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Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing
Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.
Controls and relationships of soil organic carbon abundance and persistence vary across pedo–climatic regions
One of the largest uncertainties in the terrestrial carbon cycle is the timing and magnitude of soil organic carbon (SOC) response to climate and vegetation change. This uncertainty prevents models from adequately capturing SOC dynamics and challenges the assessment of management and climate change effects on soils. Reducing these uncertainties requires simultaneous investigation of factors controlling the amount (SOC abundance) and duration (SOC persistence) of stored C. We present a global synthesis of SOC and radiocarbon profiles (n Profile = 597) to assess the timescales of SOC storage. We use a combination of statistical and depth–resolved compartment models to explore key factors controlling the relationships between SOC abundance and persistence across pedo–climatic regions and with soil depth. This allows us to better understand (i) how SOC abundance and persistence covary across pedo–climatic regions and (ii) how the depth dependence of SOC dynamics relates to climatic and mineralogical controls on SOC abundance and persistence. We show that SOC abundance and persistence are differently related; the controls on these relationships differ substantially between major pedo–climatic regions and soil depth. For example, large amounts of persistent SOC can reflect climatic constraints on soils (e.g., in tundra/polar regions) or mineral absorption, reflected in slower decomposition and vertical transport rates. In contrast, lower SOC abundance can be found with lower SOC persistence (e.g., in highly weathered tropical soils) or higher SOC persistence (e.g., in drier and less productive regions). We relate variable patterns of SOC abundance and persistence to differences in the processes constraining plant C input, microbial decomposition, vertical C transport and mineral SOC stabilization potential. This process–oriented grouping of SOC abundance and persistence provides a valuable benchmark for global C models, highlighting that pedo–climatic boundary conditions are crucial for predicting the effects of climate change and soil management on future C abundance and persistence.
Netload Range Cost Curves for Coordinated Transmission-Distribution Planning Under DER Growth Uncertainty
The increasing penetration of distributed energy resources (DERs) requires better coordination between transmission and distribution (T&D) planning to ensure system security and cost efficiency. However, misaligned planning horizons, computational burdens, and privacy concerns hinder effective coordination, leading to either underutilized resources caused by overinvestments or reliability risks due to underinvestment. To address this challenge, we introduce netload range cost curves (NRCCs), a novel approach for managing long-term DER growth uncertainty through T&D coordination, while preserving existing data-sharing and regulatory structures. NRCCs provide pairs of (i) peak substation netload guarantees and (ii) corresponding distribution upgrade options and costs, enabling their seamless integration into transmission planning workflows. To compute NRCCs efficiently, we develop a transmission-aware distribution network planning (TADNP), which is subsequently integrated to an iterative computation procedure. These NRCCs are then embedded into an NRCC-informed transmission planning model to enable resource-efficient coordination. We illustrate our proposed approach with a case study based on realistic distribution and transmission systems in the San Francisco Bay Area, California. Our results indicate the possibility of dramatic savings in transmission investments by incorporating the proposed NRCC-integrated T&D coordination framework.
PV Stormwater Management Research and Testing (PV-SMaRT) (Final Technical Report)
The objective of the Photovoltaic Stormwater Management Research and Testing (PV-SMaRT) project was to develop and disseminate research-based, solar-specific resources for estimating stormwater runoff at ground-mounted PV facilities and detail stormwater management and water quality best practices. The intended use of stormwater management and water quality best practices and stormwater runoff estimation resources is to reduce balance of system soft costs associated with stormwater infrastructure requirements and improve water quality through research-tested best practices. Currently, stormwater regulations and guidelines vary by jurisdiction and can lead to regulatory uncertainty and increased compliance costs for managing stormwater runoff at solar sites. To address these concerns, the NREL team and its partners (University of Minnesota, Great Plains Institute, and Fresh Energy) established and engaged an advisory Water Quality Task Force (WQTF); conducted field research on stormwater infiltration and runoff at five ground-mounted PV sites; validated a 3-D hydrologic model to predict water runoff and generate stormwater runoff coefficients for a range of site conditions and PV designs; developed a stormwater management and water quality best practices document; and engaged with local jurisdictions and other stakeholders to disseminate best practices, stormwater runoff coefficients, and other tools. Key outputs of this project were a PV-SMaRT Runoff Calculator developed by University of Minnesota, a webinar detailing project outcomes and how to use the PV-SMaRT runoff calculator, and a document on Best Practices for regulators and developers regarding stormwater runoff at PV sites.
