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DOE OSTI2025

Comparative Evaluation of the Ability of the MYNN‐EDMF PBL Scheme in WRF Model to Reproduce Near Surface Wind Speed Over Different Topographical Types

Abstract This study systematically evaluates the performance of the Mellor‐Yamada‐Nakanishi‐Niino‐Eddy‐Diffusion‐Mass‐Flux planetary boundary layer (PBL) scheme within the Weather Research and Forecasting (WRF) model in simulating near‐surface wind speeds across various topographies in New York State (NYS). Simulated wind speeds are compared with in‐situ measurements from 22 surface sites, grouped into six topographic categories: continental plain (CT), lakeside (LS), river valley (RV), Long Island (LI), Block Island (BI), and offshore ocean (OO). A quantitative evaluation based on Relative Euclidean Distance shows that wind speeds at the OO site are the most accurately reproduced, followed by those at LI sites, while the model performs less accurately for the remaining topographic groups. Wind speeds over CT sites tend to be overestimated by approximately 1 m/s, although their diurnal variability (DV) is well captured. In contrast, the model underestimates wind DV at LS, RV, LI, and BI sites, with the largest biases occurring at LI and BI, resulting in underestimated daytime wind speed and/or overestimated nighttime wind speed. The OO winds exhibit minimal diurnal variation, accurately captured by our WRF model. The surface wind diurnal variation is closely linked to PBL development. Among the indicators of PBL development, surface potential temperature biases most strongly correlate with wind speed biases. Our WRF model faces challenges in capturing the distinctions between winds influenced by local circulations and those over continental plains, and the significantly stronger winds at OO compared to BI. Potential causes for these biases are discussed, offering pathways for improving surface wind simulations in future.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

A Frequency Domain Methodology for Quantitative Evaluation of Diffuse Wavefield With Applications to Seismic Imaging

Abstract Ambient Noise Imaging (ANI) of subsurface structures relies on seismic interferometry of diffuse seismic wavefields. However, the lack of effective methods to quantify and identify highly diffuse waves hampers applications of ANI, particularly in evaluating seismic attenuation and monitoring structural changes with high temporal resolution. Conventional ANI approaches require data normalization, which effectively suppresses the non‐diffuse component with large amplitude but also results in significant loss of amplitude and phase information in the continuous seismic records. In this study, we propose a frequency domain method to quantitatively evaluate the degree of diffuseness of seismic wavefields by analyzing their statistical characteristics of modal amplitudes for stationarity and randomness. Tests on synthetic waveform and field nodal records show that the proposed method can effectively distinguish between diffuse and non‐diffuse waveforms for either single‐ or three‐component data. As an application, we identify a 60‐s‐long diffuse coda of a local M 2.2 earthquake recorded by a dense nodal array on the San Jacinto Fault Zone, and successfully extract high‐quality dispersion curve andQ‐value without performing data normalization. These results are consistent with those obtained by conventional methods that assess the correlation between coherency and the Green's function, and by modeling ballistic waves generated by road traffic. Our proposed method can advance the imaging of subsurface velocity and attenuation structures as well as monitoring temporal changes for scientific studies and engineering applications.

Geochemistry & Geophysics↗

DOE OSTI2025

Evaluation of Flow Routing on the Unstructured Voronoi Meshes in Earth System Modeling

Flow routing is a fundamental process of Earth System Models' (ESMs) river component. Traditional flow routing models rely on Cartesian rectangular meshes, which exhibit limitations, particularly when coupled with unstructured mesh-based ocean components. They also lack the support for regionally refined models. While previous studies have highlighted the potential benefits of unstructured meshes for flow routing, their widespread application and comprehensive evaluation within ESMs remain limited. This study extends the river component of the Energy Exascale Earth System Model to unstructured Voronoi meshes. We evaluated the model's performance in simulating river discharge and water depth across three watersheds spanning the Arctic, temperate, and tropical regions. The results show that while providing several benefits, unstructured mesh-based flow routing can achieve comparable performance to structured mesh-based routing, and their difference is often less than 10%. Although the unstructured mesh-based method could address several existing limitations, this research also shows that additional improvements in the numerical method are needed to fully exploit the advantages of unstructured mesh for hydrologic and ESMs.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Evaluating How Climate Adaptation Measures Affect the Interconnected Water‐Energy Resource Systems of the Western United States

