X-ray computed tomography analysis of pore deformation in IN718 made with directed energy deposition
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Kafka, Orion L.↗
SEARCH · Engineering Papers
Results for “inverse modeling”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Pd-promoted reduction and restructuring of an In 2 O 3 -based catalyst for CO 2 hydrogenation at room temperature
An unconventional reaction mechanism in an In 2 O 3 /Pd(1 1 1) inverse model catalyst for the CO 2 hydrogenation reaction has been uncovered: In 2 O 3 is partially reduced at room temperature in a reaction atmosphere as a result of its direct contact with Pd(1 1 1), which is an efficient H 2 splitter. The reduction induces changes in surface free energy, leading to a dynamical restructuring at the In 2 O 3 /Pd(1 1 1) interface via formation of InO x and outward diffusion of Pd, as revealed by ambient pressure X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and density functional theory simulations. This dynamical restructuring eventually promotes the growth of 2D InPd y O x nanodomains as the catalytically active phase and the exclusive formation of methanol upon hydrogenation of CO 2 at room temperature. A comparable high selectivity toward CH 3 OH was found in more realistic bulk catalytic systems (2 wt% Pd/In 2 O 3 catalyst and commercial CZA catalyst). Scanning tunneling microscopy under ultrahigh vacuum and ambient pressure reaction atmospheres further reveals the structural dynamics at the InO x /Pd(1 1 1) interface, where we follow in situ the evolution of the InO x particles on Pd(1 1 1) and the mobility of the InPd y O x nanodomains in a CO 2 + H 2 environment. The present findings of the formation of a mixed oxide phase in a dynamically restructuring metal/reducible-oxide interface indicate further implications for other heterogeneous catalytic systems beyond the present CO 2 hydrogenation example and highlight the importance of in situ investigations.
36 MATERIALS SCIENCE↗
Reactivity of a Zirconia–Copper Inverse Catalyst for CO 2 Hydrogenation
Copper–zirconia catalysts have been shown to be effective for methanol synthesis via CO 2 hydrogenation, yet the active phases and reaction mechanism remain uncertain. Here, an inverse model catalyst ZrO 2 /CuO 2 /Cu(111) was prepared by mass-selected ion deposition and tested for CO 2 hydrogenation under near-ambient pressure (AP) reaction conditions by using X-ray photoelectron spectroscopy (NAP-XPS) and infrared reflection–absorption spectroscopy (NAP-IRAS). The spatial resolution afforded by the small entrance cone of the AP-XPS spectrometer was used to resolve regions of the surface with and without Zr deposition. Carbon 1s core level spectra of the ZrO 2 /Cu 2 O/Cu(111) regions of the surface under 500 mTorr of CO 2 + H 2 (1:3 ratio) show evidence for reaction intermediates including carbonate (CO 3 *), formate (HCOO*), and H x CO* species, with methoxy having the highest surface concentration at 500–600 K. These intermediates are confirmed by IRAS vibrational spectra. In regions of the surface without Zr, the Cu 2 O/Cu(111) is reduced to metallic Cu, and the surface intermediates are different and are present at much lower concentrations. The observed surface intermediates and their temperature dependence suggest a mechanism in which CO 2 is adsorbed on zirconia as carbonate (CO 3 *) and then converted to HCOO* and H x CO* hydrogenated intermediates that ultimately lead to methoxy (CH 3 O*), the final surface-bound precursor for methanol. Overall, the results clearly demonstrate the promotional effects of small ZrO 2 particles for enhancing the reactivity of Cu surfaces for CO 2 hydrogenation.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Intrinsic Century-Scale Variability in Tropical Pacific Sea Surface Temperatures and Their Influence on Western US Hydroclimate
Hydroclimate variability of the southwest United States (SWUS) is influenced by the tropical Pacific Ocean, particularly through the teleconnection to El Nino/Southern Oscillation (ENSO), which is expected to be altered by climate change. Natural variability in this teleconnection has not been robustly quantified, complicating the detection of anthropogenic climate change. Here, we use a linear inverse model (LIM) to quantify natural variability in the ENSO-SWUS teleconnection. The LIM yields realistic teleconnection patterns with century-scale variability comparable to simulations from the Last Millennium Ensemble project and the Climate Model Intercomparison Project Phases 5 and 6. The variability quantified by the LIM illuminates two aspects of our understanding of ENSO and its impacts: the inherent statistics of the observable system can produce century-long periods with a wide range of correlations to SWUS hydroclimate, including nonsignificant correlations, and thus that detecting changes in ENSO-related hydroclimate variability is challenging in a changing climate.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Permafrost Formation in a Meandering River Floodplain
