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NASA NTRS2021

Importance of Trade Dependencies for Agricultural Inputs: A Case Study of Finland

Approximately 80% of the world's population lives in countries that are dependent on food imports to sustain an adequate food supply. Besides these food imports, further dependencies also arise due to the requirements for agricultural inputs, including energy, fertilisers, feed and agricultural machinery. While the trade of agricultural inputs is relatively well represented in economic analysis, the quantification is often in terms of monetary values, and thus the assessments of the actual input quantities are very limited. In this paper, we develop a framework for analysis of the traded input quantities at the country-level and demonstrate its utility through an in-depth analysis of Finland's dependency on agricultural inputs. Further, we assess the importance of these inputs for domestic food production from a resilience perspective. We find that Finland, a country with relatively high food self-sufficiency but also a great dependency on imported agricultural inputs, experienced an increase in its dependency over the period 1996-2016. In case of trading partners, the story is more mixed: while trading partners for soybeans increased, those decreased in case of electricity while no significant change was observed in other commodities. In Finland, the rapeseed dependency on imports (ratio of net imports and consumption) grew from around 0% to almost 50% between the years 1987-2013. Changes for electricity remained substantially smaller, with dependency only slightly growing during the study period. Crude oil and soybean supplies are totally dependent on imports as neither is produced in Finland. Interestingly, the highest dependencies for agricultural inputs were on different countries than that for foodstuff imports. Thus, when identifying and assessing approaches to increase resilience to trade-related shocks, it is essential to understand both foodstuff and agricultural input dependencies within the global food system.

trade dependencies↗

DOE OSTI2020

An Overview of Behind-the-Meter Solar-Plus-Storage Regulatory Design: Approaches and Case Studies to Inform International Applications

Behind-the-meter energy storage systems paired with distributed photovoltaic (DPV) - with the capability to act as both generation and load - represent a unique and disruptive power sector technology capable of providing a range of important services to customers, utilities, and the broader power system. How should regulators, utilities, and policymakers manage the range of challenges and opportunities that increased behind-the-meter energy storage deployment will bring to the power system, in particular when these systems are paired with DPV? This report is intended to offer key regulatory considerations for facilitating DPV-plus-storage programs for retail customers; relevant cases from U.S. states are provided as examples of how novel regulatory issues related to behind-the-meter energy storage systems paired with DPV are being addressed in practice. At a high level, designing a regulatory framework that aligns DPV-plus-storage deployment with larger policy objectives requires thoughtful deliberation across a range of technical and economic issues. While this report attempts to segment many of these issues into distinct topics to enhance reader understanding, in reality, DPV-plus-storage regulatory issues are all closely integrated, and design decisions on a single aspect often have broader implications. With that in mind, this report outlines a series of steps that can be employed by regulators to approach DPV-plus-storage regulatory design.

14 SOLAR ENERGY↗

NASA NTRSDate not supplied

A Blockchain Case Study for Urban Air Mobility Operational Intent

To realize the potential of Urban Air Mobility (UAM), an assurance of cybersecurity is critical for public acceptance. UAM is a concept that proposes to develop short-range, point-to-point transportation systems in metropolitan areas using vertical takeoff and landing (VTOL) aircraft to overcome increasing surface congestion. The growth in the development of UAM systems, and the associated data exchange and service interactions will be at risk due to numerous types of cybersecurity attacks. The intent of this work is to leverage a permissioned blockchain to simulate secure data exchange and storage for the UAM operational intent use case.

UAM↗

NASA NTRS2023

A Blockchain Case Study for Urban Air Mobility Operational Intent

UAM↗

NASA NTRS2020

Sensitivities in Satellite Lidar‐Derived Estimates of Daytime Top‐of‐the‐Atmosphere Optically Thin Cirrus Cloud Radiative Forcing: A Case Study

An optically thin cirrus cloud was profiled concurrently with nadir‐pointing 1,064 nm lidars on 11 August 2017 over eastern Texas, including NASA's airborne Cloud Physics Lidar (CPL) and space‐borne Clouds and Aerosol Transport System (CATS) instruments. Despite resolving fewer (37% vs. 94%) and denser (i.e., more emissive) clouds (average cloud optical depth of 0.10 vs. 0.03, respectively), CATS data render a near‐equal estimate of the top‐of‐atmosphere (TOA) net cloud radiative forcing (CRF) versus CPL. The sample‐relative TOA net CRF solved from CPL is 1.39 W/m2, which becomes 1.32 W/m2 after normalizing by occurrence frequency. Since CATS overestimates extinction for this case, the sample‐relative TOA net forcing is ~3.0 W/m2 larger than CPL, with the absolute value reduced to within 0.3 W/m2 of CPL due its underestimation of cloud occurrence. We discuss the ramifications of thin cirrus cloud detectability from satellite and its impact on attempts at TOA CRF closure.