Abstract The Western US faces increasing water stress from the impacts of climate change, making it difficult to meet water demands for the region's cities, agriculture, and hydropower generators. Existing literature suggests that climate adaptation measures such as water conservation, cropland retirement, wastewater recycling, and managed aquifer recharge can alleviate some of these challenges. Few analyses, however, compare the relative efficacy and system‐wide effects of these adaptations under different climate projections across the entire Western United States. Here we use a Western US‐wide water systems model to evaluate, by sector and sub‐region, how the widespread implementation of these adaptive measures impacts water demands, water deliveries, and electricity use related to the water system for three different climate projections. We find that wastewater recycling has greater potential to lower unmet indoor water demands than urban indoor water conservation measures. However, when implemented at scale, indoor water conservation reduces electricity use by an average of 683 Terawatt hours while wastewater recycling increases energy use by an average of 721 Terawatt hours, cumulatively from 2020 to 2070. Cropland retirement and aquifer recharge adaptations increase the ability to meet agricultural water demand, increase groundwater storage, and reduce summertime electricity use. While most of these findings are consistent across different climate projections, the benefits of aquifer recharge are sensitive to spatial variation of precipitation. Given the limitations and tradeoffs of each individually, the results suggest that a portfolio of adaptation measures will be needed for a climate‐resilient water and energy future in the Western US. Plain Language Summary The Western US faces increased water stress from the impacts of climate change, making it difficult to meet demands for cities, agriculture, and hydropower facilities. Adaptation measures like water conservation, retiring agricultural lands, recycling wastewater, and storing water underground can address these challenges. However, there is little modeling to understand the impact of these adaptations if they were implemented across the entire Western US while also considering climate change. We use a Western US‐wide water systems model to evaluate how implementing adaptation measures impacts groundwater levels, the ability to meet water demands, and electricity use related to water in three different possible climate futures. We find that recycling wastewater to drinking water standards does a better job of meeting urban water demands than water conservation measures. However, indoor water conservation reduces energy use for water while recycling wastewater increases energy use for water. Retiring agricultural lands and storing water underground both increase the ability to meet agricultural water demands, increase underground water storage, and reduce summertime energy use. No adaptation measures provides benefits across every metric we track. Therefore, multiple adaptation measures will likely be needed to achieve a climate‐resilient future for energy and water in the Western US. Key Points Water‐related climate change adaptations have different benefits and tradeoffs for interconnected water‐energy systems in the Western U.S. Wastewater recycling most increases urban water coverage, but has a significant tradeoff in the form of greater electricity use Cropland retirement and aquifer recharge benefit water and electricity systems most in the summer when those systems are most stressed

Singhal, A↗

DOE OSTI2024

Evaluating the risk of data loss due to particle radiation damage in a DNA data storage system

DNA data storage is a potential alternative to magnetic tape for archival storage purposes, promising substantial gains in information density. Critical to the success of DNA as a storage media is an understanding of the role of environmental factors on the longevity of the stored information. In this paper, we evaluate the effect of exposure to ionizing particle radiation, a cause of data loss in traditional magnetic media, on the longevity of data in DNA data storage pools. We develop a mass action kinetics model to estimate the rate of damage accumulation in DNA strands due to neutron interactions with both nucleotides and residual water molecules, then utilize the model to evaluate the effect several design parameters of a typical DNA data storage scheme have on expected data longevity. Finally, we experimentally validate our model by exposing dried DNA samples to different levels of neutron irradiation and analyzing the resulting error profile. Our results show that particle radiation is not a significant contributor to data loss in DNA data storage pools under typical storage conditions.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A simulation framework for evaluating electronic order workflows in integrated health records