Abstract Permafrost influences 25% of land in the Northern Hemisphere, where it stabilizes the ground beneath communities and infrastructure and sequesters carbon. However, the coevolution of permafrost, river dynamics, and vegetation in Arctic environments remains poorly understood. As rivers meander, they erode the floodplain at cutbanks and build new land through bar deposition, creating sequences of landforms with distinct formation ages. Here we mapped these sequences along the Koyukuk River floodplain, Alaska, analyzing permafrost occurrence, and landform and vegetation types. We used radiocarbon and optically stimulated luminescence (OSL) dating to develop a floodplain age map. Deposit ages ranged from modern to 10 ka, with more younger deposits near the modern channel. Permafrost rapidly reached 50% areal extent in all deposits older than 200 years then gradually increased up to ∼85% extent for deposits greater than 4 Kyr old. Permafrost extent correlated with increases in black spruce and wetland abundance, as well as increases in permafrost extent within wetland, and shrub and scrub vegetation classes. We developed an inverse model to constrain permafrost formation rate as a function of air temperature. Permafrost extent initially increased by ∼25% per century, in pace with vegetation succession, before decelerating to <10% per millennia as insulating overbank mud and moss slowly accumulated. Modern permafrost extent on the Koyukuk floodplain therefore reflects a dynamic balance between widespread, time‐varying permafrost formation and rapid, localized degradation due to cutbank erosion that might trigger a rapid loss of permafrost with climatic warming.
54 ENVIRONMENTAL SCIENCES↗
Evidence for an Early Formation of Serenitatis Basin at 4.25 Ga Shifts Lunar Chronology
Troctolite sample 76535, collected in Serenitatis basin during Apollo 17, formed at least 50 km deep, experienced maximum shock pressures of 6 GPa, and has a 40 Ar/ 39 Ar excavation age of 4.25 Ga. Previous work attributed 76535 to the South Pole-Aitken (SPA) basin, presumably dating the SPA-impact and constraining lunar bombardment history. Here we use the iSALE-2D shock-physics code and gravity inversion modeling to determine if instead the Serenitatis impact event excavated 76535. We find nearly 140,000 km 3 of material (∼2% of near-surface ejecta) matching the depth and pressure constraints of 76535 is displaced to the surface during crater collapse of a Serenitatis-like impact event. We conclude that the Serenitatis impact event possibly excavated 76535, redefining its age to 4.25 Ga, 300 My older than the consensus age based on Apollo 17 samples. This finding would provide an important anchor point where lunar chronology where bombardment flux is especially uncertain.
Bjonnes, Evan [Lawrence Livermore National Laborat↗
An increase in marine heatwaves without significant changes in surface ocean temperature variability
Marine heatwaves (MHWs)—extremely warm, persistent sea surface temperature (SST) anomalies causing substantial ecological and economic consequences—have increased worldwide in recent decades. Concurrent increases in global temperatures suggest that climate change impacted MHW occurrences, beyond random changes arising from natural internal variability. Moreover, the long-term SST warming trend was not constant but instead had more rapid warming in recent decades. Here we show that this nonlinear trend can—on its own—appear to increase SST variance and hence MHW frequency. Using a Linear Inverse Model to separate climate change contributions to SST means and internal variability, both in observations and CMIP6 historical simulations, we find that most MHW increases resulted from regional mean climate trends that alone increased the probability of SSTs exceeding a MHW threshold. Our results suggest the need to carefully attribute global warming-induced changes in climate extremes, which may not always reflect underlying changes in variability.
54 ENVIRONMENTAL SCIENCES↗
A smart alarm for particle accelerator beamline operations
We present the initial results of a proof-of-concept 'smart alarm' for the Continuous Electron Beam Accelerator Facility injector beamline at Jefferson Lab. To minimize machine downtime and improve operational efficiency, an autonomous alarm system able to identify and diagnose unusual machine states is needed. Our approach leverages a trained neural network capable of alerting operators (a) when an anomalous condition exists in the beamline and (b) identifying the element setting that is the root cause. The tool is based on an inverse model that maps beamline readings (diagnostic readbacks) to settings (beamline attributes operators can modify). The model takes as input readings from the machine and computes machine settings which are compared to control setpoints. Instances where predictions differ from setpoints by a user-defined threshold are flagged as anomalous. Given data corresponding to 354 anomalous injector configurations, the model can narrow the root cause of an anomalous condition to three potential candidates with 94.6% accuracy. Furthermore, compared to the current method of identifying anomalous conditions which raises an alarm when machine parameters drift outside their normal tolerances, the data-driven model can identify 83% more anomalous conditions.
