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At least 1,153 records · Page 64

Deep learning to estimate permeability using geophysical data

Time-lapse electrical resistivity tomography (ERT) is a popular geophysical method to estimate three-dimensional (3D) permeability fields from electrical potential difference measurements. Traditional inversion and data assimilation methods are used to ingest this ERT data into hydrogeophysical models to estimate permeability. Due to ill-posedness and the curse of dimensionality, existing inversion strategies provide poor estimates and low resolution of the 3D permeability field. Recent advances in deep learning provide us with powerful algorithms to overcome this challenge. This paper presents a deep learning (DL) framework to estimate the 3D subsurface permeability from time-lapse ERT data. To test the feasibility of the proposed framework, we train DL-enabled inverse models on simulation data. Each measurement in both synthetic and field data is standardized by removing the mean and scaling the time-series to unit variance. This pre-processing step is necessary to bring simulation data closer to field observations. Subsurface process models based on hydrogeophysics are used to generate this synthetic data. Training performed on limited simulation data resulted in the DL model over-fitting. An advanced data augmentation based on mixup is implemented to generate additional training samples to overcome this issue. This mixup technique creates weakly labeled (low-fidelity) samples from strongly labeled (high-fidelity) data. The weakly labeled training data is then used to develop DL-enabled inverse models and reduce over-fitting. As both time-lapse ERT (1133048 features/realization) and 3D permeability (585453 features/realization) data samples are from a high-dimensional space, principal component analysis (PCA) is employed to reduce dimensionality. Encoded ERT and encoded permeability are generated using the trained PCA estimators. A deep neural network is then trained to map the encoded ERT to encoded permeability. This mixup training and unsupervised learning allowed us to build a fast and reasonably accurate DL-based inverse model under limited simulation data. Results show that proposed weak supervised learning can capture salient spatial features in the 3D permeability field. Quantitatively, the average mean squared error (in terms of the natural log) on the strongly labeled training, validation, and test datasets is less than 0.5. The R 2 -score (global metric) is greater than 0.75, and the percent error in each cell (local metric) is less than 10%. Finally, an added benefit in terms of computational cost is that the proposed DL-based inverse model is at least O(10 4 ) times faster than running a forward model once it is trained. Data generation, DL model training, and hyperparameter tuning to identify optimal neural network architectures utilized high-performance computing resources while the DL inference is performed on a standard laptop. Approximately, O(10 5 ) processor hours are used for generating data and DL tuning and training. We acknowledge that the data generation and DL model development are expensive. But once a DL model is trained, it can be re-used for inversion rapidly for the given system, with set physics and domain. Note that traditional inversion may require multiple forward model simulations (e.g., in the order of 10 to 1000), which are very expensive. This computational savings ≈ O(10 5 ) – O(10 7 )) makes the proposed DL-based inverse model attractive for subsurface imaging and real-time ERT monitoring applications due to fast and yet reasonably accurate estimations of permeability field.

58 GEOSCIENCES↗

Mars gravity field model from Mariner 9, Viking 1 and 2 data

Earth artificial satellite methods are extended by means of two way Doppler data, to the computation of very accurate orbiter trajectories around another planet, and to the determination of its gravity field. It is reported that in the case of Mars, all observations collected by 10 Deep Space Network stations located at three different sites during the Mariner 9 and Viking 1 and 2 missions have been processed and used to compute a full twelfth degree and order spherical harmonic model of the gravitational potential. It is concluded that the aeroid derived from the model shows very large correlations with the Martian topography, raising questions as to the deep structure of the planet which cannot be interpreted on the basis of topographic and isostatic considerations alone.

