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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

OC7 phase I: CFD investigation of viscous forces on rectangular members of semisubmersibles

In Phase I of the Offshore Code Comparison Collaboration 7 (OC7) project, we aim to address key questions related to the modeling of viscous hydrodynamic loads on floating platforms. Here, this paper presents results from a collaborative effort within Phase I of the OC7 project. We investigate viscous forces acting on the rectangular members of semisubmersible platforms using high-fidelity computational fluid dynamics (CFD) simulations. The parametric CFD analyses include two-and-a-half-dimensional (2.5D) simulations of pontoon sections of two different semisubmersible platform designs (the VolturnUS-S and the INO WINDMOOR) and full three-dimensional (3D) structure simulations of the VolturnUS-S platform. We extract both the added mass and drag coefficients that are typically used in engineering-level hydrodynamic models from the 2.5D forced oscillation simulations with various Keulegan-Carpenter numbers and compare them to the coefficients from the 3D forced oscillation simulations. We observe consistent variation of the coefficients along the pontoon legs due to 3D platform and free-surface effects. With the breadth of the simulations and component-level detailed analyses, this work establishes a useful database and several empirical formulas for selecting hydrodynamic coefficients when modeling semisubmersible platforms in engineering tools.

13 HYDRO ENERGY↗
DOE OSTI2014

P-doping-free III-nitride high electron mobility light-emitting diodes and transistors

We report that a simple metal-AlGaN/GaN Schottky diode is capable of producing GaN band-edge ultraviolet emission at 3.4 eV at a small forward bias larger than ∼2 V at room temperature. Based on the surface states distribution of AlGaN, a mature impact-ionization-induced Fermi-level de-pinning model is proposed to explain the underlying mechanism of the electroluminescence (EL) process. By experimenting with different Schottky metals, Ni/Au and Pt/Au, we demonstrated that this EL phenomenon is a “universal” property of metal-AlGaN/GaN Schottky diodes. Since this light-emitting Schottky diode shares the same active structure and fabrication processes as the AlGaN/GaN high electron mobility transistors, straight-forward and seamless integration of photonic and electronic functional devices has been demonstrated on doping-free III-nitride heterostructures. Using a semitransparent Schottky drain electrode, an AlGaN/GaN high electron mobility light-emitting transistor is demonstrated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Structure of the (110) Ln ScO 3 ( Ln =Gd,Tb,Dy) surfaces

The surface reconstruction on the (110) surface of LnScO 3 (Ln=Gd,Tb,Dy) has been investigated using x-ray photoelectron spectroscopy, atomic force microscopy, and transmission electron diffraction coupled with higher-level density-functional theory methods. The experimental techniques generate constraints on the surface chemistry and structure that are used to inform the theoretical comparison of a number of potential surface structures. The resulting structure is then compared to experimental aberration-corrected transmission electron microscopy results using multislice simulation. The surfaces of both single-crystalline substrates and hydrosauna synthesized nanoparticles exhibit a Sc-rich double layer with a Sc 3 O 4 termination.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Ghost states and surface structures of the charge density wave kagome metal ScV 6 Sn 6

In this work, we investigate the high-temperature phase of the kagome metal ScV 6 Sn 6 using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory calculations. STM topographic images of the cleaved sample reveal two distinct surface terminations: flat islands with Sn termination and trenches terminated by kagome layers with Sn as the outermost atomic layer. STS measurements on the Sn-terminated and kagome-terminated surfaces show significant differences, in particular the presence of large density of states near the Fermi level in the former case. Our first-principles calculations reveal that the charge density on the kagome-terminated surface gives rise to “ghost states” which show intensity away from surface atoms, arising due to hybridization of orbitals above the surface. These states can obscure the intrinsic properties of the surface, potentially leading to misattribution of the surface termination. This underscores the need for careful interpretation in STM studies, especially when discerning surface states of localized states. Understanding the surface structure of this versatile quantum material provides essential information for interpreting surface-sensitive experiments, tailoring material properties, engineering interfaces, and controlling stability and reactivity. This knowledge paves the way for further exploration and potential applications of kagome lattice materials in various fields, including quantum computing, topological physics, and advanced electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Photodissociation of HCN and HNC isomers in the 7-10 eV energy range

