DOE CO2 Transport Modeling
Presentation provided during the DOE Panel at the 2024 International Pipeline Conference. Presentation centers on the Smart CO2 Transport-Route Planning Tool, which is currently available for download on EDX.
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Presentation provided during the DOE Panel at the 2024 International Pipeline Conference. Presentation centers on the Smart CO2 Transport-Route Planning Tool, which is currently available for download on EDX.
The author has identified the following significant results. The study of the ERTS-1 imagery of Alaska indicates the following: that areas of different topographic expression affecting the distribution and character of permafrost can be distinguished clearly; that on the Arctic North Slope, regional differences in the distribution and character of permafrost-related oriented thaw lakes can be observed; that the distribution of certain types of geologic materials having a significant effect on the character of permafrost can be delineated on a regional scale; and that the resolution of the imagery is adequate to identify large scale geologic hazards such as landslides, glacier-dammed lakes, aufeis fields, etc. The information concerning the distribution and character of permafrost and geologic hazards to the gained in accomplishing the objectives of this project will be an invaluable aid in solving engineering-geologic and environmental problems related to route and site selection for structures such as roads, railroads, pipelines, and large installations; to distribution of natural construction materials; and to construction and maintenance.
The possibility of using hydrogen for storing and carrying energy obtained from nonfossil sources such as nuclear and solar energy is examined. According to the method proposed, these nonfossil raw energy sources will be used to obtain hydrogen from water by three basically distinct routes: (1) electrical generation followed by electrolysis; (2) thermochemical decomposition; and (3) direct neutron or ultraviolet irradiation of hydrogen bearing molecules. The hydrogen obtained will be transmitted in long-distance pipelines, and distributed to all energy-consuming sectors. As a fuel gas, hydrogen has many qualities similar to natural gas and with only minor modifications, it can be transmitted and distributed in the same equipment, and can be burned in the same appliances as natural gas. Hydrogen can also be used as a clean fuel (water is the only combustion product) for automobiles, fleet vehicles, and aircraft.
This one-page highlight details the key takeaways from a project that utilized NREL's Fleet Research, Energy Data, and Insights (FleetREDI) data analysis pipeline, an electrification analysis for the Bustang motorcoach fleet operated by All Aboard America! Holdings Inc. (AAA). NREL installed logging devices and collected operational data on nine 40-foot Bustang motorcoaches operating on fixed routes from May 2022 through August 2022. The analysis determined that partial fleet electrification may be feasible with electrified motorcoach options currently on the market. While this fleet faces significant challenges to electrification given current market options due to demanding range requirements and relatively limited charging opportunities, vehicles operating on the shorter, lower-grade routes along the I-25 corridor show more immediately available electrification potential. Increases in available battery capacity and the availability of fast-charging locations along I-70 routes are likely critical for electrification of the full fleet.
This study quantifies how throughput disruptions at major seaports cascade through capacity-constrained multimodal freight networks and interregional production systems. We couple an agent-based model (ABM) multimodal freight simulation that resolves rerouting, terminal queueing, and inventory drawdown under binding modal and facility capacities with a multiregional output loss input-output (MRIIM) model that propagates realized delivery shortfalls across regions and sectors. The framework is demonstrated for the Port of Los Angeles using Freight Analysis Framework flows and Bureau of Economic Analysis input-output accounts and is evaluated over a 52-week horizon under deterministic sector targeted shocks and stochastic disruption realizations with uncertain severity and duration. Results indicate nonlinear amplification: realized national losses concentrate in manufacturing and transportation/warehousing even when exogenous port shocks are dispersed, suggesting that congestion spillback and limited short-run substitution can dominate the initial shock allocation. We further evaluate a tabular reinforcement-learning (Q-learning) intervention layer that selects among a small set of implementable system level levers (truck-to-rail and truck-to-barge shift settings) without overriding shipper routing, finding that such interventions reduce total losses for moderate disruptions but yield diminishing returns once substitute modes approach capacity. By linking operational freight behavior to system wide impacts under uncertainty, the proposed ABM-MRIIM pipeline provides a reusable workflow for port disruption stress testing, identification of structurally critical sectors/corridors, and evaluation of resilience interventions under realistic capacity limits.