Balmino, G.↗

A Robust Hybrid Deep Learning Model for Spatiotemporal Image Fusion

Dense time-series remote sensing data with detailed spatial information are highly desired for the monitoring of dynamic earth systems. Due to the sensor tradeoff, most remote sensing systems cannot provide images with both high spatial and temporal resolutions. Spatiotemporal image fusion models provide a feasible solution to generate such a type of satellite imagery, yet existing fusion methods are limited in predicting rapid and/or transient phenological changes. Additionally, a systematic approach to assessing and understanding how varying levels of temporal phenological changes affect fusion results is lacking in spatiotemporal fusion research. The objective of this study is to develop an innovative hybrid deep learning model that can effectively and robustly fuse the satellite imagery of various spatial and temporal resolutions. The proposed model integrates two types of network models: super-resolution convolutional neural network (SRCNN) and long short-term memory (LSTM). SRCNN can enhance the coarse images by restoring degraded spatial details, while LSTM can learn and extract the temporal changing patterns from the time-series images. To systematically assess the effects of varying levels of phenological changes, we identify image phenological transition dates and design three temporal phenological change scenarios representing rapid, moderate, and minimal phenological changes. The hybrid deep learning model, alongside three benchmark fusion models, is assessed in different scenarios of phenological changes. Results indicate the hybrid deep learning model yields significantly better results when rapid or moderate phenological changes are present. It holds great potential in generating high-quality time-series datasets of both high spatial and temporal resolutions, which can further benefit terrestrial system dynamic studies. The innovative approach to understanding phenological changes’ effect will help us better comprehend the strengths and weaknesses of current and future fusion models.

spatiotemporal fusion↗

Exploring End-to-end Deep Learning Applications for Event Classification at CMS

An essential part of new physics searches at the Large Hadron Collider (LHC) at CERN involves event classification, or distinguishing potential signal events from those coming from background processes. Current machine learning techniques accomplish this using traditional hand-engineered features like particle 4-momenta, motivated by our understanding of particle decay phenomenology. While such techniques have proven useful for simple decays, they are highly dependent on our ability to model all aspects of the phenomenology and detector response. Meanwhile, powerful deep learning algorithms are capable of not only training on high-level features, but of performing feature extraction. In computer vision, convolutional neural networks have become the state-of-the-art for many applications. Motivated by their success, we apply deep learning algorithms to low-level detector data from the 2012 CMS Simulated Open Data to directly learn useful features, in what we call, end-to-end event classification. We demonstrate the power of this approach in the context of a physics search and offer solutions to some of the inherent challenges, such as image construction, image sparsity, combining multiple sub-detectors, and de-correlating the classifier from the search observable, among others.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Subgap time of flight: A spectroscopic study of deep levels in semi-insulating CdTe:Cl

We report on a study of deep levels in semi-insulating CdTe:Cl by means of a time-of-flight spectral approach. By varying the wavelength of a pulsed optical source within the CdTe energy gap, transitions to/from localized levels generate free carriers which are analysed through the induced photocurrent transients. Both acceptor-like centers, related to the A-center, and a midgap level, 0.725 eV from the valence band, have been detected. The midgap level is close to the Fermi level and is possibly a recombination center responsible for the compensation mechanism. When the irradiance is varied, either linear or quadratic dependence of the electron and hole collected charge are observed, depending on the dominant optical transitions. The analysis discloses the potentiality of such a novel approach exploitable in the field of photorefractive materials as well as for deep levels spectroscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Density and mobility effects of the majority carriers in organic semiconductors under light excitation

This study demonstrates that the effect of light excitation on the density and the mobility of the majority carriers can be explored in organic semiconductors by modulated photocurrent spectroscopy. The spectra of phase and amplitude of the modulated photocurrent of pentacene films indicate a significant increase in the density of the photogenerated mobile holes (majority carriers). This increase is accompanied by a comparatively much smaller increase of the steady state photocurrent response which can be reconciled with a decrease in the mobility (μ) of holes. The decrease of μ is supported from an unusual increase of the Y/μ ratio of the out-of-phase modulated photocurrent (Y) signal to the mobility under light excitation. It is proposed that the mobile holes, which are generated from the dissociation of the light-created excitons more likely near the pentacene-substrate interface by electron trapping, populate grain boundaries charging them and producing a downward band bending. As a result, potential energy barriers are build up which limit the transport of holes interacting through trapping-detrapping with deep partially occupied traps in the charged grain boundaries. On the other hand, the transport of holes interacting through trapping-detrapping with empty traps is found unaffected.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Spaceflight Associated Neuro-Ocular Syndrome: A Brief for Astronaut Candidates