Adaptive management of large-scale ecosystem restoration: increasing certainty of habitat outcomes in the Columbia River Estuary, U.S.A.
Ecological restoration programs in dynamic coastal environments can benefit from adaptive management, including an iterative process for identifying and addressing critical uncertainties. We highlight key developments under the three pillars that have increased the rate of restoration by the Columbia Estuary Ecosystem Restoration Program (CEERP) over 20 years: science, coordination, and management. We show how such programs can be institutionalized to ensure that estuary ecosystems are better understood, conserved, and restored. The principal conservation effort under CEERP is to reconnect historical floodplain wetlands to the mainstem. The program also supports other restoration actions that demonstrate a high potential to benefit ecosystem function and endangered salmon populations, however, there is greater uncertainty regarding these less-utilized techniques. Through adaptive management, we address both technical uncertainty regarding benefits to the environmental resource and programmatic uncertainty pertaining to decision-making. Here, we examine three periods of CEERP growth to establish how complementary research and restoration actions have improved program outcomes over time. We highlight the tools and processes that were developed and integrated into the program to refine program strategy, improve project design, and maximize ecological benefits. CEERP supported 77 restoration projects and reconnected over 7,000 acres of floodplain habitat to the lower Columbia River between 2004 and 2021. Building on these successes, we outline current plans to better engage landowners and local communities, solicit new project types, and maintain enough flexibility within the program to adapt to new priorities.
Managing Traffic on the Three-Way Street: Steps Toward Closing the Aerosol Forcing Uncertainty Gap
Understanding changes in the radiative forcing of climate is critical for any effort to attribute, mitigate, or predict climate change. Although greenhouse gases (GHGs) contribute most of the radiative forcing, uncertainty in the climate forcing by airborne particles (aerosols) dominates the uncertainty in forcing changes overall. Yet, aerosol forcing has remained virtually undiminished for more than 20 years despite considerable advances in most of the key contributing elements. Satellite and suborbital measurements, as well as modeling, each have essential roles to play in reducing the uncertainty in the aerosol forcing of climate. This presentation will begin by briefly covering the reasons why aerosols are important for climate study, and will then summarize what we are learning about aerosols from current satellite remote-sensing work, and allude to the roles of suborbital measurements and models. Emphasis will be placed on nascent efforts to link satellite data with models, the need to continue as planned current programs supporting advanced, global-scale satellite and surface-based aerosol and precursor gas observations, climate modeling, as well as intensive field campaigns aimed at characterizing the underlying physical and chemical processes involved. The talk will conclude by highlighting new efforts needed to obtain systematic in situ measurements of aerosol microphysical and chemical properties, along with a greater research focus on integrating the unique contributions of measurements and modeling toward reducing the aerosol climate forcing uncertainty gap.
Distributed Schemes for Integrated Arrival Departure Surface (IADS) Scheduling
The objective of the NRA is to investigate and develop integrated scheduling solutions for arrival, departure and surface operations. The option year briefing summarizes simulation-based analyses of the departure metering process to investigate strategic queue management strategies and their robustness to uncertainty, assess the impact of delaying departures at their gates on blocking the arrivals destined for the same gates, and evaluate the effects and benefits of relaxing current-day MIT constraints when ATD-2 is in operation.
Detecting the undetected: Dealing with non-routine events using advanced M&V meter-based savings approaches
In a rapidly evolving energy industry, utilities are dealing with new challenges like integrating distributed energy resources and market saturation for advanced lighting retrofits. Demand-side management programs require new approaches to meet aggressive carbon reduction goals. Advanced measurement & verification (M&V) is an energy data analysis method using smart meter data in combination with analytics to quantify energy efficiency project savings. Advanced M&V shows great promise for supporting next generation commercial programs including retro commissioning, multi-measure retrofits, and behavior change programs. Advanced M&V captures real project impacts at the meter, but sometimes non-project events can also impact consumption (so-called “non-routine events” [NREs]). Accurately detecting and accounting for NREs is important for reducing uncertainty of savings estimates and helps manage investment risk for different stakeholders (e.g., utilities, building owners, ESCOs). Recent research has shown promise in establishing data-driven techniques to identify and adjust for NREs, but fundamental questions still remain, such as: how can you distinguish NREs from acceptable noise in energy consumption profiles? What is the frequency and magnitude of NREs? Can their detection and adjustment be automated and streamlined? This paper documents the state of the art in NRE quantification and analysis. The results of research to quantify the frequency, nature and direction of NREs, and methods and metrics for determining a trigger threshold for taking action on NREs are presented. The paper also documents the latest technical guidance on application of NRE detection and adjustment methods.