43 PARTICLE ACCELERATORS↗
Effective permeability of an immiscible fluid in porous media determined from its geometric state
Based on the phenomenological extension of Darcy's law, two-fluid flow is dependent on a relative permeability function of saturation only that is process or path dependent with an underlying dependency on pore structure and wettability. For applications (fuel cells to underground CO 2 storage), it is imperative to determine the effective phase permeability relationships where the traditional approach is based on the inverse modeling of time-consuming experiments. The underlying reason is that the fundamental upscaling step from pore to Darcy scale, which links the pore structure of the porous medium to the continuum hydraulic conductivities, is not solved. Herein, we develop an artificial neural network (ANN) that relies on fundamental geometrical relationships to determine the mechanical energy dissipation during creeping immiscible two-fluid flow. Finally, the developed ANN is based on a prescribed set of state variables based on physical insights that predict the effective permeability of 4500 unseen pore-scale geometrical states with R 2 = 0.98.
42 ENGINEERING↗
Artificial Intelligence Designer of Materials and Processes for Advanced Power Generation
In this presentation, ‘deep-freeze’ graphs, ‘convoluted filtering’ networks, ‘mirror-image’ graphs, and adversarial ensemble methods are utilized to support inversion modeling for optimization of the complex compositions and complex processes in design of high-performing alloys, with their properties tailored to the energy application specifications.
Romanov, Vyacheslav↗
BiRD (BioReactorDesign) [SWR-24-35]
Numerical simulations can accelerate scale up and optimization of bioreactors. This project provides a toolbox to facilitate such numerical simulations in OpenFOAM. The tool box contains 1) mesh generations tools for several typical bio reactor types in OpenFOAM 2) Inverse modeling tools to calibrate models using available experimental data 3) post processing tools that accelerate and streamline the analysis of the numerical simulations.
Hassanaly, Malik↗
Removing the Effects of Tropical Dynamics from North Pacific Climate Variability
Teleconnections from the Tropics energize variations of the North Pacific climate, but detailed diagnosis of this relationship has proven difficult. Simple univariate methods, such as regression on El Niño-Southern Oscillation (ENSO) indices, may be inadequate since the key dynamical processes involved -- including ENSO diversity in the Tropics, re-emergence of mixed layer thermal anomalies, and oceanic Rossby wave propagation in the North Pacific -- have a variety of overlapping spatial and temporal scales. Here we use a multivariate Linear Inverse Model to quantify tropical and extra-tropical multi-scale dynamical contributions to North Pacific variability, in both observations and CMIP6 models. In observations, we find that the Tropics are responsible for almost half of the seasonal variance, and almost three quarters of the decadal variance, along the North American coast and within the subtropical front region northwest of Hawaii. SST anomalies that are generated by local dynamics within the Northeast Pacific have much shorter time scales, consistent with transient weather forcing by Aleutian low anomalies. Variability within the Kuroshio-Oyashio Extension (KOE) region is considerably less impacted by the Tropics, on all time scales. Consequently, without tropical forcing the dominant pattern of North Pacific variability would be a KOE pattern, rather than the Pacific Decadal Oscillation (PDO). In contrast to observations, most CMIP6 historical simulations produce North Pacific variability that maximizes in the KOE region, with amplitude significantly higher than observed. Correspondingly, the simulated North Pacific in all CMIP6 models is shown to be relatively insensitive to the Tropics, with a dominant spatial pattern generally resembling the KOE pattern, not the PDO.