The Forward Silicon Tracker (FST) is a pivotal component of the forward upgrade of the Solenoidal Tracker at RHIC (STAR), designed to discern hadron charge signs with a momentum resolution better than 30% for 0.2 < p T < 2GeV/c in the 2.5 < η < 4 pseudorapidity range. Its compact design features three disks along the beam direction, minimized material budget, and scattering effects. The FST uses Hamamatsu’s p-in-n silicon strip sensors with a double metal layer that enables efficient signal routing to the readout electronics, enhancing overall detector performance. The flexible hybrid boards, essential for the readout system, are constructed with Kapton and copper layers to optimize signal handling and power distribution. These boards connect silicon strips to analogue pipeline ASIC APV25-S1 chips, which read up to 128 channels each. A cooling system with nonconducting, volatile NOVEC 7200 coolant at 22.2 °C mitigates ASIC-generated heat. Furthermore, the FST enhances forward tracking performance at STAR as an integral part of the forward upgrade.
The process of steel production is energy and carbon intensive with global average energy consumption of 5.5 MWh/tonne of steel and CO2 emission intensity of 1.83 tonne CO2/tonne of steel. The steel making process has inherent CO2 emissions from mineral conversion and is considered major contributors to the global carbon emissions. The steel industry is responsible for 8% of global carbon emissions. The main objective of this research project is to execute and complete a front-end engineering and design (FEED) study for a commercial-scale, carbon capture project that separates 95% of the total CO2 emissions at the ArcelorMittal’s Hot Briquetted Iron (HBI) plant in Portland, TX (Figure 1). The HBI is an ore-based metallic that is used as high-grade feedstock for high-quality steel via an Electric Arc Furnace (EAF) route. The HBI plant produces 2.0 million metric tonnes of high-quality HBI and emits approximately 1 million tonnes CO2/yr. The capture system is a Pressure Swing Adsorption (PSA) system assisted Cryocap™ FG technology (Figure 2). The captured CO2 will be pipeline grade and will be geologically stored in a facility within 10 miles of the CO2 source. The Host Site location in Corpus Christi, TX, is near hydrocarbon processing facilities and near Environmental Justice (EJ) and Qualified Opportunity Zone (QOZ) communities. Due to the location of the Host Site, the retrofit project offers the ability to demonstrate how a workforce focused on the fossil energy sector can be redirected to the clean- energy sector. The Air Liquide Cryocap™ capture technology is a proven technology and has been extensively examined for large industrial applications. It has been shown to be applicable to a variety of industrial applications including the steel industry. Cryocap™ FG (specific setup for Flue Gas application) consists of a Pressure Swing Adsorption (PSA) unit coupled with a Cryogenic System. The PSA pre-concentrates the CO2 from the flue gas, while the cryogenic unit enables the CO2 purity to be increased to the desired level. The scope of this study incorporates completing FEED study of the CO2 capture system which includes point-source CO2 capture and balance-of-plant; Business Case Analysis (BCA) outlining the current and projected volumes of the steel plant’s point sources of CO2 and the potential utilization of tax credits, including its projected revenue and duration; Life Cycle Analysis (LCA); Environmental Justice Analysis; Economic Revitalization and Job Creation Outcomes Analysis; and Workforce Readiness Plan. The plant design work was divided into two components: Inside Battery Limits (ISBL) and Outside Battery Limits (OSBL). The ISBL focuses on the capture system, while the OSBL focuses on the utility feeds and ducting from the plant to the capture system. Various design and engineering deliverables will be developed to define commodity quantities, equipment specifications, and labour effort required to execute the project. These FEED study deliverables will be prepared with the intent to develop an overall project capital cost estimate consistent with an AACE Class 3 estimate. The modular approach for the Cryocap™ FG that is being designed for this study integrates compression, PSA, and cryogenic “bricks” to achieve the desired CO2 capture rates. This carbon capture system integrates easily with the existing plant, thus reducing project costs and risks. It is also capable of managing impurities such as nitrogen oxides (NOx), sulfur oxides (SOx), mercury, hydrocarbons, and particulate matter. The capture system has a smaller footprint than amine-based systems. The two-step process uses PSA to preconcentrate the CO2 in the feedstream and then uses the cryogenic portion to purify and compress the resulting high purity CO2 product. This combination of purification and compression (i.e., process intensification) significantly reduces the CAPEX associated with use of a separate compressor commonly utilized for amine solvent-based systems. Successful completion of the FEED study will provide DOE with a detailed understanding of the costs for scaling up this proven capture technology for commercial applications at industrial facilities.
