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At least 73 records · Page 4

EXPERIMENTAL VALIDATION OF THEORETICAL BURST STRENGTH SOLUTION FOR DEFECT-FREE THICK-WALLED PIPES

The burst pressure of line pipes is an important strength property required in pipeline design and integrity management. Historically, the Barlow formula in conjunction with the ultimate tensile stress (UTS) of pipeline steels were utilized to estimate the burst strength of line pipes. However, the Barlow formula did not consider the plastic flow effect for ductile steels and is applicable only to thin-walled pipes. In 2006, the present author proposed a new multiaxial plastic yield theory and obtained a theoretical Zhu-Leis solution of burst strength for defect-free thin-walled pipes in term of UTS and strain hardening exponent n of pipeline steels. The Zhu-Leis solution has been validated by various burst test data for thin-walled pipelines for a wide range of steel grades from Grade B to X120. Recently, the present author extended the Zhu-Leis theory of plasticity to thick-walled pipes and obtained the Zhu-Leis solution of burst pressure for thick-walled pipes. The proposed burst pressure solution is applicable to both thin and thick-walled pipes. To experimentally validate the proposed theoretical burst pressure solution, this paper obtains a set of burst test data for three thick-walled pipes in Grade B carbon steel with a nominal diameter of 2.375 inches and three nominal wall thicknesses, resulting in D/t = 15.4, 10.9, 6.9. Through comparisons, these burst data validate the theoretical burst pressure solution for thick-walled pipes. Moreover, two additional burst test datasets collected from literature for thin and thick-walled pipes further validate the proposed burst pressure solution for both thin and thick-walled pipes.

Zhu, Xiankui↗

Interface and Thermophysical Properties of R 32 Refrigerant

Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH 2 F 2 ) has emerged as a promising candidate owing to its favorable thermophysical properties, including high heat transfer efficiency and low viscosity. While bulk properties such as density, viscosity, and thermal conductivity have been widely studied, interfacial properties, including surface tension and interfacial thickness, remain comparatively underexplored, despite their importance in phase-transition dynamics. Here, we perform molecular dynamics (MD) simulations from 180 to 300 K using an optimized transferable force field for fluoropropenes with enhanced electrostatics to assess both bulk and interfacial behavior of R32. Simulations reproduced density within ±2.1%, viscosity within 3.05%, and thermal conductivity within 7.41% of NIST reference data. Heat capacities (C p and C v ) were predicted within 5%. For interfacial properties, surface tension trends were reproduced within 13.58% deviation, and the vapor–liquid coexistence curve closely matched reference data, yielding a critical temperature of 345.7 K (1.6% deviation) and a critical density of 0.397 g/cm 3 (6.4% deviation). Importantly, the vapor–liquid interface exhibited pronounced temperature-dependent broadening across the 180–290 K range. This behavior correlates with increasing molecular kinetic energy, reduction in intermolecular cohesive interactions, and a progressive loss of preferential dipole alignment, which collectively enhance thermal fluctuation amplitudes at elevated temperatures. These validated results provide predictive molecular-level insights, particularly for interfacial properties that remain less characterized. By reducing property prediction errors in key parameters such as critical temperature, this work provides reliable inputs for heat-exchanger and system models. Such correlations can support optimized component sizing, improved performance, and reduced refrigerant charge. Beyond R32, the methodology offers a transferable framework for blended and next-generation low-GWP refrigerants, contributing to sustainable thermal management aligned with the 2027 EU F-Gas regulation and 2030 Kigali Amendment.

Fluids↗

LANL Organization and Facility Management [Slides]

The Laboratory is a DOE Federally Funded Research and Development Center (FFRDC) administered by the NNSA. Therefore, Laboratory facilities and equipment are subject to NNSA oversight. Work at the Laboratory is also subject to many federal laws that apply to the Laboratory’s federal land and property.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

A Complex Brownfields Case Study—The Former Bannister Federal Complex, Kansas City, Missouri