Erica K. Dolinar↗

DOE OSTI2025

Scenario Generation for Built Environment Decision Support under Uncertainty: Case Studies of Airflow Modeling and Climate-Resilient Infrastructure System Design

When confronted with unforeseen challenges, practicing informed decision making is crucial for enhancing resilience in the built environment. While scan-to-building information modeling (BIM) is a well-established approach for creating detailed digital representations of physical assets, its application in assessing and improving infrastructure resilience remains underexplored. This study addresses this gap by proposing a novel application of scan-to-BIM, namely, scan-to-BIM-to-digital twin (S-BIM-DT) workflow. By integrating reality capture and digital twin technologies, this workflow creates continuously updated and accurate digital representations of physical assets, enabling the generation of various scenarios. Unlike traditional methods, the S BIM-DT workflow facilitates continuous model refinement, supporting informed resilience strategies. By combining these technologies into a cohesive process, the workflow facilitates decision making under uncertainty, enabling stakeholders to evaluate and respond to various scenarios effectively. We demonstrate the implementation of the S-BIM-DT workflow through two use cases that highlight its capability to enhance resilience at different scales. The first use case involves the Combined Transportation, Emergency, and Communications Center (CTECC) in Austin, Texas. BIM-enriched computational fluid dynamics (CFD) modeling simulates airflow and develops alternative scenarios for optimizing the heating, ventilation, and air conditioning (HVAC) systems. This approach enhances resilience against airborne health threats in a postCOVID context. The second use case focuses on designated areas within Beaumont, Texas, as part of the Southeast Texas Urban Integrated Field Laboratory (SETx-UIFL) research. By developing inundation maps to assess extreme weather events, this modeling aids in preparedness efforts and informs the development of climate-resilient infrastructure in vulnerable neighborhoods. Results indicate that the S-BIM-DT workflow effectively generates scenarios that enhance resilience in the built environment by facilitating informed decision making. Furthermore, this study serves as a bridge between advanced scan-to-BIM methodologies and the practical strategies needed to improve built infrastructure resilience.

Built environment↗

DOE OSTI2024

Efficient Parameterization of Density Functional Tight-Binding for 5 f -Elements: A Th–O Case Study

Density functional tight binding (DFTB) models for f-element species are challenging to parametrize owing to the large number of adjustable parameters. The explicit optimization of the terms entering the semiempirical DFTB Hamiltonian related to f orbitals is crucial to generating a reliable parametrization for f-block elements, because they play import roles in bonding interactions. However, since the number of parameters grows quadratically with the number of orbitals, the computational cost for parameter optimization is much more expensive for the f-elements than for the main group elements. In this work we present a set of efficient approaches for mitigating the hurdle imposed by the large size of the parameter space. A novel group-by-orbital correction functions for two-center bond integrals was developed. With this approach the number of parameters is reduced, and it grows linearly with the number of elements, maintaining the accuracy and the number of parameters, in the case of f elements, by more than 40%. The parameter optimization step was accelerated by means of the mini-batch BFGS method. This method allows parameter optimizations with much larger training sets than other single batch methods. A stochastic optimizer was employed that helped overcome shallow local minima in the objective function. The proposed algorithm was used to parametrize the DFTB Hamiltonian for the Th–O system, which was subsequently applied to the study of ThO 2 nanoparticles. The training set consisted of 6322 unique structures, which is barely feasible with conventional optimization methods. The optimized parameter set, LANL-ThO, displays good agreement with DFT-calculated properties such as energies, forces, and structures for both clusters and bulk ThO 2 . Benefiting from the fewer number of parameters and lower computational costs for objective function evaluations, this new approach shows its potential applications in DFTB parametrization for elements with high angular momentum, which present a challenge to conventional methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2021

Changes in the Magnetic Field Topology and the Dayside/Nightside Reconnection Rates in Response to a Solar Wind Dynamic Pressure Front A Case Study