Electronic health record (EHR) systems are critical to modern healthcare delivery, yet the dynamic workflows that govern electronic order processing remain underexplored. Inefficiencies in these digital pathways can cause delays in care, repetitive workloads, and even patient harm. This study presents a discrete-event simulation framework used to reconstruct and evaluate EHR-based order workflows in a large integrated healthcare system. Using real-world data extracted from the Veterans Health Administration’s Corporate Data Warehouse, the authors mapped order events to standardized state transitions and modeled their progression across different facilities of varying complexity levels. After being calibrated with empirical distributions of transition times and validated against observed time-in-system metrics, the simulation demonstrates close alignment with historical performance. Scenario analyses reveal that resource capacity constraints significantly amplify the impact of electronic order surges, which are reflected in the disproportionate growth in backlogs and processing delays. Adjustments in transition probabilities further increased recirculation and extended workflow paths. Network-based analysis identified Reserved, InProgress, and Completed as structurally critical states that function as hubs within the process network but the transitions in-between also act as major bottlenecks. These results showcased the effectiveness of simulation-based approaches in monitoring EHR order processing performance and evaluating consequences of workflow changes on healthcare network resources planning. The proposed simulation framework provides a scalable data-driven tool to support operational decision-making and improve the efficiency of electronic order management in complex healthcare environments.

Engineering↗

DOE OSTI2021

Experimental evaluation of the stabilization of the COT orbitals by 4f orbitals in COT 2 Ce using a Hubbard model

Significant orbital mixing is rare in lanthanide complexes because of the limited radial extent of the 4f orbitals, which results in a generally small stabilization due to 4f orbital interactions. Nevertheless, even a small amount of additional stabilization could enhance lanthanide separations. One lanthanide complex in which orbital mixing has been extensively studied both experimentally and computationally is cerocene, COT 2 Ce, where COT is cyclooctatetraene. This compound has a singlet ground state with a low-lying, triplet excited state. Previous fluorescence studies on trimethylsilyl-substituted cerocenes indicate the triplet state is 0.4 eV higher in energy than the singlet state. In addition, computational studies predict that the triplet is 0.3 to 1 eV higher in energy than the singlet. The synthesis of highly pure COT 2 Ce by Walter and Andersen allowed its physical properties to be accurately measured. Using these measurements, we evaluate the stabilization of the 4f orbitals using two, independent approaches. A Hubbard model is used to evaluate the stabilization of the ground state due to orbital mixing. This stabilization, which is also the singlet–triplet gap, is –0.29 eV using this model. Furthermore, this gap was also from the temperature independent paramagnetism of COT 2 Ce, which yielded a value of –0.32 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

dCache – Efficient Message Encoding For Inter-Service Communication in dCache: Evaluation of Existing Serialization Protocols as a Replacement for Java Object Serialization

As a well established, large-scale distributed storage system, dCache is used to manage and serve huge amounts of data collected by high energy physics, astrophysics and photon science experiments. Based on a microservices-like architecture, dCache is built as a modular distributed system, where each component provides a different core functionality. These services communicate by passing serialized messages to each other, a core behavior whose performance properties can consequently affect the entire system.This paper compares and evaluates different data serialization protocols in computer science with the objective of replacing and improving upon Java Object Serialization (JOS), which has increasingly presented itself as no longer being sufficiently performant for encoding messages. The criteria for choosing a new framework are collected, analyzed and formalized. The primary motivation for replacing Java serialization for encoding dCache messages is increasing the general speed of message-passing and thereby reducing the round-trip time for user requests. Emphasis is also placed on schema evolution capabilities and framework usability. Approaches for generalizing (de)serialization speed and size measurements based on data structure complexity are introduced, criteria for measuring documentation, learning curve, maintainability and introduction effort are defined. Finally, several selected serialization protocols are evaluated and compared accordingly, concluding with a recommendation for a suitable JOS replacement.