The incorporation of new or improved materials in aerospace systems, or indeed any systems, can yield tremendous payoffs in the system performance or cost, and in many cases can be enabling for a mission or concept. However, the availability of new materials requires advance development, and too often this is neglected or postponed, leaving a project or mission with little choice. In too many cases, the immediate reaction is to use what was used before; this usually turns out not to be possible and results in large sums of money, and amounts of time, being expended on reinvention rather than development of a material with extended capabilities. Material innovation and development is time consuming, with some common wisdom claiming that the timeline is at least 20 years. This time expands considerably when development is stopped and restarted, or knowledge is lost. Down selection of materials is necessary, especially as the Technical Readiness Level (TRL) increases. However, the costs must be considered and approaches should be taken to retain knowledge and allow for restarting the development process. Regardless of the exact time required, it is clear that it is necessary to have materials, at all stages of development, in a research and development pipeline and available for maturation as required. This talk will discuss some of theses issues, including some of the elements for a development path for materials. Some history of materials developments will be included. The usefulness of computational materials science, as a route to decreasing material development time, will be an important element of this discussion. Collaboration with outside institutions and nations is also critical for innovation, but raises the issues of intellectual property and protections, and national security (ITAR rules, for example).
This one-page highlight details the key takeaways from a project that utilized NREL's Fleet Research, Energy Data, and Insights (FleetREDI) data analysis pipeline, the Manhattan Beer Electrification Project. This project determined that Class-8 beverage distribution trucks operating in Manhattan show substantial electrification potential due to daily driving distances below 50 miles and low average speeds of 22mph or less. Their duty cycle needs can often be met by even modestly sized batteries and charging infrastructure. Vulnerable communities near their routes would benefit from fleet electrification.
Computer vision-based analysis of micrographs of nuclear materials is an emerging technique for property prediction, synthetic route identification, and other material analysis tasks. These analysis tasks play a pivotal role in many material characterization applications such as signature development for treaty verification, process optimization, etc. The backbone in many of the recent computer vision-based techniques is a deep learning model, which takes a fixed-size set of pixels and provides a class prediction for that set of pixels. For example, previous work developed a deep convolutional neural network (CNN) to predict the synthetic route from a 256 px x 256 px patch taken from a larger image of uranium ore concentrates. In this work, we present several methods for first calibrating these models in a manner that they can provide accurate probabilities of their predictions’ veracity, and several methods of combining these probabilities. Overall, the combination of these two steps into a pipeline allows for full-image and even full-sample (where a sample has many images) predictions with associated confidence values. Finally, we show that one can also use the patch predictions and confidence to produce a visualization to map predicted constituents through the image. Results and examples for predicting and mapping uranium ore concentrates’ synthetic process from imagery will be presented.
Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient data, particularly labeled data, for ML training. In this study, we report a data-efficient, deep-learning framework for molecular discovery that integrates a coarse-grained functional-group representation with a self-attention mechanism to capture intricate chemical interactions. Our approach exploits group-contribution concepts to create a graph-based intermediate representation of molecules, serving as a low-dimensional embedding that substantially reduces the data demands typically required for training. Using a self-attention mechanism to learn the subtle but highly relevant chemical context of functional groups, the method proposed here consistently outperforms existing approaches for predictions of multiple thermophysical properties. In a case study focused on adhesive polymer monomers, we train on a limited dataset comprising only 6,000 unlabeled and 600 labeled monomers. The resulting chemistry prediction model achieves over 92% accuracy in forecasting properties directly from SMILES strings, exceeding the performance of current state-of-the-art techniques. Furthermore, the latent molecular embedding is invertible, enabling the design pipeline to automatically generate new monomers from the learned chemical subspace. We illustrate this functionality by targeting several properties, including high and low glass transition temperatures (Tg), and demonstrate that our model can identify new candidates with values that surpass those in the training set. The ease with which the proposed framework navigates both chemical diversity and data scarcity offers a promising route to accelerate and broaden the search for functional materials.