INTRODUCTION: Spaceflight Associated Neuro-ocular Syndrome (SANS) was first described in 2011 as a clinical process involving degradation of visual acuity and structural changes of the eye when exposed to microgravity. This syndrome poses a risk to astronaut vision, safety, and mission performance, especially during extended-duration missions. The modern astronaut cohort is a diverse group of men and women including scientists, engineers, teachers, pilots, business professionals, and artists. Given their diverse backgrounds, it is imperative all crews are educated on SANS risks and potential countermeasures. This education must be comprehensive and easily understood, regardless of academic background or specific expertise. TOPIC: A PowerPoint was created to serve as a presentation and stand-alone educational aid for all astronaut candidates (ASCANS). This medium was chosen as it can be updated dynamically as new information emerges. The brief was split into sections to facilitate organized delivery of complex content in easy-to-understand components. Sections included descriptive statistics, signs and symptoms, outcomes, myths and ongoing research, countermeasures, ongoing surveillance, and unknown and future directions. More research is necessary in order to understand this syndrome, and without continued ASCAN participation in research, acquisition of data will not be possible. These efforts will become increasingly critical with deep space and exploration missions. APPLICATION: We recommend regular use of this brief for all ASCANS, and potentially veteran crewmembers, given the high risks and potentially poor outcomes associated with SANS. For ASCANS, recommendations include that this brief be provided at the start of their training, with a bi-annual refresher course for all astronauts. This ensures they are current on SANS information, given the dynamic nature of this syndrome. Additionally, this brief will be made available to all as a self-study aid, utilized as a refresher immediately prior to launch. It is anticipated that this brief will promote the health, safety, and wellbeing of professional and private crews alike, during and after long-duration spaceflight. RESOURCES: Brunstetter, T., Tarver, B., & Tsung, A. (2022, October). Spaceflight Associated Neuro-ocular Syndrome (Sans) and its Risk to Nasa Astronauts. JSC Aerospace Medicine Clerkship. Houston, TX; Lyndon B. Johnson Space Center. Laurie, S. S., Macias, B. R., Pardon, L. P., Brunstetter, T., Tarver, W. J., Gibson, C. R., Greenwald, S. H., Jasien, K. V., Mason, S., & Tsung, A. (2022). (rep.). Evidence Report: Risk of Spaceflight Associated Neuro-ocular Syndrome (SANS). Houston, TX: National Aeronautics and Space Administration. Mader, T. H., Gibson, C. R., Pass, A. F., Kramer, L. A., Lee, A. G., Fogarty, J., ... & Polk, J. D. (2011). Optic disc edema, globe flattening, choroidal folds, and hyperopic shifts observed in astronauts after long-duration space flight. Ophthalmology, 118(10), 2058-2069. LEARNING OBJECTIVES: • The audience will be able to describe current Spaceflight Associated Neuro-ocular Syndrome (SANS) findings, significance, and countermeasures. • The audience will understand the importance of astronauts’ familiarity with SANS prior to flying and the large risks associated with this syndrome. CME QUESTIONS (3 QUESTIONS, MULTIPLE CHOICE A-D): 1. What is the approximate prevalence rate of SANS in astronauts? A. 22% B. 50% C. 66% D. 80% Answer: C. 2. Which of the ocular findings are NOT associated with SANS? A. Optic disc edema B. Retinal detachment C. Globe flattening D. Chorioretinal folds Answer: B. 3. Which of the following diagnostic technologies are NOT available in-flight? A. Ocular ultrasound B. Retinal photography C. MRI Orbit D. Optical Coherence Tomography (OCT) Answer: C.