The ultraviolet photoabsorption spectra of the HCN and HNC isomers have been simulated in the 7-10 eV photon energy range. For this purpose, the three-dimensional adiabatic potential energy surfaces of the 7 lowest electronic states, and the corresponding transition dipole moments, have been calculated, at multireference configuration interaction level. The spectra are calculated with a quantum wave packet method on these adiabatic potential energy surfaces. The spectra for the 3 lower excited states, the dissociative electronic states, correspond essentially to predissociation peaks, most of them through tunneling on the same adiabatic state. The 3 higher electronic states are bound, hereafter electronic bound states, and their spectra consist of delta lines, in the adiabatic approximation. The radiative lifetime towards the ground electronic states of these bound states has been calculated, being longer than 10 ns in all cases, much longer that the characteristic predissociation lifetimes. The spectra of HCN is compared with the available experimental and previous theoretical simulations, while in the case of HNC there are no previous studies to our knowledge. The spectrum for HNC is considerably more intense than that of HCN in the 7-10 eV photon energy range, which points to a higher photodissociation rate for HNC, compared to HCN, in astrophysical environments illuminated by ultraviolet radiation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Fermi Level Engineering of Passivation and Electron Transport Materials for p-Type CuBi 2 O 4 Employing a High-Throughput Methodology

Metal oxide semiconductors are promising for solar photochemistry if the issues of excessive charge carrier recombination and material degradation can be resolved, which are both influenced by surface quality and interface chemistry. Coating the semiconductor with an overlayer to passivate surface states is a common remedial strategy but is less desirable than application of a functional coating that can improve carrier extraction and reduce recombination while mitigating corrosion. Here, a data-driven materials science approach utilizing high-throughput methodologies, including inkjet printing and scanning droplet electrochemical cell measurements, is used to create and evaluate multi-element coating libraries to discover new classes of candidate passivation and electron-selective contact materials for p-type CuBi 2 O 4 . The optimized overlayer (Cu 1.5 TiO z ) improves the onset potential by 110 mV, the photocurrent by 2.8×, and the absorbed photon-to-current efficiency by 15.5% compared to non-coated photoelectrodes. It is shown that these enhancements are related to reduced surface recombination through passivation of surface defect states as well as improved carrier extraction efficiency through Fermi level engineering. This work presents a generalizable, high-throughput method to design and optimize passivation materials for a variety of semiconductors, providing a powerful platform for development of high-performance photoelectrodes for incorporation into solar-fuel generation systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Princeton Plasma Physics Laboratory Annual Site Environmental Report for Calendar Year 2024

This report provides the US Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2024 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2024. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the US and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2024. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2024, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for nonradiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2024, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council on July 25, 2024.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Photoluminescence studies of polycrystalline Cu(In,Ga)Se{sub 2}: Lateral inhomogeneities beyond Abbe's diffraction limit

We analyze Cu(In,Ga)Se{sub 2} absorbers with a scanning near-field optical microscope (SNOM) by photoluminescence (PL). Such measurements allow one to extract local fluctuations of the integral PL yield, the quasi-Fermi level splitting, and the material composition in the submicron range. However, the experimental findings depend strongly on the surface roughness of the absorber: If the surface is rough, artifact-prone correlations between surface contour and PL features measured by SNOM can be found that complicate the study of recombination effects. For smooth surfaces, such correlations no longer exist and the influence of grain boundaries on the integral PL yield and the quasi-Fermi level splitting is revealed. The method also allows a detailed determination of the local band gaps in neighboring grains and their spatial variation inside, and thus of possibly local changes in chemical composition of different grains.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Ab-initio investigation of the effect of adsorbed salts on segregation of Cr at the Ni (100) surface

The dissolution and depletion of chromium (Cr) in salt facing nickel (Ni) alloy surfaces is one of the predominant degradation mechanisms of structural components in molten salt technology. Here, we use density functional theory to investigate the role of electronic level interactions that may underlie the depletion phenomenon of Cr in a Ni (100) surface exposed to various adsorbed salt species. Our results show that, under vacuum, Ni preferentially segregates to the surface layer. Conversely, in the presence of adsorbed anionic salt species (e.g., chlorine (Cl), fluorine (F) or the impurity oxygen (O)) Cr segregation becomes more favorable. In these cases, Cl has the weakest effect on segregation, while O has the strongest effect. Our analysis reveals the strong correlation between Cr segregation and the amount of valence charge transferred between the Cr atom and surface adsorbate: the greater the charge transfer, the lower the segregation energy. We also show that, when considered, secondary cations screen Cr-anion interactions, which in turn reduce the magnitude of the anions effect on segregation. These results shed light on the role of salt impurities likely play in the overall corrosion phenomena in molten salt environments. This work provides insights into the atomic level interactions fundamental to molten salt corrosion and on the importance of maintaining salt purity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

2022 Annual Site Environment Report, Princeton Plasma Physics Laboratory

This report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2022 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2022. PPPL’s on-site operations started to be restored in 2022, following curtailments in 2020 and 2021 for the global coronavirus (COVID-19) pandemic. PPPL has engaged in fusion energy research since 1951 and at its current locations since 1958. The Laboratory’s mission is to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world, and to develop the understanding of plasmas from the nano- to the astrophysical scale. PPPL’s primary experiment, the National Spherical Torus Experiment-Upgrade (NSTX-U) is a collaboration among national laboratories, universities, and national and international research institutions and is a major element in the US Fusion Energy Sciences Program. Its design tests the physics principles of spherical torus (ST) plasmas, playing an important role in the development of smaller, more economical fusion reactors. Due to previous operational issues, NSTX-U did not operate in 2022. PPPL is engaged in a project to replace key NSTX-U components and systems to enable the operation of this international magnetic fusion user facility. In 2022, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2022, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Annual Site Environment Report for Calendar Year 2023 - Princeton Plasma Physics Laboratory