Abstract In November 2017, 225 acres (91 ha) of the former Bannister Federal Complex (BFC) in Kansas City, Missouri were transferred from the Federal Government to Bannister Transformation & Development, LLC (BTD), for demolition; environmental corrective measures; and preparation of the site for redevelopment. This presented a once‐in‐a‐lifetime opportunity to reconfigure groundwater remedies and address long‐standing soil contamination issues. The property included more than 40 previously‐identified Solid Waste Management Units, 3.9 million square feet (362,000 m 2 ) of buildings, subsurface utilities dating back to the 1940s, and an active groundwater containment system. Demolition of buildings and installation of an interim groundwater containment system began almost immediately after property transfer. In 2018, BTD substantially modified its project schedule to incorporate the construction of the first new buildings while demolition and remedial activities were ongoing. By October 2020, construction of the first new warehouse commenced while excavation and capping of contaminated soils, installation of a groundwater containment treatment systems, and abandonment of legacy utilities were still underway. Completion of this work, within the originally planned timeframe, was made possible by factors including up‐front multi‐year funding, early and ongoing engagement of regulators, an extended 3‐year due diligence program and planning stage, and establishment of well‐defined environmental targets. Both the soil and groundwater remedies were also designed with the flexibility needed to accommodate unknown conditions, changing schedules, and revisions to the regrading and redevelopment plans. This case study highlights key technical and management factors that led to the successful completion of this complex brownfields remediation project.

Water Resources↗

Interpreting the spatial distribution of soil properties with a physically-based distributed hydrological model

Digital soil maps are commonly data-driven as the development of physically-based models for soil mapping is difficult due to the complexity of soils. However, physically-based hydrologic models have been successful in simulating water dynamics. Since water movement is a major driver of pedogenesis, the physical rules that govern water movement might help explain and predict the spatial variation of soil properties. Here, we demonstrate the novel use of a physically-based, distributed hydrologic model to inform the spatial distribution of soil properties. The Distributed Hydrology Soil Vegetation Model (DHSVM) was utilized to simulate soil moisture content (SM) and water table depth (WTD) in two hillslope catchments under pasture and forest management wherein hydrologic model outputs were then compared with soil properties measured in situ. SM sensors and wells were installed in both catchments to validate simulations of soil water movement via Nash-Sutcliffe Efficiency (E). In-situ observations were made at 87 sites within both catchments to study the connection between simulated water movement (SM and WTD) and observed soil properties, namely the depth and thickness of the argillic (Bt), fragic (Btx), and C horizons, and the depth of redoximorphic features. The simulated time series of SM and WTD were also clustered per season using Dynamic Time Warping (DTW), which identified similarity among time series at varying timescales. Model validation suggested that simulations of surficial SM (0–20 cm) were reasonable (E = 0.45), however, simulated subsurface SM (45–60 cm) and WTD were not sufficiently accurate. The thickness of Btx horizons were spatially grouped into different populations by SM clusters from every season except spring. For the other properties, only SM dynamics of specific seasons grouped into significantly different populations, suggesting that the explanatory power of simulated water movement varies seasonally and was greater during winter. Here, we show clusters of simulated SM separated soil properties into statistically different populations, showing that hydrologic models could inform areas that followed different water dynamics related to pedogenic trajectories and related biogeochemical processes not necessarily simulated by the model. As such, physically-based modeling of water dynamics can, therefore, inform and advance digital soil mapping by linking water movement patterns stemming from hydrologic model outputs to spatial patterns of soil properties and pedogenesis.

54 ENVIRONMENTAL SCIENCES↗

Demonstration of Multi-Gamma Based Sensor Technology for As-Fired Coal Property Measurement

This project demonstrated the application of the use of an advanced multigamma attenuation (MGA) sensor to accurately and precisely measure coal properties at the point of injection into burners. Accurate and precise coal property information at the burner provides the opportunity to adjust burner parameters to better follow changing load condition, optimize flame stability, and decrease nitrogen oxide formation at each burner. In addition, coal property information at the burner will assist in managing slag flow behavior, fireside ash related deposition, corrosion, and erosion issues. The advantage of having multiple gamma emitters is that the atomic/elemental interaction with the gamma energy takes place at several energies and the resulting attenuation is dependent upon the atomic number of the atom/element encountered in the coal.

01 COAL, LIGNITE, AND PEAT↗

4D structural changes and pore network model of biomass during pyrolysis

Biochar is an engineered carbon-rich substance used for soil improvement, environmental management, and other diverse applications. To date, the understanding of how biomass affects biochar microstructure has been limited due to the complexity of analysis involved in tracing the changes in the physical structure of biomass as it undergoes thermochemical conversion. In this study, we used synchrotron x-ray micro-tomography to visualize changes in the internal structure of biochar from diverse feedstock (miscanthus straw pellets, wheat straw pellets, oilseed rape straw pellets, and rice husk) during pyrolysis by collecting a sequence of 3D scans at 50 °C intervals during progressive heating from 50 °C to 800 °C. The results show a strong dependence of biochar porosity on feedstock as well as pyrolysis temperature, with observed porosity in the range of 7.41–60.56%. Our results show that the porosity, total surface area, pore volume, and equivalent diameter of the largest pore increases with increasing pyrolysis temperature up to about 550 °C. The most dramatic development of pore structure occurred in the temperature range of 350–450 °C. This understanding is pivotal for optimizing biochar’s properties for specific applications in soil improvement, environmental management, and beyond. By elucidating the nuanced variations in biochar’s physical characteristics across different production temperatures and feedstocks, this research advances the practical application of biochar, offering significant benefits in agricultural, environmental, and engineering contexts.