NETL has developed the Smart CO2 Transport-Route Planning Tool to help inform energy transport planning and development. The stand-alone, open-source tool applies data-driven, geospatial and machine-learning informed logic to identify potential routes or evaluate existing corridors based on current legislation, best construction practices, and more. Underpinning the interactive tool, is NETL’s CO2 Transport Planning Database (https://edx.netl.doe.gov/dataset/ccs-pipeline-route-planning-database-v1). This geospatial resource contains more than 70 gigabytes of data representing more than 60 critical factors for the spatial routing of CO2 transport, including land use requirements, existing infrastructure, high consequence areas, and natural hazards.
PIFEX is a pipelined-image processor being built in the JPL Robotics Lab. It will operate on digitized raster-scanned images (at 60 frames per second for images up to about 300 by 400 and at lesser rates for larger images), performing a variety of operations simultaneously under program control. It thus is a powerful, flexible tool for image processing and low-level computer vision. It also has applications in other two-dimensional problems such as route planning for obstacle avoidance and the numerical solution of two-dimensional partial differential equations (although its low numerical precision limits its use in the latter field). The concept and design of PIFEX are described herein, and some examples of its use are given.
This project addresses two critical and intertwined challenges in fusion energy, namely the shortage of a broadly trained scientific workforce and the lack of scalable manufacturing solutions for plasma-facing components (PFCs). Through a collaboration among Florida International University (FIU), Miami Dade College (MDC), and Purdue University, the project established structured, reproducible educational and research pathways that recruit and advance students from institutions historically outside the fusion energy enterprise, building the human capital that this field urgently needs. The project integrates the complementary research strengths of FIU and Purdue to investigate flash sintering as a transformative processing route for tungsten-based PFCs. Unlike conventional sintering approaches, flash sintering offers rapid densification at significantly reduced thermal budgets, making it a compelling candidate for fabricating complex tungsten geometries that must withstand extreme plasma-facing environments. Systematic experimental and modeling efforts will elucidate the fundamental mechanisms governing microstructure evolution, grain boundary chemistry, and thermomechanical response during flash sintering — knowledge that is presently lacking but essential for translating this technology into reliable manufacturing practice. The convergence of workforce development and cutting-edge manufacturing research positions this project to deliver measurable, durable impact: a pipeline of fusion-ready researchers cultivated through expanded institutional partnerships, and a validated materials processing framework that accelerates domestic readiness for next-generation fusion reactor construction.
We present a materials generation framework that couples a symmetry-conditioned variational autoencoder with a differentiable SO(3) power spectrum objective to steer candidates toward a specified local environment under the crystallographic constraints. In particular, we implement a fully differentiable pipeline that performs batch-wise optimization on both direct and latent crystallographic representations. Using the GPU acceleration, the implementation achieves about fivefold speed compared to our previous CPU workflow, while yielding comparable outcomes. In addition, we introduce the optimization strategy that alternatively performs optimization on the direct and latent crystal representations. This dual-level relaxation approach can effectively escape local minima defined by different objective gradients, thus increasing the success rate of generating complex structures satisfying the target local environments. This framework can be extended to systems consisting of multi-components and multi-environments, providing a scalable route to generate material structures with the target local environment.