Denoising Autoencoder for Reconstructing Sensor Observation Data and Predicting Evapotranspiration: Noisy and Missing Values Repair and Uncertainty Quantification
Abstract Machine learning (ML) methods applied in scientific research often deal with interrelated features in high‐dimensional data. Reducing data noise and redundancy is needed to increase prediction accuracy and efficiency especially when dealing with data from field sensors. We explored an unsupervised learning method, the denoising autoencoder (DAE), to extract the underlying data structure from noisy raw data in the context of predicting hydrologic quantities from multiple field sensors. These sensors have intrinsic instrumental noise and occasional malfunctions that cause missing values. Our DAE neural network reconstructed meteorological sensor data containing noise and missing values to predict evapotranspiration in a mountainous watershed. The DAE reconstructed the sensor variables with a mean coefficient of determination value of 0.77 across 15 dimensions representing individual sensors. It reduced variance and bias uncertainties compared to a classical autoencoder model. The reconstruction quality varied across dimensions depending on their cross‐correlation and alignment with the underlying data structure. Uncertainties arising from the model structure were overall higher than those resulting from data corruption. We attached the DAE structure to a downstream ET‐prediction neural network in three formats and achieved reasonably accurate ET predictions . The use of the DAE notably reduced variance uncertainty in ET prediction. However, excessive variance reduction may be accompanied by an increase in bias due to the intrinsic bias‐variance tradeoff. Our method of evaluating and reducing uncertainties in aggregated data from different sources can be used to improve predictive models, process understanding, and uncertainty quantification for better water resource management. Plain Language Summary We present a machine learning method, namely the denoising autoencoder, which reduces the effects of data noise and missing values typically present in scientific data sets collected through sensor measurements. This method selects the most relevant information from noisy raw data collected by the instruments and fills in missing values. To demonstrate the effectiveness of our method, we applied it to predict evapotranspiration, a hydrologic variable that represents the water moved from the land surface to the atmosphere through a combination of evaporation and plant water use (transpiration). We also used a random sampling technique (the Monte Carlo method) to compare the uncertainty in the predictions when using the raw and noisy data versus the reconstructed data. The denoising process produced more accurate predictions of evapotranspiration with less uncertainty. Improved predictions of evapotranspiration can lead to a better understanding and accounting of water budgets. This ML approach is broadly suitable for a wide variety of applications that involve noisy sensor data with missing values. Key Points We used a denoising autoencoder (DAE) neural network to reduce noise in meteorological and soil sensor observations by on average We used Monte Carlo sampling to estimate the bias and variance of all model outputs, including uncertainty sources from data and the model We attached the DAE component to a downstream neural network to predict ET with the variance reduced by , compared to that without the DAE
Analysis of Multi-Flight Common Routes for Traffic Flow Management
When severe convective weather requires rerouting aircraft, FAA traffic managers employ severe weather avoidance plans (e.g., Playbook routes, Coded Departure Routes, etc.) These routes provide pilots with safe paths around weather-affected regions, and provide controllers with predictable, and often well-established flight plans. However, they often introduce large deviations to the nominal flight plans, which may not be necessary as weather conditions change. If and when the imposed traffic management initiatives (TMIs) become stale, updated shorter path flight trajectories may be found en route, providing significant time-savings to the affected flights. Multiple Flight Common Routes (MFCR) is a concept that allows multiple flights that are within a specified proximity or region, to receive updated shorter flight plans in an operationally efficient manner. MFCR is believed to provide benefits to the National Airspace System (NAS) by allowing traffic managers to update several flight plans of en route aircraft simultaneously, reducing operational workload within the TMUs of all affected ARTCCs. This paper will explore some aspects of the MFCR concept by analyzing multiple flights that have been selected for rerouting by the NAS Constraint Evaluation and Notification Tool (NASCENT). Various methods of grouping aircraft with common or similar routes will be presented, along with a comparison of the efficacy of these methods.