54 ENVIRONMENTAL SCIENCES↗

cclib 2.0: An updated architecture for interoperable computational chemistry

Interoperability in computational chemistry is elusive, impeded by the independent development of software packages and idiosyncratic nature of their output files. The cclib library was introduced in 2006 as an attempt to improve this situation by providing a consistent interface to the results of various quantum chemistry programs. The shared API across programs enabled by cclib has allowed users to focus on results as opposed to output and to combine data from multiple programs or develop generic downstream tools. Initial development, however, did not anticipate the rapid progress of computational capabilities, novel methods, and new programs; nor did it foresee the growing need for customizability. Here, we recount this history and present cclib 2, focused on extensibility and modularity. We also introduce recent design pivots—the formalization of cclib’s intermediate data representation as a tree-based structure, a new combinator-based parser organization, and parsed chemical properties as extensible objects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quality Ranking of Unary Chloride Salt Property Data Included in MSTDB-TP

Molten salt reactor developers rely on thermal property data to design, license and operate the reactors. The Molten Salt Thermal Database-Thermophysical Properties (MSTDB-TP) was established under the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program and is managed by Oak Ridge National Laboratory to serve as a single source of thermophysical property values measured for a wide variety of molten salt systems for use by researchers, molten salt reactor developers, and regulators. These properties include density, viscosity and thermal diffusivity and conductivity. Published measurements of molten salt properties are lacking for many salts of interest and the data that are available are often inconsistent. This creates a challenge for MSR developers when determining which property values to use when designing their reactors. It is the purpose of this work to apply a consistent ranking system to all data entries that indicates the quality of property values listed in the database. These rankings will be the technical basis for down-selections by the database developers and alert users about the quality of the available property values. MSTDB-TP collects all available property data and indicates preferred data sets or correlations. However, all available data sets are included in the database. Quality assessments and rankings are being applied to data in MSTDB-TP to provide an indication of the quality of each data set independent of consistency with other data. Previous reports detailed the ranking system that was followed and assessments of unary fluoride data sets. Documentation of the quality of data in MSTDB-TP was continued by reviewing and assessing all available sources of density, viscosity and thermal diffusivity or conductivity values for unary chloride salts in MSTDB-TP V3.0 using the same criteria.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Search for 3D topological superconductors using laser-based spectroscopy (Final Technical Report)

The three-dimensional topological superconductor (3D TSC) is a novel quantum phase of matter that is predicted to exhibit exotic thermal and electrical properties, which may serve applications ranging from precision thermal management and sensing technologies to fault-tolerant quantum information processing. Over the past decade, there has been an intensive effort to realize 1D and 2D TSCs by artificially engineering them from combinations of already existing materials. For example, coupling conventional superconductors to spin-orbit coupled 1D nanowires or to 2D topological insulator surfaces by the proximity effect provides a route to realizing 1D and 2D TSCs respectively. However no artificial engineering strategy is available for a 3D TSC. Therefore, current searches are limited to intrinsically superconducting compounds whose topological properties are difficult to predict. The overarching goal of this project was to realize and to identify 3D TSCs in bulk single crystals using novel laser-based spectroscopic techniques. One major thrust was to develop ultralow temperature and ultra-high-resolution angle-resolved photoemission spectroscopy (ARPES) to directly measure the dispersion of Majorana excitations that are predicted to exist on the surfaces of 3D TSCs. Another major thrust was to develop a rational route to realize 3D TSCs by identifying their precursor phases. It is theoretically proposed that the critical fluctuations of certain ordered electronic phases can mediate Cooper pairing in odd-parity channels and lead to topological superconductivity. Therefore, 3D TSCs may potentially emerge upon suppressing these inversion symmetry broken precursor phases to a critical point with external perturbations such as pressure, strain or even light. To test this hypothesis, we studied candidate materials using a suite of symmetry-sensitive optical probes including rotational anisotropy optical second harmonic generation (RA-SHG) and time-resolved coherent phonon spectroscopy, all operable under high-pressure and low temperature environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