Morschel, Lea↗

DOE OSTI2020

High electron mobility of Al x Ga1− x N evaluated by unfolding the DFT band structure

We calculate the alloy-disorder-limited electron mobility of AlxGa1−xN from first principles. AlxGa1−xN is a technologically important ultra-wide-bandgap alloy with promise in light emitting diodes and high-power transistors. Alloying introduces statistical disorder, which causes electrons to scatter between different crystal-momentum states, leading to a reduction in mobility for intermediate alloy compositions. The corresponding lifetime, which appears as an energy broadening in the band structure, can be evaluated by unfolding the band structure from the supercell basis to the primitive-cell basis. We fit the first-principles band broadening with a model scattering potential and evaluate the low-field electron mobility using the semiclassical Boltzmann transport equation in the relaxation-time approximation. Our calculated mobility is in agreement with experimental values. We also find the lowest alloy-scattering electron mobility (total electron mobility) across the entire composition range to be 186 cm2/V s (136 cm2/V s), which is comparable to the highest electron mobility predicted in the competitor system, β-(AlxGa1−x)2O3. Our results elucidate the intrinsic limits imposed by alloy disorder on electron transport in AlxGa1−xN.

Pant, Nick (ORCID:0000000254506045)↗

DOE OSTI2021

Systematic evaluation of magnetic sensitivities of anisotropic magnetoresistive sensors at liquid helium temperature for superconducting cavities

Trapped magnetic flux in bulk superconductors reduces the quality factor Q in superconducting radio-frequency (SRF) cavities. However, the mechanisms underlying flux trapping and radio-frequency loss are not well understood. Detailed observation of the magnetic distributions is important for understanding such phenomena. Magnetic field mapping is useful for observing the magnetic field distribution around SRF cavities. Measuring the change in the magnetic field around the cavity elucidates the flux trapping behavior. Anisotropic magnetoresistive (AMR) sensors are inexpensive and small devices that can detect magnetic flux density. The magnetic sensitivities of AMR sensors need to be evaluated at liquid helium temperature for the magnetic field mapping of SRF cavities. In this study, a test stand was constructed to calibrate the magnetic sensitivities of AMR sensors in liquid helium, and 110 AMR sensors were tested using this stand. The magnetic sensitivities were evaluated systematically. A solenoid coil was used to control the uniform external magnetic field and to measure the magnetic sensitivity at low temperatures. All AMR sensors exhibited suitable sensitivities to the magnetic field around the SRF cavity. The variation in these sensitivities in all AMR sensors was ~1%. Further, the AMR sensors were found to have sufficient sensitivity for mapping the magnetic field around the exterior surface of the SRF cavity.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Evaluation of the potential for wake steering for U.S. land-based wind power plants

The wind power plant-wide control strategy known as wake steering involves the misalignment of upstream turbines with the wind direction to deflect wakes away from downstream turbines, increasing net wind plant power production. In this paper, we evaluate the potential of wake steering for U.S. land-based wind power plants. First, we outline a method for simulating and optimizing wake steering control for existing wind plants by combining the flow redirection and induction in steady state wake steering engineering model with the U.S. Wind Turbine Database and Wind Integration National Dataset Toolkit wind resource dataset. Next, to better understand the potential benefits of wake steering beyond those for existing wind plants, we evaluate the relative impacts of turbine specific power, turbine spacing, and mean wind speed on energy gain and levelized cost of energy (LCOE) using a model land-based wind power plant. For a subset of 60 existing wind plants, assuming a constant turbulence intensity of 8%, wake steering was found to yield an average annual energy production (AEP) gain of 0.80%, equivalent to recovering 13.85% of baseline wake losses. Further, we present a linear approximation between baseline wake losses and AEP gains that can be used to estimate wake steering gains for other wind power plants. Highlighting additional benefits of wake steering, for the model wind power plant we found that energy gains from wake steering enabled an approximate 30% reduction in turbine spacing while keeping LCOE constant.