A game theoretic controller for a linear time-invariant system with parameter uncertainty and its application to the Space Station
A game theoretic controller is developed for a linear time-invariant system with parameter uncertainties in system and input matrices. The input-output decomposition modeling for the plant uncertainty is adopted. The uncertain dynamic system is represented as an internal feedback loop in which the system is assumed forced by fictitious disturbance caused by the parameter uncertainty. By considering the input and the fictitious disturbance as two noncooperative players, a differential game problem is constructed. It is shown that the resulting time invariant controller stabilizes the uncertain system for a prescribed uncertainty bound. This game theoretic controller is applied to the momentum management and attitude control of the Space Station in the presence of uncertainties in the moments of inertia. Inclusion of the external disturbance torque to the design procedure results in a dynamical feedback controller which consists of conventional PID control and cyclic disturbance rejection filter. It is shown that the game theoretic design, comparing to the LQR design or pole placement design, improves the stability robustness with respect to inertia variations.
Megadroughts in the Common Era and the Anthropocene
Megadroughts, often lasting multiple decades, have caused major ecological and societal disturbances in the past. While most research has focused on megadroughts in North America, the concept has gained increased international attention in recent years. In this Review, we discuss shared causes and features of Common Era and future megadroughts. Paleoclimate reconstructions spanning the last 2,000 years document the occurrence of megadroughts on every continent, save Antarctica. Megadroughts are often linked to decadal variations in sea surface temperatures, with radiative forcing and land-atmosphere interactions acting as secondary factors. Anthropogenic climate change has already contributed to recent megadroughts in southwestern North America and Chile-Argentina and will likely increase future megadrought risk and severity in many regions. Notably, future megadroughts will be differentiated from past events through higher temperatures, which act as the main driver of increased risk, severity, and impacts. Major deficiencies in our understanding of natural and anthropogenic megadrought processes remain, however. These include 1) sparse high-resolution paleoclimate information over some regions, 2) incomplete representations of internal variability and land-surface processes in climate models, and 3) the undetermined capacity of water-resource management systems to manage megadrought impacts. Resolving these key uncertainties will be necessary to increase confidence in projections of future megadrought risk and resiliency planning.
MAGE: Alleviating Uncertainty in Real-Time Decision-Making as a Function of Problem Complexity
In this paper, we discuss a critical aspect of uncertainty in the operation of complex systems, such as the future air traffic: the ability of agents in the system to arrive at satisfactory decisions and the attendant actions as a function of problem complexity. Intuitively, when the problem complexity is manageable, given an appropriate decision problem formulation and solution tools, an agent (computational or human) has no trouble arriving at a solution that yields good outcomes for the agent and the system. Growing problem complexity results in progressively larger computational problems that may yield suboptimal solutions or even be intractable within required time limits or at all. We propose a measurable representation of complexity in terms of problem tractability and quality of solutions. We also propose a computational scheme, MAGE (Monitor, Anticipate, Guide, Evolve), for detecting approaching transitions from efficient decision-making states to inefficient to unsafe ones, so that operations based on decision-making can be reconfigured to forestall unfavorable transitions, returning to efficient modes when complexity diminishes. Maintaining tractable complexity reduces the uncertainty in the outcomes of decision-making. We describe the general scheme, an outline of MAGE applied to managing airspace complexity, and initial examples of investigating the tractability of problem-solving schemes.
AI/ML-Enhanced Wind Forecasts for Reducing Uncertainty in Prescribed Fire Planning
Prescribed fire is a vital tool for ecosystem management and wildfire risk reduction but its escalation is constrained by overly conservative burn windows because of uncertainties, for instance, in wind forecasts. This review describes the state of the art in weather product use by fire/smoke models and identifies three priority research gaps that artificial intelligence/machine learning (AI/ML) is well positioned to address: (1) spatial and temporal downscaling to meter-scale, sub-hourly wind fields; (2) bias correction for systematic model errors in complex terrain; and (3) robust uncertainty quantification to inform ensemble-based simulations. Emerging AI/ML techniques offer promising frameworks to address all three challenges. By providing high-resolution, bias-corrected, and probabilistic wind fields, AI/ML-enhanced forecasts will allow for expanded burn windows, improved ignition strategy design and a reduced reliance on expert intuition, especially when a prescribed fire is introduced into new areas.