Sara Stroble Mason↗

Geophysical Monitoring of Foam used to Deliver Remediation Treatments within the Vadose Zone

Foam is a promising vehicle for delivering amendments into the vadose zone for in situ remediation; it is an approach being considered for in situ treatment and stabilization of metals and radionuclides located within the deep vadose zone of the Department of Energy (DOE) Hanford site, WA. A central aspect of evaluating the effectiveness of this approach is the ability to monitor foam distribution, its transformation, and the reactions that it induces in the subsurface, ideally in a non-invasive manner. In this study, we performed laboratory experiments to evaluate the potential of geophysical methods (complex resistivity and time domain reflectometry, TDR) as tools for monitoring foam assisted amendment delivery in the deep vadose zone. Our results indicated great sensitivity of electrical methods to foam transportation and evolution in unsaturated porous media that were related to foam bubble coalescence and drainage processes. Specifically, we observed (1) a decrease of electrical resistivity (increase of electrical conductivity) by over an order of magnitude in both silica sand and natural sediment matrices during foam transportation; (2) an increase of resistivity (decrease of conductivity) by over two fold during foam coalescence and drainage; (3) a distinct phase and imaginary conductivity signature related to the evolution of water films on sediment grains during foam injection and evolution processes. To assist with the interpretation of these data, TDR measurements were used to monitor moisture content, which provided complementary information about foam distribution and drainage. Our results clearly demonstrated the sensitivity of electrical and TDR signals to foam transportation and evolution in unsaturated porous media and suggested the potential of these methods for monitoring the response of a system to foam based remediation treatments at field scales.

Hanford↗

New insights into the flow dynamics of a deep freshwater aquifer in the semi-arid and saline Cuvelai-Etosha Basin, Northern Namibia: Results of a multi-environmental tracer study

Study region A paleo-megafan system of the Cubango River in the northern parts of the semi-arid Cuvelai-Etosha Basin, shared by Angola and Namibia. It hosts a deep freshwater aquifer, the so-called Kalahari-Ohangwena 2 (KOH-2), with the potential to resolve the imminent regional water supply shortages. Study focus Hydrogeochemical and multi-environmental tracer studies incorporating the use of age tracers 14 C, 36 Cl, 81 Kr and 4 He to determine the age of groundwater and provide insights into the flow dynamics of the KOH-2. New hydrological insights for the region Stable water isotopes and noble gas thermometry show that in a period with higher rainfall and recharge, temperatures were at least 3 – 4 °C lower than today. Several arguments led to the conclusion that younger groundwater, possibly of an age of 35,000 years, is mixed with ancient saline pore water. These include: 1) the correlation of measured 36 Cl and 81 Kr ratios, as well as 4 He concentrations, using a binary mixing model, and 2) the substantial variation in 81 Kr ages, ranging from 40,000 to 170,000 years, over relatively short distances—a phenomenon challenging to explain by advective groundwater flow equations. Consequently, the ages derived from 81 Kr measurements serve as indicators of the extent of freshening and therefore describe mixing ages rather than absolute travel times.

54 ENVIRONMENTAL SCIENCES↗

DNN-based policies for stochastic AC OPF

We report a prominent challenge to the safe and optimal operation of the modern power grid arises due to growing uncertainties in loads and renewables. Stochastic optimal power flow (SOPF) formulations provide a mechanism to handle these uncertainties by computing dispatch decisions and control policies that maintain feasibility under uncertainty. Most SOPF formulations consider simple control policies such as affine policies that are mathematically simple and resemble many policies used in current practice. Motivated by the efficacy of machine learning (ML) algorithms and the potential benefits of general control policies for cost and constraint enforcement, we put forth a deep neural network (DNN)-based policy that predicts the generator dispatch decisions in real time in response to uncertainty. The weights of the DNN are learnt using stochastic primal–dual updates that solve the SOPF without the need for prior generation of training labels and can explicitly account for the feasibility constraints in the SOPF. The advantages of the DNN policy over simpler policies and their efficacy in enforcing safety limits and producing near optimal solutions are demonstrated in the context of a chance constrained formulation on a number of test cases.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Reservoir scale reactive-transport modeling of a buoyancy-controlled CO 2 plume with impurities (SO 2 , NO 2 , O 2 )

