geologic formations consists of an image denoiser and a variational auto-encoder (deep learning-based emulator). The former ameliorates the reconstruction noise, yielding well-defined geological structures; its mathematical equivalence with the proximal operator allows the deployment of advanced denoisers (e.g., CNN-based denoiser) that do not correspond to a regularization objective. The latter defines a geology prior that imposes a geological constraint, for example, continuity and shape of geological features, onto the reconstructed image. Here, we conduct a series of numerical experiments dealing with transient two-dimensional flow driven by a pumping well and natural hydraulic head gradient. They demonstrate the CE framework's ability to delineate, both probabilistically and deterministically, complex subsurface environments with sufficient quality.

42 ENGINEERING↗