This report provides the US Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2023 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2023. This report provides the US Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants (if any) that are added to the environment as a result of Princeton Plasma Physics Laboratory’s (PPPL) operations. This report fulfills the annual public reporting requirements of DOE Order 231.1B. The results of PPPL’s 2023 environmental surveillance and monitoring program are presented and discussed. The report also summarizes environmental initiatives, assessments, and community involvement programs that were undertaken in 2023. In 2023, PPPL’s radiological environmental monitoring program measured tritium in the air at onsite sampling stations. Using highly sensitive air monitors, PPPL is capable of detecting small changes in the ambient levels of tritium. The operation of monitors located on D-site is used to demonstrate compliance with the National Emission Standard for Hazardous Air Pollutants (NESHAPs) regulations. Also included in PPPL’s radiological environmental monitoring program, are water monitoring – ground, surface, and waste waters. PPPL’s radiological monitoring program characterized the background levels of tritium in the environment and those data are presented in this report. Ground water monitoring continued under New Jersey Department of Environmental Protection’s (NJDEP) Site Remediation Program regulations. PPPL monitored for non-radiological contaminants, mainly volatile organic compounds (components of common degreasing solvents). In 2023, PPPL complied with permit limits for surface water and sanitary wastewater discharges. PPPL was honored with an award for EPEAT-certified electronics purchasing from the Global Electronics Council on July 27, 2023.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Impact of the surface-near silicon substrate properties on the microstructure of sputter-deposited AlN thin films

In micro-/nanomachined devices and systems, aluminum nitride (AlN) thin films are widely used due to their piezoelectric properties. This work evaluates the potential of modifying the interface between the AlN thin film and the silicon (Si) wafer serving as bottom electrode for optimized crystallographic orientation and, hence, improved electrical and piezoelectric properties. The films were analyzed using temperature-dependant leakage current measurements, transmission electron microscopy, and x-ray diffraction. By preconditioning of the Si substrate surface applying sputter etching prior to film deposition, leakage current levels are substantially decreased and an increased (002) orientation of the AlN grains is observed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Observation of strontium segregation in LaAlO{sub 3}/SrTiO{sub 3} and NdGaO{sub 3}/SrTiO{sub 3} oxide heterostructures by X-ray photoemission spectroscopy

LaAlO{sub 3} and NdGaO{sub 3} thin films of different thicknesses have been grown by pulsed laser deposition on TiO{sub 2}-terminated SrTiO{sub 3} single crystals and investigated by soft X-ray photoemission spectroscopy. The surface sensitivity of the measurements has been tuned by varying photon energy hν and emission angle Θ. In contrast to the core levels of the other elements, the Sr 3d line shows an unexpected splitting for higher surface sensitivity, signaling the presence of a second strontium component. From our quantitative analysis we conclude that during the growth process Sr atoms diffuse away from the substrate and segregate at the surface of the heterostructure, possibly forming strontium oxide.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Use of DRACS to Enhance HTGRs Passive Safety and Economy

This paper discusses the use of DRACS to Enhance HTGRs Passive Safety and Economy. One of the important requirements for Gen. IV High Temperature Gas Cooled Reactors (HTGR) is passive safety. Currently all the HTGR designs use Reactor Vessel Auxiliary Cooling System (RVACS) for passive decay heat removal. [1] The decay heat first is transferred to core barrel by conduction and radiation, and then to reactor vessel by thermal radiation and convection; finally the decay heat is transferred to natural circulated air or water systems. RVACS can be characterized as a surface based decay heat removal system. Similar concepts have been widely used in sodium cooled fast reactor (SFR) designs, advanced light water reactors like AP1000. The RVACS is especially suitable for smaller power reactors since small systems have relatively larger surface area. RVACS tends to be less expensive. However, it limits the largest achievable power level for modular HTGRs due to the mismatch between the reactor power (proportional to volume) and decay heat removal capability (proportional to surface). When the relative decay heat removal capability is reduced, the peak fuel temperature increases, even close to the design limit. Annual designs with internal reflector can mitigate this effect therefore further increase the power. Another way to increase power is to increase power density. However, it is also limited by the decay heat removal capability. Besides safety, HTGRs also need to be economical in order to compete with other reactor designs. The limit of decay heat removal capability set by using RVACS has affected the economy of HTGRs. Forsberg [2] pointed out other disadvantages of using RVACS such as conflicting functional requirements for the reactor vessel and scaling distortion for integral effect test of the system performance. A potential alternative solution is to use a volume based passive decay removal system, call Direct Reactor Auxiliary Cooling Systems (DRACS), to remove or mitigate the limitation on decay heat removal capability. DRACS has been widely used in SFR designs and in liquid salt cooled high temperature reactors. The containment cooling system in BWR is another example of volume based decay removal systems. DRACS composes of natural circulation loops with two sets of heat exchangers, one in reactor side and another is in environment side. DRACS has the benefits of increasing the power as needed (scalability) and modularity. This paper introduces the concept of using DRACS to enhance HTGRs passive safety and economy.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Current algebra approach to two-dimensional interacting chiral metals