54 ENVIRONMENTAL SCIENCES↗
The Role of Seasonality and the ENSO Mode in Central and East Pacific ENSO Growth and Evolution
Abstract A cyclostationary linear inverse model (CSLIM) is used to investigate the seasonal growth of tropical Pacific Ocean El Niño–Southern Oscillation (ENSO) events with canonical, central Pacific (CP), or eastern Pacific (EP) sea surface temperature (SST) characteristics. Analysis shows that all types of ENSO events experience maximum growth toward final states occurring in November and December. ENSO events with EP characteristics also experience growth into May and June, but CP events do not. A single dominant “ENSO mode,” growing from an equatorial heat content anomaly into a characteristic ENSO-type SST pattern in about 9 months (consistent with the delayed/recharge oscillator model of ENSO), is essential for the predictable development of all ENSO events. Notably, its seasonality is responsible for the late-calendar-year maximum in ENSO amplification. However, this ENSO mode alone does not capture the observed growth and evolution of diverse ENSO events, which additionally involve the seasonal evolution of other nonorthogonal Floquet modes. EP event growth occurs when the ENSO mode is initially “covered up” in combination with other Floquet modes. The ENSO mode’s slow seasonal evolution allows it to emerge while the other modes rapidly evolve and/or decay, leading to strongly amplifying and more predictable EP events. CP events develop when the initial state has a substantial contribution from Floquet modes with meridional mode–like SST structures. Thus, while nearly all ENSO events involve the seasonally varying ENSO-mode dynamics, the diversity and predictability of ENSO events cannot be understood without identifying contributions from the remaining Floquet modes. Significance Statement The purpose of this study is to identify structures that lead to seasonal growth of diverse types of El Niño–Southern Oscillation (ENSO) events. An important contribution from this study is that it uses an observationally constrained, empirically derived seasonal model. We find that processes affecting the evolution of diverse ENSO events are strongly seasonally dependent. ENSO events with eastern equatorial Pacific sea surface temperature (SST) characteristics are closely related to a single “ENSO mode” that resembles theoretical models of ENSO variability. ENSO events that have central equatorial Pacific SST characteristics include contributions from additional “meridional mode” structures that evolve via different physical processes. These findings are an important step in evaluating the seasonal predictability of ENSO diversity.
Vimont, Daniel J.↗
Investigating the Relative Contribution from Tropical Indo-Pacific SST to Asian Monsoon Precipitation Variability Using LIM
Abstract A critical issue is determining the factors that control the year-to-year variability in precipitation over southern Asia. In this study, we employ a cyclostationary linear inverse model (CS-LIM) to quantify the relative contribution of tropical Pacific and Indian Ocean sea surface temperature anomalies (SSTAs) to the interannual variability of the Asian monsoon, especially Indian summer monsoon rainfall (ISMR). Through a series of CS-LIM experiments, we isolate the impacts of the direct forcing from Pacific SSTAs, Indian Ocean SSTAs, and their interaction on Asian monsoon rainfall variability. Our results reveal distinct patterns of influence with the direct forcing from the Pacific (Indian) Ocean tending to enhance (reduce) the magnitude of precipitation variability, while the Indo-Pacific interaction acts to strongly damp the variability of Asian monsoon precipitation, especially over India. We further investigate these specific impacts on ISMR by analyzing the relationship between tropical Indo-Pacific SSTAs and the leading three empirical orthogonal functions (EOFs) of ISMR. The results from our CS-LIM experiments indicate that the direct forcing from El Niño–Southern Oscillation (ENSO) enhances the variability of the first and third EOFs, while the Indian Ocean SSTA opposes ENSO’s effects, which is consistent with previous studies. Our new results show that the tropical Indo-Pacific interaction strongly damps ISMR variability, which is due to the ENSO-induced Indian Ocean dipole (IOD) opposing the direct impacts from ENSO on ISMR. Additionally, reduced ENSO amplitude and duration associated with the Indo-Pacific interaction may also contribute to the damping effect on ISMR, but this requires further study to understand the relevant mechanisms.
Meteorology & Atmospheric Sciences↗
Seismic Monitoring near Ithaca, New York, Reveals Nonuniform Distribution of Microseismicity in an Intraplate Region
Abstract Cornell University intends to use a deep direct-use geothermal system to heat its Ithaca, New York, campus. In preparation for this project, the Cornell Seismic Network has been monitoring the background seismicity in this intraplate region since 2019. From January 2020 to June 2023, 95 events were detected within 20 km of the proposed geothermal well site, with local magnitudes ranging from −1.02 to 0.56. None of these events appear in regional or national catalogs. Events locate in a narrow geographic band, with one-fourth exhibiting multimodal hypocentral probability peaks both near the surface and at 1–4 km depth. We relocate events with a joint hypocenter and 1D velocity model inversion, in addition to a fully nonlinear method, and then compare observations with synthetic waveforms. Together, these approaches provide strong evidence for >95% of events locating at the surface or within the 3-km-thick sedimentary sequence. We explore how anthropogenic activity and regional topographic stress may contribute to frequent surficial events. This information is critical for characterizing the background microseismicity for comparison during future geothermal operations. Ithaca’s geology of Paleozoic sediments overlying Precambrian crystalline basement is typical of many continental interiors, so these results also provide insight into intraplate microseismicity patterns.