17 WIND ENERGY↗

DOE OSTI2022

Efficient evaluation of the Breit operator in the Pauli spinor basis

The frequency-independent Coulomb–Breit operator gives rise to the most accurate treatment of two-electron interaction in the non-quantum-electrodynamics regime. The Breit interaction in the Coulomb gauge consists of magnetic and gauge contributions. The high computational cost of the gauge term limits the application of the Breit interaction in relativistic molecular calculations. In this work, we apply the Pauli component integral–density matrix contraction scheme for gauge interaction with a maximum spin- and component separation scheme. We also present two different computational algorithms for evaluating gauge integrals. One is the generalized Obara–Saika algorithm, where the Laplace transformation is used to transform the gauge operator into Gaussian functions and the Obara–Saika recursion is used for reducing the angular momentum. The other algorithm is the second derivative of Coulomb interaction evaluated with Rys-quadrature. This work improves the efficiency of performing Dirac–Hartree–Fock with the variational treatment of Breit interaction for molecular systems. In conclusion, we use this formalism to examine relativistic trends in the Periodic Table and analyze the relativistic two-electron interaction contributions in heavy-element complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Evaluation of the relative importance of preheat from hohlraum x rays and a radiative shock on a low-density foam

Indirectly driven shock-tube experiments were performed on the Omega Laser Facility to evaluate the relative importance of hohlraum x ray and radiative shock preheat sources on a low-density foam. X rays emitted from the hohlraum and a subsequent shock wave are channeled into a low-density foam sample, which contains a plastic preheat-witness disk placed downstream of the foam. Simultaneous radiographic measurements of the shock speed in the foam and the expansion rate of the witness disk due to preheat allow for the observation of effects from the hohlraum's low-energy and high-energy x-ray spectrum. Here we showed, from simulations, that low-energy x rays from the hohlraum are preferentially absorbed near the ablator surface (where the hohlraum and the shock tube meet), while higher-energy x rays largely pass through the ablator and foam and are volumetrically absorbed by the witness disk. Reproducing the experimentally measured shock speed and expansion of the witness disk simultaneously, we extracted the temperature evolution of preheated foam from the simulation and evaluated the relative importance of preheat sources on a low-density foam from hohlraum x-ray radiation and radiative shock. We found that radiation from the shock front was more effective at preheating the low-density foam than the high-energy x rays from the hohlraum. This shock-tube preheat experiment is important for understanding the results of the MARBLE experiments at the National Ignition Facility because initial conditions of foam-filled MARBLE capsules are sensitive to preheat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Evaluation of Sandia NCS Benchmark Suite Updates

The Sandia Nuclear Criticality Safety (NCS) program’s benchmark suite was recently updated. This suite is used to ensure that NCS calculations using computer-based neutron transportation codes have an established baseline comparison of calculated versus known experimental results. The Evaluated Nuclear Data File (ENDF) version used for the MCNP models in the suite was changed from ENDF/B-VII.1 to ENDF/B-VIII.0. Additionally, relevant thermal scattering law data libraries (TSLs) were updated. The sensitivity of the calculational bias of each benchmark model to these changes is discussed. Implementation of the ENDF/B-VIII.0 library and updated TSLs results in improvements to bias distribution in the intermediate enriched uranium, plutonium, and mixed uranium–plutonium (IEU, PU, and MIX) fissionable material benchmark categories, but a small bias increase in low- and high-enriched uranium categories (LEU and HEU, respectively). The results also highlight the sensitivity of the benchmarks, with average lethargy of neutrons causing fission energies (EALF) in the intermediate energy range to ENDF/B library changes. The most numerous bias changes were observed in the thermal energy region when transitioning from ENDF/B-VII.1 to ENDF/B-VIII.0. In conclusion, most of the unique bias changes observed in MCNP 6.3.0 between the two nuclear data libraries were in the LEU-COMP-THERM evaluation subset.

ICSBEP↗

DOE OSTI2026

Evaluation of a catalytically aided thermal regeneration method for quartz filter-based black carbon sensing

Black carbon (BC)–a strong indicator of diesel particulate matter and other sources of incomplete carbonaceous fuel combustion–is an important air pollutant that affects public health, yet low-cost sensors capable of long-term, autonomous BC monitoring remain underdeveloped. We report on the development and evaluation of a novel BC prototype sensor that integrates soot collection on a quartz filter, in-situ optical transmission measurement, and thermal filter regeneration. To enable regeneration at lower temperatures, we evaluated the catalytic effects of various alkali metal salts pre-applied to the filter. Among these, cesium carbonate (Cs 2 CO 3 ) exhibited the strongest catalytic activity, lowering the temperature required for complete BC removal by up to 190 °C and reducing energy consumption by more than 75% compared to that required for untreated filters. The catalytic effect persisted through 10 BC collection–regeneration cycles. These findings demonstrate the potential of catalytically aided thermal regeneration in BC sensors and suggest a pathway toward energy-efficient and reduced maintenance air quality monitoring suitable for distributed BC monitoring networks.