One of the most significant observations associated with a sharp enhancement in solar wind dynamic pressure, SWP, is the poleward expansion of the auroral oval and the closing of the polar cap. The polar cap shrinking over a wide range of magnetic local times (MLTs), in connection with an observed increase in ionospheric convection and the transpolar potential, led to the conclusion that the nightside reconnection rate is significantly enhanced after a pressure front impact. However, this enhanced tail reconnection has never been directly measured. We demonstrate the effect of a solar wind dynamic pressure front on the polar cap closure, and for the first time, measure the enhanced reconnection rate in the magnetotail, for a case occurring during southward background Interplanetary Magnetic Field (IMF) conditions. We use Polar Ultra-Violet Imager (UVI) measurements to detect the location of the open-closed field line boundary, and combine them with Assimilative Mapping of Ionospheric Electrodynamics (AMIE) potentials to calculate the ionospheric electric field along the polar cap boundary, and thus evaluate the variation of the dayside/nightside reconnection rates. We find a strong response of the polar cap boundary at all available MLTs, exhibiting a significant reduction of the open flux content. We also observe an immediate response of the dayside reconnection rate, plus a phased response, delayed by 15–20min, of the nightside reconnection rate. Finally, we provide comparison of the observations with the results of the Open Geospace General Circulation Model (OpenGGCM), elucidating significant agreements and disagreements

A Boudouridis↗

NASA NTRS2019

Assimilation of GPM Retrieved Surface Meteorology Variables with ICE-POP Case Studies

Built upon Tropical Rainfall Measuring Mission (TRMM) legacy for next-generation global observation of rain and snow. The GPM has a broad global coverage ~70°S – 70°N with a swath of 245/125-km for the Ka (35.5 GHz)/Ku (13.6 GHz) band radar, and 850-km for the 13-channel GMI. GPM also features better retrievals for heavy, moderate, and light rain and snowfall.

GPM retrieval product↗

DOE OSTI2024

Case Studies in Leveraging Performance Contracts for Resilience Projects

The resilience of federal facilities has become increasingly important among lawmakers, agency leadership, and the American public as high impact natural hazards occur more frequently over time. Resilience is broadly defined as the ability of a federal facility to withstand, respond to, and recover rapidly from disruptions to maintain critical functions. The Department of Energy (DOE) Federal Energy Management Program (FEMP) was codified to facilitate the strengthening of federal energy and water efficiency and resilience. Performance contracting is one of the mechanisms through which federal agencies can finance projects at their facilities, but resilience improvement measures do not always result in utility cost savings, which are the primary driver behind performance contracts. This report provides example cases where performance contracts, specifically energy savings performance contracts (ESPC) or utility energy service contracts (UESCs), were used to implement a resilience measure at a federal facility.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS2010

Correlated Topics in a Scalable Multidimensional Text Cube: Algorithms and Aviation Safety Case Study

As world-wide air traffic continues to grow even at a modest pace, the overall complexity of the system will increase significantly. This increased complexity can lead to a larger number of fatalities per year even if the extremely low fatality rate that we currently enjoy is maintained. One important source of information about the safety of the aviation system is in Aviation Safety Text Reports which are written by members of the flight crew, air traffic controllers, and other parties involved with the aviation system. These anonymized narrative reports contain fixed-field contextual information about the flight but also contain free-form narratives that describe, in the author s own words, the nature of the safety incident and, in many cases, the contributing factors that led to the safety incident. Several thousand such reports are filed each month, each of which is read and analyzed by highly trained experts. However, it is possible that there are emerging safety issues due to the fact that they may be reported very infrequently and in different contexts with different descriptions. The goal of this research paper is to develop correlated topic models which uncover correlations in the subspaces defined by the intersection of numerous fixed fields and discovered correlated topics. This task requires the discovery of latent topics in the text reports and the creation of a topic cube. Furthermore, because the number of potential cells in the topic cube is very large, we discuss novel methods of pruning the search space in the topic cells, thereby making the analysis feasible. We demonstrate the new algorithms on an analysis of pilot fatigue and its contributing factors, as well as the safety incidents that are correlated with this phenomenon.