Models and Strategies for Optimal Demand Side Management in the Chemical Industries
Deregulation and the increase of renewable electricity generation from wind and solar photovoltaics have transformed the U.S. electricity market. Economic and environmental benefits notwithstanding, the presence of renewables has increased variability and uncertainty on the supply side of the grid. Managing demand, rather than generation – a strategy referred to as “demand response (DR)” – is an attractive approach for mitigating this imbalance. DR efforts aim to reduce electricity usage during peak demand times, lessening stress on the grid. Industrial users are particularly attractive entities for DR participation since they present large, localized loads that can provide significant relief on grid demand and –unlike other large loads, such as buildings – are minimally dependent on human needs and preferences. In this project, we accomplished three main objectives. (1) We developed data-driven low-order DR scheduling-relevant dynamic models of chemical processes. Concurrently, we studied the formulation and solution of the associated optimal DR production scheduling problems. (a) A prototype air separation unit (ASU) model was used to generate simulated operating data for initial modeling efforts, which enabled the later use of industrial data for data-driven modeling. (b) We utilized Hammerstein-Wiener (HW) and Finite Step Response (FSR) models to represent nonlinear plant dynamics. (c) The HW models were linearized using exact linearization so they could potentially be embedded in power system models, which are formulated as mixed integer linear programs (MILPs). (d) We solved DR optimization problems under uncertainty and found that even naïve predictions of electricity price and product demand led to significant cost savings benefits. (2) Our DR scheduling optimization problem formulations are amenable to real-time solution. (a) We utilized Lagrangian Relaxation (LR) to efficiently solve the optimization problem by decoupling subproblems linked by complicating constraints. (b) We have achieved computation times for the 3-day DR scheduling problem of an ASU as low as 1.88 minutes. (3) Our representations of the DR behavior of chemical process as grid-level batteries were embedded in power system models. (a) For a small-scale grid, we found that incorporating the dynamics of the chemical plant in the optimal power flow calculations resulted in better resource management leading to up to 15% and 46% cost reduction for the grid and chemical plant operations, respectively, during periods of power line congestion. We have published several works dedicated to modeling and solving DR optimization problems from the user side. These were published in top peer-reviewed journals and are summarized in this report. The most recent work (and papers in preparation) considers DR scheduling from the grid side. Future efforts will consider networked plants (e.g., air separation units operating on a common pipeline) for DR participation, which is expected to amplify the capabilities of industrial DR participants to perform load-shifting. Our consideration of uncertainty in DR has inspired future directions in this area as well: we plan to develop multistage methods to fully account for the effects of uncertainty in DR scheduling.
Collaborative Seamless Manager for Airspace Resources and Traffic
In today's NAS, airlines conduct pre-departure flight planning with limited information about traffic congestion. Then, as events evolve (pre-departure, on the surface, or inflight) and are impacted by congestion, limited options for changing flight plans are offered to the airlines, and, in some cases, flight plans are changed by air traffic managers on behalf of the airlines. For the airlines, this produces flight plan uncertainty and possible disruption to their business plans. The Collaborative Seamless Manager of Airspace Resources and Traffic (CSMART) is a tool being developed for the 2045 Next Gen System that will enhance the airlines' ability to flight plan, both pre-departure and during flight. CSMART achieves this, using the UTM architecture approach, by connecting via the internet airlines with other airlines and airlines with FAA agents. Flight plans, including digital, discrete planned trajectories with tolerances, are passed through the connection. Planned trajectories are used to create probabilistic predictions of when and where congestion will occur. Pre-departure, airline agents will use the predictions to collaboratively and seamlessly create flight plans that avoid congestion or go through it, depending on business objectives. In cases, where demand exceeds capacity and priorities need to be set, airline agents will have the ability to negotiate with each other to set them. Moreover, if flights are impacted by congestion during flight, CSMART will allow airlines more real-time decision making options for changing flight plans. This seminar presents the general CSMART concept and tool and research needed to develop it.
Hurricane-induced power outage risk under climate change is primarily driven by the uncertainty in projections of future hurricane frequency
Nine in ten major outages in the US have been caused by hurricanes. Long-term outage risk is a function of climate change-triggered shifts in hurricane frequency and intensity; yet projections of both remain highly uncertain. However, outage risk models do not account for the epistemic uncertainties in physics-based hurricane projections under climate change, largely due to the extreme computational complexity. Instead they use simple probabilistic assumptions to model such uncertainties. Here, we propose a transparent and efficient framework to, for the first time, bridge the physics-based hurricane projections and intricate outage risk models. We find that uncertainty in projections of the frequency of weaker storms explains over 95% of the uncertainty in outage projections; thus, reducing this uncertainty will greatly improve outage risk management. We also show that the expected annual fraction of affected customers exhibits large variances, warranting the adoption of robust resilience investment strategies and climate-informed regulatory frameworks.