We present that a demonstration project for the geological storage of CO 2 is currently being considered in the deep Precipice Sandstone formation of the Surat Basin, Queensland, Australia. Because of the presence of potential fresh water resources in this formation, a reservoir-scale two-dimensional reactive-transport model was developed to assess temporal and spatial changes in water quality imposed by co-injecting CO 2 with SO 2 , NO 2 , and O 2 at this location. The model shows that because the injection rate is relatively low (60,000 tons/year), flow is buoyancy-dominated and under these conditions the predicted CO 2 flow pattern is quite sensitive to fine-scale heterogeneities and the resolution of the numerical mesh. The model also shows that SO 2 and NO 2 readily partition into the aqueous phase in close vicinity of their injection point, lowering pH somewhat beyond the acidification from CO 2 dissolution. Only O 2 under redox disequilibrium conditions is modeled to persist in the CO 2 plume away from the injection point, however at sub-ppm levels. In conclusion, this modeling effort demonstrates acidification near the wellbore due to the preferential stripping of gas impurities, and accumulation of CO 2 around a lithostratigraphic boundary above the target formation, where relatively rapid mineral dissolution (muscovite, chlorite and calcite) and precipitation (ankerite, kaolinite and chalcedony) occur.

54 ENVIRONMENTAL SCIENCES↗

Hydrogen Dynamics in Supercritical Water Probed by Neutron Scattering and Computer Simulations

In this work, an investigation of supercritical water is presented combining inelastic and deep inelastic neutron scattering experiments and molecular dynamics simulations based on a machine-learned potential of ab initio quality. The local hydrogen dynamics is investigated at 250 bar and in the temperature range of 553–823 K, covering the evolution from subcritical liquid to supercritical gas-like water. The evolution of libration, bending, and stretching motions in the vibrational density of states is studied, analyzing the spectral features by a mode decomposition. Moreover, the hydrogen nuclear momentum distribution is measured, and its anisotropy is probed experimentally. It is shown that hydrogen bonds survive up to the higher temperatures investigated, and we discuss our results in the framework of the coupling between intramolecular modes and intermolecular librations. Results show that the local potential affecting hydrogen becomes less anisotropic within the molecular plane in the supercritical phase, and we attribute this result to the presence of more distorted hydrogen bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Theoretical Study of Methanol Oxidation on RuO 2 (110): Bridging the Pressure Gap

Partial oxidation catalysis is often fraught with selectivity problems, largely because there is a tendency of oxidation products to be more reactive than the starting material. One industrial process that has successfully overcome this problem is partial oxidation of methanol to formaldehyde. This process has become a global success, with an annual production of 30 million tons. Although ruthenium catalysts have not shown activity as high as the current molybdena or silver-based industrial standards, the study of ruthenium systems has the potential to elucidate which catalyst properties facilitate the desired partial oxidation reaction as opposed to deep combustion due to a pressure-dependent selectivity “switch” that has been observed in ruthenium-based catalysts. In this work, we find that we are able to successfully rationalize this “pressure gap” using near-ab initio steady-state microkinetic modeling on RuO 2 (110). We obtain molecular desorption prefactors from experiment and determine all other energetics using density functional theory. We show that, under ambient pressure conditions, formaldehyde production is favored on RuO 2 (110), whereas under ultrahigh vacuum pressure conditions, full combustion to CO 2 takes place. We glean from our model several insights regarding how coverage effects, oxygen activity, and rate-determining steps influence selectivity and activity. As a result, we believe the understanding gained in this work might advise and inspire the greater partial oxidation community and be applied to other catalytic processes which have not yet found industrial success.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A record of deep-ocean dissolved O 2 from the oxidation state of iron in submarine basalts

The oxygenation of the deep ocean in the geological past has been associated with a rise in the partial pressure of atmospheric molecular oxygen (O 2 ) to near-present levels and the emergence of modern marine biogeochemical cycles. It has also been linked to the origination and diversification of early animals. It is generally thought that the deep ocean was largely anoxic from about 2,500 to 800 million years ago, with estimates of the occurrence of deep-ocean oxygenation and the linked increase in the partial pressure of atmospheric oxygen to levels sufficient for this oxygenation ranging from about 800 to 400 million years ago. Deep-ocean dissolved oxygen concentrations over this interval are typically estimated using geochemical signatures preserved in ancient continental shelf or slope sediments, which only indirectly reflect the geochemical state of the deep ocean. Here we present a record that more directly reflects deep-ocean oxygen concentrations, based on the ratio of Fe 3+ to total Fe in hydrothermally altered basalts formed in ocean basins. Our data allow for quantitative estimates of deep-ocean dissolved oxygen concentrations from 3.5 billion years ago to 14 million years ago and suggest that deep-ocean oxygenation occurred in the Phanerozoic (541 million years ago to the present) and potentially not until the late Palaeozoic (less than 420 million years ago).