Zhao, Bo↗

DOE OSTI2020

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond

While Diffusion Monte Carlo (DMC) is in principle an exact stochastic method for ab initio electronic structure calculations, in practice, the fermionic sign problem necessitates the use of the fixed-node approximation and trial wavefunctions with approximate nodes (or zeros). This approximation introduces a variational error in the energy that potentially can be tested and systematically improved. Here, we present a computational method that produces trial wavefunctions with systematically improvable nodes for DMC calculations of periodic solids. These trial wavefunctions are efficiently generated with the configuration interaction using a perturbative selection made iteratively (CIPSI) method. A simple protocol in which both exact and approximate results for finite supercells are used to extrapolate to the thermodynamic limit is introduced. This approach is illustrated in the case of the carbon diamond using Slater–Jastrow trial wavefunctions including up to one million Slater determinants. Fixed-node DMC energies obtained with such large expansions are much improved, and the fixed-node error is found to decrease monotonically and smoothly as a function of the number of determinants in the trial wavefunction, a property opening the way to a better control of this error. The cohesive energy extrapolated to the thermodynamic limit is in close agreement with the estimated experimental value. Interestingly, this is also the case at the single-determinant level, thus, indicating a very good error cancellation in carbon diamond between the bulk and atomic total fixed-node energies when using single-determinant nodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Backup Power Performance of Solar-plus-Storage Systems during Routine Power Interruptions: A Case Study Application of Berkeley Lab’s PRESTO Model

This technical brief estimates the expected performance of a solar photovoltaic and energy storage system (PVESS) for providing backup power during short-duration power interruption events, accounting for the unpredictable nature of those events. The analysis relies on the Power Reliability Event Simulation TOol (PRESTO), a publicly available model developed by Berkeley Lab to simulate the occurrence of short-duration power interruption events at the county-level. A separate storage dispatch model is then used to simulate PVESS operation and backup performance for each of the large number of interruption events produced by PRESTO. In performing this simulation, the analysis accounts for how the customer operates its battery on a day-to-day basis—in this case, we assume the battery is cycled each day in response to time-of-use rates—and how that, in turn, impacts the battery’s state of charge at the beginning of each interruption event. The analysis presented here is intended to demonstrate an application of the PRESTO model as well as to illustrate some of the key determinants of PVESS backup power performance during short-duration power interruption events. The analysis focuses initially on a typical single-family home in Maricopa County, Arizona, and includes a limited set of scenarios related to system sizing, backup power configuration, and whether the customer charges its battery storage system from the grid during normal operating conditions. The analysis also presents comparative results for two other counties, in Massachusetts (Middlesex) and California (Los Angeles), illustrating how regional differences in climate, interruption patterns, and retail rate structures can affect PVESS performance as a backup power source. In the conclusions, we highlight a number of other important considerations for evaluating PVESS backup power capabilities.

14 SOLAR ENERGY↗

DOE OSTI2025

Improving photovoltaic hosting capacity of distribution networks with coordinated inverter control: A case study of the EPRI J1 feeder

Abstract Adding photovoltaic (PV) systems in distribution networks, while desirable for reducing the carbon footprint, can lead to voltage violations under high solar‐low load conditions. The inability of traditional volt‐VAr control in eliminating all the violations is also well‐known. This article presents a novel coordinated inverter control methodology that leverages system‐wide situational awareness to significantly improve hosting capacity (HC). The methodology employs a real‐time voltage‐reactive power (VQ) sensitivity matrix in an iterative linear optimizer to calculate the minimum reactive power intervention from PV inverters needed for mitigating over‐voltage without resorting to active power curtailing or requiring step voltage regulator setting changes. The algorithm is validated using the EPRI J1 feeder under an extensive set of realistic use cases and is shown to provide 3x improvement in HC under all scenarios.

Dalal, Dhaval [School of Electrical, Computer, and↗

DOE OSTI2023

Spin-state gaps and self-interaction-corrected density functional approximations: Octahedral Fe(II) complexes as case study