Geochemistry & Geophysics↗
Development of a Smart Alarm System for the CEBAF Injector
RadiaSoft and Jefferson Laboratory are working together to develop a machine-learning-based smart alarm system for the CEBAF injector. Because of the injector’s large number of parameters and possible fault scenarios, it is highly desirable to have an autonomous alarm system that can quickly identify and diagnose unusual machine states. We present our work on artificial neural networks designed to identify such undesirable machine states. In particular, we test both auto-encoders and inverse models as possible tools for differentiating between normal and abnormal states. These models are being developed using both supervised and unsupervised learning techniques, and are being trained using CEBAF injector data collected during dedicated machine studies as well as during regular operations. Lastly, we discuss tradeoffs between the two types of models.
Abell, D. T.↗
Spontaneous Imbibition Tests and Parameter Estimation in Volcanic Tuff
We present a dynamic laboratory spontaneous imbibition test and interpretation method, demonstrated on volcanic tuff samples from the Nevada National Security Site. The method includes numerical inverse modeling to quantify uncertainty of estimated two-phase fluid flow properties. As opposed to other approaches requiring multiple different laboratory instruments, the dynamic imbibition method simultaneously estimates capillary pressure and relative permeability from one test apparatus.
36 MATERIALS SCIENCE↗
Advancing Development of Emissions Detection (Final Report)
This document is the final report to the U.S. Department of Energy (DOE for contract DE-FE0031873) awarded to Colorado State University (CSU). CSU and partners at Harrisburg University of Science and Technology, University of Texas Arlington, and University of Texas at Austin organized several testing rounds to provide knowledge focused on advancing the detection capabilities of emissions monitoring devices. With this funding opportunity the research group began by establishing the Advancing the Development of Emission Detection (ADED) program, with the goal focused on enhancing the accuracy, reliability, and field applicability of methane detection technologies. This effort aimed to address the critical challenges of identifying and quantifying methane emissions while enabling industry stakeholders to meet regulatory compliance and environmental sustainability goals. The program engaged with industry, government, and technology stakeholders to promote adoption and consensus on testing techniques for methane detection solutions. Methane, a potent greenhouse gas, contributes significantly to global warming, and the oil and natural gas (O&G) sector is a primary source of methane emissions. Regulatory measures such as leak detection and repair (LDAR) programs have been implemented to address emissions. However, traditional LDAR approaches, reliant on handheld and component-level measurements, are resource-intensive. To address these limitations and move with evolving regulations, advanced methane technologies are emerging. These solutions include ground-based sensors, mobile systems (e.g., drones, vehicles, and aircraft), and satellite-based platforms. They offer innovative capabilities for autonomous monitoring, larger spatial coverage, and emission quantification using methods such as tracer gas techniques and inverse modeling with Gaussian plume analysis. The ADED program began with creating protocols for methane controlled release (CR) testing these continuous monitoring (CM) and survey technologies that detect and monitor methane emissions at O&G facilities. The protocols were then implemented throughout testing of CM and survey devices at CSU’s Methane Emissions Technology Evaluation Center (METEC) facility from 2021 through 2024. As apart of the protocol, solutions that tested under the ADED program installed their solutions at METEC, documented their system under test, and provided detection reports to the METEC team for analysis. The METEC team would provide the solutions with analyzed reports of their emissions and ground truth data of the releases conducted during their testing session. Under the ADED program, CMs were also tested at O&G facilities for a six week test run of challenge release (ChR) releases. The findings from the ADED program underscore the critical role of collaborative research and innovation in tackling methane emissions, offering a pathway for the oil and gas sector to achieve significant environmental and economic benefits. Results from METEC testing saw improvement of performance and accuracy across all solutions over the extent of the ADED experiments. The results also showed a variance in CM solution performance between CRs and ChRs. That variance pushed the team to further analyze the differences between CR testing environments and field conditions. With the drive from regulations and that variance in field conditions, the ADED team began designing a new CR testing protocol and additions to the METEC testing facility. The METEC team is furthering the progress made through the ADED program with awarded funding from DE-FE0032276. This funding pushes the development of METEC’s addition with new equipment, allowing for an updated facility layout. METEC still facilitates for traditional facilities, with a legacy pad, while expanding an new design based on how O&G infrastructure has Final Report - Contract Number: DE-FE0031873 been changed over the last decade. Throughout the ADED program the team has also been working with international partners to ensure staying in the trend globally. International partners have been essential in moving the new protocol forward to implement into CR testing at the METEC facility in Spring 2025.
42 ENGINEERING↗