58 GEOSCIENCES↗

Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents

Deep eutectic solvents (DESs) are an emerging class of non-aqueous solvents that are potentially scalable, easy to prepare and functionalize for many applications ranging from biomass processing to energy storage technologies. Predictive understanding of the fundamental correlations between local structure and macroscopic properties is needed to exploit the large design space and tunability of DESs for specific applications. Here, we employ a range of computational and experimental techniques that span length-scales from molecular to macroscopic and timescales from picoseconds to seconds to study the evolution of structure and dynamics in model DESs, namely Glyceline and Ethaline, starting from the parent compounds. We show that systematic addition of choline chloride leads to microscopic heterogeneities that alter the primary structural relaxation in glycerol and ethylene glycol and result in new dynamic modes that are strongly correlated to the macroscopic properties of the DES formed.

36 MATERIALS SCIENCE↗

Influence of growth temperature and temperature ramps on deep level defect incorporation in m-plane GaN

The dependence of deep level defect incorporation in m-plane GaN films grown by metal-organic chemical vapor deposition on bulk m-plane GaN substrates as a function of growth temperature (T{sub g}) and T{sub g} ramping method was investigated using deep level optical spectroscopy. Understanding the influence of T{sub g} on GaN deep level incorporation is important for InGaN/GaN multi-quantum well (MQW) light emitting diodes (LEDs) and laser diodes (LDs) because GaN quantum barrier (QB) layers are grown much colder than thin film GaN to accommodate InGaN QW growth. Deep level spectra of low T{sub g} (800 °C) GaN films grown under QB conditions were compared to deep level spectra of high T{sub g} (1150 °C) GaN. Reducing T{sub g}, increased the defect density significantly (>50×) through introduction of emergent deep level defects at 2.09 eV and 2.9 eV below the conduction band minimum. However, optimizing growth conditions during the temperature ramp when transitioning from high to low T{sub g} substantially reduced the density of these emergent deep levels by approximately 40%. The results suggest that it is important to consider the potential for non-radiative recombination in QBs of LED or LD active regions, and tailoring the transition from high T{sub g} GaN growth to active layer growth can mitigate such non-radiative channels.

36 MATERIALS SCIENCE↗

Deep Learning and Structural Imaging of Materials

Deep learning has had a transformative effect on numerous domains and is actively utilized by many scientists in data-intensive fields such as high-energy physics and cosmology. Materials science, and in particular, the structural imaging of materials with electrons and X-rays are projected to enter the age of scientific data torrents, positioning them as new application spaces for modern artificial intelligence. In this contribution, we provide a synopsis on the foundations and latest progress in deep learning and present an in-depth application of utilizing modern deep artificial neural networks in scanning transmission electron microscopy to extract structural material properties. We use this case study to expose the strengths of deep learning-based models and discuss their current limitations, in the process highlighting their potential use in other data-intensive structural imaging modalities.

Laanait, Nouamane↗

Evaluation of Gas Retention in Waste Simulants: Tall Column Experiments

Gas generation in Hanford’s underground waste storage tanks can lead to gas accumulation within the layer of settled solids (sludge) at the tank bottom. The gas, which typically has hydrogen as the major component together with other flammable species, is formed principally by radiation-driven chemical reactions. Accumulation of these gases within the sludge in a waste tank is undesirable and limits the amount of tank volume for waste storage. Further, accumulation of large amounts of gas in the sludge may potentially result in an unacceptable release of the accumulated gas if the sludge-layer density is reduced to less than that of the overlying sludge or that of the supernatant liquid. Rapid release of large amounts of flammable gases could endanger personnel and equipment near the tank. For this reason, a thorough understanding of the circumstances that can lead to a potentially problematic gas accumulation in sludge layers is needed. To respond to this need, the Deep Sludge Gas Release Event Program (DSGREP) was commissioned to examine gas release behavior in sludges.

Gas Retention↗