Tang, Xiaochen [Lawrence Berkeley National Laborat↗

DOE OSTI2025

Thermal modulation of nonlinear ultrasonic waves for nondestructive evaluation of elastic materials

Temperature variation is often considered an undesirable factor in ultrasonic testing, as wave velocity is highly sensitive to thermal fluctuations. However, completely eliminating the temperature effect is difficult, particularly in tests requiring precise velocity measurements. Recently, a method called Thermal Modulation of Nonlinear Ultrasonics (TMNL) has been developed. Instead of eliminating the thermal effect, the TMNL method leverages the temperature variation as a driving force to stimulate the nonlinear response of the medium and modulate the ultrasonic waves propagating in it. These modulated waves can then be used to evaluate the nonlinear behaviours of the test medium. This paper presents a focused review of the TMNL technique, including its theoretical foundations, particularly the conceptual challenges in integrating thermal effects into classical acoustoelastic theory, and recent applications in non-destructive evaluation (NDE). Three case studies are presented to demonstrate TMNL’s application in detecting microcracking in concrete, assessing ageing in polymer materials, and enabling temperature compensation in acoustoelastic tests. In conclusion, the review also summarises related studies, including photothermal crack modulation, and discusses current limitations and future directions of TMNL in elastic media.

NDE↗

DOE OSTI2022

Evaluation of nonlinear control performance of air handling units under variable operation conditions using root distribution approach

The control systems at Air handling units (AHUs) have nonlinear nature, resulting potentially in sluggish, aggressive, or oscillatory responses under variable operation conditions. This paper is to develop an approach for evaluating the nonlinear control performance of AHUs under variable operation conditions and for identifying the impact of varying multiple operation parameters which guides controller design. To do so, an operation parameter-based root distribution technique, intended to sketch the paths traced by closed-loop poles as multiple operation parameters are varied, is first introduced. The technique—which may be viewed as an extension of conventional, single-variable root locus—is then applied to a fan speed control system that includes a motor with a variable frequency drive and a supply fan with an air duct under variable fan speed and duct static pressure. Using the technique, the system’s stability region is graphically identified. The system is also found to be aggressive and gradually lose its stability as the fan speed decreases and the duct static pressure increases, which is validated by the field tests. Here, the root distribution approach is an effective tool to evaluate the performance of any nonlinear control systems at AHUs with multiple variable operation parameters without requiring time-domain simulations.

42 ENGINEERING↗

DOE OSTI2024

Development and performance evaluation of active insulation systems using solid-state thermal switches

Traditional building envelopes have passive insulation systems that cannot respond to dynamic changes in the environment. An Active Insulation System (AIS) consists of Active Insulation Materials (AIMs) that dynamically vary the thermal conductivity of the insulation system. Several researchers have evaluated the impact of AIS on building thermal and energy performance by using simulation tools. Up to 70% savings in annual heating and cooling energy and significant reductions in peak demand have been predicted for some climates with wall systems employing AIS. However, materials and assembly development still need a cost-effective product that achieves the required performance. Here, in this study, we present the process of developing an AIS that we will install in a test hut for its performance evaluation. Minimum performance criteria of the AIS system are developed based on R-low/R-high ratio, required time and efficiency to switch states, and cost estimates. The following steps during this study are creating the concept to meet the requirements, predicting the performance via simulations, developing the experimental setup for bench-scale testing, and finally, constructing a full-scale wall assembly and monitoring the performance when exposed to environmental chamber tests. The selected approach uses off-the-shelf products to create an AIS that can switch R-value between 0.98 ft 2 ·°F·h/BTU (0.173 m 2 ·K/W) and 5.81 ft 2 ·°F·h/BTU (1.02 m 2 ·K/W) and have a switching time of less than one minute between R-high and R-low.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