3D hydrogeophysical characterization of managed aquifer recharge basins

Aquifers are increasingly stressed. Managed aquifer recharge provides a potential solution to mitigate this stress and provide sustainable groundwater resources. Subsurface properties are known to have a strong control on the infiltration rates that can be achieved. However, these properties are often highly heterogeneous and difficult to assess with conventional probing techniques. Here, we show the application of 3D geophysical imaging to assess the recharge potential and its variation across several basins used for managed aquifer recharge. We link in-situ measurements of saturated hydraulic conductivity with the electrical resistivity of the subsurface to establish petrophysical relationships and use those relationships to estimate the distribution of hydraulic conductivity throughout the five recharge basins. Our results show a considerable variability in the hydraulic properties, i.e., soil texture and saturated hydraulic conductivity, that have a direct impact on potential infiltration rates. We use the 3D hydraulic property distributions to model groundwater recharge and provide estimates for infiltration rates and volumes, and use this approach to assess the impact of management activities on groundwater recharge performance. Having such data not only enables us to predict infiltration rates, but also provides means for optimizing such water infrastructure.

54 ENVIRONMENTAL SCIENCES↗

Report series: finding of effect and mitigation documentation for the mercury solar photovoltaic array and battery energy storage system, area 23, nevada national security site, nye county, nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) proposes to install solar photovoltaic (PV) power generation arrays and an associated battery energy storage system (BESS) for the town of Mercury at the Nevada National Security Site (NNSS) in Nye County, Nevada (Figure 1). The purposes of the development of this facility are to support long-term efforts to modernize Mercury and to provide energy-resilient infrastructure and address climate adaptation needs. Because it is within the boundary of the Mercury Historic District (MHD), it is subject to the terms of the Programmatic Agreement Between the National Nuclear Security Administration Nevada Field Office and the Nevada State Historic Preservation Officer Regarding Modernization and Operational Maintenance of the Nevada National Security Site, at Mercury in Nye County, Nevada (hereafter referred to as the Mercury PA). An identification and evaluation report prepared for this undertaking determined that a contributing element to the MHD, the Mercury airstrip (26NY15777), is within the APE (Haynes 2024). The Mercury airstrip was developed following the closure of Camp Desert Rock in 1957 and used until late 1963 or 1964 when the Camp Desert Rock Airport was renovated, and the Mercury Bypass road constructed. The town of Mercury and the immediate surrounding area have been determined eligible for listing in the National Register of Historic Places (NRHP) as the MHD (SHPO Resource No. D230) under Criteria A and C for its importance in supporting nuclear testing and scientific research from 1951 through 1992 (Reed 2019). Originally recorded in 2016, 26NY15777 was determined individually not eligible for listing in the NRHP because it lacked sufficient integrity to convey its significance (Palmer 2016). It was subsequently determined in 2018 to be a contributing element of the MHD in an architectural survey of the district (Palmer 2018) and identified in Appendix C of the Mercury PA as a Category I contributing element. However, as per Stipulation IV.B.2, because the airstrip had already been formally evaluated and determined not to be individually eligible for the NRHP in consultation with the SHPO, this categorization was an error. NNSA/NFO reported this to the SHPO in Haynes 2024 and the SHPO concurred on June 11, 2024 (Reed). Accordingly, the airstrip is a Category II Property for the purposes of complying with the Mercury PA. The Mercury airstrip is a historic property for the purposes of compliance with Section 106 of the National Historic Preservation Act (NHPA) and subject to the stipulations of the Mercury PA.

25 ENERGY STORAGE↗

Dynamic risk assessment for geologic CO 2 sequestration

At a geologic CO 2 sequestration (GCS) site, geologic uncertainty usually leads to large uncertainty in the predictions of properties that influence metrics for leakage risk assessment, such as CO 2 saturations and pressures in potentially leaky wellbores, CO 2 /brine leakage rates, and leakage consequences such as changes in drinking water quality in groundwater aquifers. The large uncertainty in these risk-related system properties and risk metrics can lead to over-conservative risk management decisions to ensure safe operations of GCS sites. The objective of this work is to develop a novel approach based on dynamic risk assessment to effectively reduce the uncertainty in the predicted risk-related system properties and risk metrics. We demonstrate our framework for dynamic risk assessment on two case studies: a 3D synthetic example and a synthetic field example based on the Rock Springs Uplift (RSU) storage site in Wyoming, USA. Results show that the U.S. National Risk Assessment Partnership’s Open Source Integrated Assessment Model (NRAP-Open-IAM) coupled with a conformance evaluation can be used to effectively quantify and reduce the uncertainty in the predictions of risk-related system properties and risk metrics in GCS.