Accurate prediction of a spin-state energy difference is crucial for understanding the spin crossover phenomena and is very challenging for density functional approximations, especially for local and semi-local approximations due to delocalization errors. Here, we investigate the effect of the self-interaction error removal from the local spin density approximation (LSDA) and Perdew–Burke–Ernzerhof generalized gradient approximation on the spin-state gaps of Fe(II) complexes with various ligands using recently developed locally scaled self-interaction correction (LSIC) by Zope et al. [J. Chem. Phys. 151, 214108 (2019)]. The LSIC method is exact for one-electron density, recovers the uniform electron gas limit of the underlying functional, and approaches the well-known Perdew–Zunger self-interaction correction (PZSIC) as a particular case when the scaling factor is set to unity. Our results, when compared with reference diffusion Monte Carlo results, show that the PZSIC method significantly overestimates spin-state gaps favoring low spin states for all ligands and does not improve upon density functional approximations. The perturbative LSIC-LSDA using PZSIC densities significantly improves the gaps with a mean absolute error of 0.51 eV but slightly overcorrects for the stronger CO ligands. Finally, the quasi-self-consistent LSIC-LSDA, such as coupled-cluster single double and perturbative triple [CCSD(T)], gives a correct sign of spin-state gaps for all ligands with a mean absolute error of 0.56 eV, comparable to that of CCSD(T) (0.49 eV).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1992

Issues in knowledge representation to support maintainability: A case study in scientific data preparation

Scientific data preparation is the process of extracting usable scientific data from raw instrument data. This task involves noise detection (and subsequent noise classification and flagging or removal), extracting data from compressed forms, and construction of derivative or aggregate data (e.g. spectral densities or running averages). A software system called PIPE provides intelligent assistance to users developing scientific data preparation plans using a programming language called Master Plumber. PIPE provides this assistance capability by using a process description to create a dependency model of the scientific data preparation plan. This dependency model can then be used to verify syntactic and semantic constraints on processing steps to perform limited plan validation. PIPE also provides capabilities for using this model to assist in debugging faulty data preparation plans. In this case, the process model is used to focus the developer's attention upon those processing steps and data elements that were used in computing the faulty output values. Finally, the dependency model of a plan can be used to perform plan optimization and runtime estimation. These capabilities allow scientists to spend less time developing data preparation procedures and more time on scientific analysis tasks. Because the scientific data processing modules (called fittings) evolve to match scientists' needs, issues regarding maintainability are of prime importance in PIPE. This paper describes the PIPE system and describes how issues in maintainability affected the knowledge representation used in PIPE to capture knowledge about the behavior of fittings.

Chien, Steve↗

DOE OSTI2021

Using computational singular perturbation as a diagnostic tool in ODE and DAE systems: a case study in heterogeneous catalysis

We have extended the computational singular perturbation (CSP) method to differential algebraic equation (DAE) systems and demonstrated its application in a heterogeneous-catalysis problem. The extended method obtains the CSP basis vectors for DAEs from a reduced Jacobian matrix that takes the algebraic constraints into account. Here we use a canonical problem in heterogeneous catalysis, the transient continuous stirred tank reactor (T-CSTR), for illustration. The T-CSTR problem is modelled fundamentally as an ordinary differential equation (ODE) system, but it can be transformed to a DAE system if one approximates typically fast surface processes using algebraic constraints for the surface species. We demonstrate the application of CSP analysis for both ODE and DAE constructions of a T-CSTR problem, illustrating the dynamical response of the system in each case. We also highlight the utility of the analysis in commenting on the quality of any particular DAE approximation built using the quasi-steady state approximation (QSSA), relative to the ODE reference case.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

An uncertainty visualization framework for large-scale cardiovascular flow simulations: A case study on aortic stenosis

We present a generalizable uncertainty quantification (UQ) and visualization framework for lattice Boltzmann method simulations of high Reynolds number vascular flows, demonstrated on a patient-specific stenosed aorta. The framework combines EasyVVUQ for parameter sampling with large-eddy simulation turbulence modeling in HemeLB, and executes ensembles on the Frontier exascale supercomputer. Spatially resolved metrics, including entropy and isosurface-crossing probability, are used to map uncertainty in pressure and wall shear stress fields directly onto vascular geometries. Two sources of model variability are examined: inlet peak velocity and the Smagorinsky constant. Inlet velocity variation produces high uncertainty downstream of the stenosis where turbulence develops, while upstream regions remain stable. Smagorinsky constant variation has little effect on the large-scale pressure field but increases WSS uncertainty in localized high-shear regions. In both cases, the stenotic throat manifests low entropy, indicative of robust identification of elevated WSS. By linking quantitative UQ measures to three-dimensional anatomy, the framework improves interpretability over conventional 1D UQ plots and supports clinically relevant decision-making, with broad applicability to vascular flow problems requiring both accuracy and spatial insight.

Hemodynamics↗