Tower data from 2017 to 2020 revealed that the U.S. Department of Energy’s Southern Great Plains (SGP) Atmospheric Radiation Measurements (ARM) observatory in Oklahoma exhibited significant CH 4 enhancements compared to other U.S. tower sites. On average, near-surface CH 4 at the ARM site was higher, had larger diurnal and seasonal variations, and had sharper near-surface increases at night compared to other tower sites in the U.S. A field campaign was conducted in June 2024 to identify and quantify the surrounding CH 4 emission sources by two researchers from the University of Oklahoma. During the campaign, a mobile measurement was conducted using a LI-COR 7810 tracer gas analyzer mounted on a vehicle during June 23-26, 2024 near the SGP site (within 7 km distance). We sampled CH 4 along predefined routes surrounding a suspected source, i.e., a large animal feeding operation (AFO) farm 5.8 km northwest of the SGP ARM site. Measurements were collected between 04:30 and 09:00 local time when the planetary boundary layer (PBL) was shallow, increasing sensitivity to surface emissions. Driving speed was kept below 5 mph to minimize pressure-related artifacts. CH 4 concentrations downwind of the AFO exceeded 6000 ppb on the early morning of June 26, corresponding to an emission rate of ~95 kg⋅hr -1 estimated using the mass balance method. Additional sources identified during the campaign include nearby open-range cattle and leaks from a nearby natural gas pipeline.
As large language models scale to trillions of parameters, their computational and memory requirements present critical challenges for efficient training and deployment. While Mixture of Experts (MoE) architectures enable efficient scaling through sparse parameter activation, and state-space models like Mamba offer linear-time complexity, principled methods for combining these paradigms remain undeveloped. We introduce HARMONY (Hybrid Architecture Research for Mamba, Optimized with Neural efficiencY), a multi-objective evolutionary neural architecture search framework for discovering efficient hybrid language models that integrate Transformer attention mechanisms, Mixture-of-Experts routing, and Mamba state-space components. Through large-scale distributed search using 16,384 MI250X GPUs on the Frontier supercomputer, HARMONY explores a comprehensive design space encompassing six attention variants (MHA, MQA, GQA, MLA, SWA, and Mamba-2), variable MoE configurations with both routed and shared experts, and extensive Mamba hyperparameters. Our framework discovers heterogeneous architectures that balance training performance with computational efficiency through multi-objective optimization incorporating latency penalties and fitness-based selection. Analysis of discovered architectures reveals that optimal hybrid designs favor heterogeneous component mixing rather than homogeneous patterns, with Mamba-2 and Multi-Head Latent Attention (MLA) emerging as preferred mechanisms. Discovered architectures demonstrate superior training efficiency: our best configuration achieves a final perplexity of 1.0874 with 2.38B parameters while processing 4,320 tokens/second, outperforming significantly larger manually designed models. Full-scale evaluation shows HARMONY's top architectures achieve better loss trajectories than equivalently-sized models using state-of-the-art configurations including Mixtral, Jamba, and Samba. Additionally, we demonstrate 91% weak scaling efficiency when training discovered 36B-parameter models across 1,024 GPUs. HARMONY is released as an open framework with comprehensive tools for building and training hybrid models using expert-data-pipeline parallelism, democratizing access to automated architecture design for next-generation language models.
Captured carbon dioxide (CO 2 ) streams contain impurities that must be removed to meet specifications for safe transport, storage, and utilization. Among these impurities, oxygen poses challenges due to its high reactivity and potential to cause corrosion, motivating stringent purity limits below 10 ppmv. Building on recent experimental demonstrations of catalytic oxygen removal using hydrogen (H 2 ), carbon monoxide (CO), methanol (CH 3 OH), and methane (CH 4 ) as reducing agents, this study presents a technoeconomic (TEA) and life cycle assessment (LCA) of these four catalytic purification pathways. Process flowsheets were developed and simulated in Aspen Plus for CO 2 streams representative of both low-temperature and high-temperature capture processes, with integrated heat recovery and energy optimization. Results showed that total purification costs were dominated by feedstock procurement and electricity consumption. Among the studied reducing agents, the CH 4 -assisted route achieved the lowest purification cost and highest CO 2 recovery. Sensitivity analyses showed that the H 2 route became competitive at H 2 prices below $\$$0.56/kg to $\$$0.84/kg, depending on the CO 2 feed temperature conditions. In conclusion, environmental impacts were primarily driven by indirect CO 2 emissions from raw material production and utility consumption.