58 GEOSCIENCES↗

Impact of Grazing Duration and Environment on Soil Carbon in Reclaimed Uranium Mines Tailings: A Region Specific Study

ABSTRACT Grassland ecosystems, which cover over one‐third of the Earth's land area, store 10%–30% of global soil carbon (C). However, these ecosystems face substantial impacts from human activities, including mining. This study investigates the spatial distribution of soil C and related environmental factors in reclaimed grasslands on former uranium mine sites in Wyoming. We hypothesized that grazing duration and environmental factors would influence soil C levels. Interactions between topography, vegetation diversity, soil properties, and soil C in the context of grazing management in both natural and reclaimed grasslands from a wide range of periods from 1 year to 100 years were analyzed using geographically weighted regression models. Data collected from 2022 to 2023 showed that total carbon was consistently higher in natural grasslands (1.2%–4.9%) than in reclaimed grasslands (0.8%–1.3%). Additionally, soil C was significantly higher in natural grasslands grazed for 1 year compared to those grazed for 100 years. In contrast, reclaimed grasslands had lower soil C in areas grazed for 1 year compared to those grazed for 7 or 14 years. The absolute values of coefficients from environmental covariates indicated that areas grazed for a shorter duration (~1 year) were more influenced by biotic and abiotic factors than areas grazed for longer periods (> 7 years). Our findings show moderate grazing increases the resiliency of grassland ecosystems when grazed 7 years or longer and acknowledge the roles of topographic, soil, and vegetative factors in enhancing soil C concentration and developing sustainable land management practices in rangeland conditions.

Shilpakar, Chandan [Department of Plant Sciences U↗

Estimation of hydraulic conductivity in a watershed using sparse multi-source data via Gaussian process regression and Bayesian experimental design

Enhanced water management systems depend on accurate estimation of subsurface hydraulic properties. However, geologic formations can vary significantly, so information from a single source (e.g., widely spaced boreholes) is insufficient in characterizing subsurface aquifer properties. Therefore, multiple sources of information are needed to complement the hydrogeology understanding of a region. Here, this study presents a numerical framework in which information from different measurement sources is combined to characterize the 3D random field in a multi-fidelity prediction model. Coupled with the model, a Bayesian experimental design was used to determine the best future sampling locations. The Upper Sangamon watershed in east-central Illinois was selected as the case study site, where the multi-fidelity Gaussian process model was used to estimate the hydraulic conductivity in the region of interest. Multi-source observation data were obtained from electrical resistivity and borehole pumping tests. The accuracy of the model prediction is dependent on the locations and the distribution of both high- and low-fidelity data. Furthermore, the multi-fidelity model was compared with the single-fidelity model. The uncertainties and confidence in the measurements and parameter estimates were quantified and used to design future cycles of data collection to further improve the confidence intervals.

54 ENVIRONMENTAL SCIENCES↗

Analytical-based simulation approach for an anion exchange membrane fuel cell

An analytical and empirical-based 1-D, non-isothermal, steady-state model for anion exchange membrane fuel cell capable of capturing two-phase phenomena is presented in this study. Coupled multi-physics including mass and charge transport, electrochemical reactions, heat transfer, and two-phase water transport are considered in the model and the simulated results are compared to experimental data. To better represent actual material properties and localized conditions, the model applies multilayer discretization in the gas diffusion electrode to enhance prediction accuracy. The model successfully predicts the baseline performance at 70 °C, 131 kPa abs., 92% RH with pure H 2 /O 2 gas as well as the limiting current at 10% H 2 . The robust simulation approach allows for simplistic and accurate estimation of cell performance without the complications of applying two-phase parameters and expensive computational need for numerical models. In addition, the results from the sensitivity studies of material properties and operating conditions provide valuable insights on water management strategies and optimal component design for advancing anion exchange membrane fuel cell technology.

1-D model↗

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tides on South Mill Apartment Complex

This dataset includes data from the building management system for a large multi-family rental property located in Tempe, Arizona. The name of this rental property is “Tides on South Mill” and it is owned by the FCP which is a real-estate investment company based in Maryland with a large portfolio of rental properties that spreads out throughout the U.S. FCP’s portfolio includes large multi-family housing and commercial buildings. The property is split into four quadrants. Each quadrant has roughly 130 apartments. The total floor area of each Quadrant is about 94,000 sq. ft. The campus of Solara spreads over 27 acres. The mechanical system consists of a 2-pipe system that runs chilled or hot water thru individual Fan Coil Units depending upon the season. The gas-fired boiler will supply hot water when seasonal change-over will take place. This dataset spans October to December 2021 and includes time-series measurements corresponding electricity meter data (Cooling Tower Fan, Pumps, Chillers,) with 1-minute resolution, chilled water temperature data and outside air data with 5-minute resolution etc. as CSV files. In addition to the measurements, a metadata .json file, and a .pdf dataset description file are also included.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