In this study, we reinterpret the chiral U(N) Wess-Zumino-Witten (WZW) model at level k>1 in (1+1) dimensions as an interacting chiral metal in two space dimensions. In this reinterpretation, spatial translations along one of the spatial dimensions in the two-dimensional chiral metal arise from a generator of the U(N) symmetry of the WZW model. The WZW model at k=1 is equivalent to Balents and Fisher's free chiral metal. Here, the U(N) symmetry corresponds to the IR symmetry of a chiral Fermi gas with (half of a) Fermi surface, with N equal to the number of points on the Fermi surface. We argue that exactly solvable interacting generalizations occur for levels k>1. Importantly, these interacting chiral metals maintain the U(N) symmetry of the free system. We calculate two-point correlation functions of the single-particle fermion operator, the U⁡(1) number density, and current operators in these theories for general k. We find that interactions (k>1) produce 1/N corrections to scaling of the single-particle fermion operator as N→∞ and renormalize the amplitudes of the density and current two-point functions. This construction illustrates the ersatz Fermi liquid proposal of Else et al.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Reconciling evidence of oxidative weathering and atmospheric anoxia on Archean Earth

Evidence continues to emerge for the production and low-level accumulation of molecular oxygen (O 2 ) at Earth’s surface before the Great Oxidation Event. Quantifying this early O 2 has proven difficult. Here, we use the distribution and isotopic composition of molybdenum in the ancient sedimentary record to quantify Archean Mo cycling, which allows us to calculate lower limits for atmospheric O 2 partial pressures ( P O 2 ) and O 2 production fluxes during the Archean. We consider two end-member scenarios. First, if O 2 was evenly distributed throughout the atmosphere, then P O 2 > 10 –6.9 present atmospheric level was required for large periods of time during the Archean eon. Alternatively, if O 2 accumulation was instead spatially restricted (e.g., occurring only near the sites of O 2 production), then O 2 production fluxes >0.01 Tmol O 2 /year were required. Archean O 2 levels were vanishingly low according to our calculations but substantially above those predicted for an abiotic Earth system.

58 GEOSCIENCES↗
DOE OSTI2011

AUTOMATED WATER LEVEL MEASUREMENTS IN SMALL-DIAMETER AQUIFER TUBES

Groundwater contaminated with hexavalent chromium, strontium-90, and uranium discharges into the Columbia River along approximately 16 km (10 mi) of the shoreline. Various treatment systems have and will continue to be implemented to eliminate the impact of Hanford Site contamination to the river. To optimize the various remediation strategies, it is important to understand interactions between groundwater and the surface water of the Columbia River. An automated system to record water levels in aquifer sampling tubes installed in the hyporheic zone was designed and tested to (1) gain a more complete understanding of groundwater/river water interactions based on gaining and losing conditions ofthe Columbia River, (2) record and interpret data for consistent and defensible groundwater/surface water conceptual models that may be used to better predict subsurface contaminant fate and transport, and (3) evaluate the hydrodynamic influence of extraction wells in an expanded pump-and-treat system to optimize the treatment system. A system to measure water levels in small-diameter aquifer tubes was designed and tested in the laboratory and field. The system was configured to allow manual measurements to periodically calibrate the instrument and to permit aquifer tube sampling without removing the transducer tube. Manual measurements were collected with an e-tape designed and fabricated especially for this test. Results indicate that the transducer system accurately records groundwater levels in aquifer tubes. These data are being used to refine the conceptual and numeric models to better understand interactions in the hyporheic zone of the Columbia River and the adjacent river water and groundwater, and changes in hydrochemistry relative to groundwater flux as river water recharges the aquifer and then drains back out in response to changes in the river level.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Total Hemispherical Emissivity of Metals Applicable to Radiant Heat Testing

Total hemispherical emissivities are a commonly used property in radiative heat transfer analysis. Measurements made in the course of testing become far more useful to thermal analysts if they are compiled with a sufficient level of detail, and summarized in a manner that allows the most appropriate value or trend to be located quickly. This report collects emissivity measurements from recent years, made in the course of testing metallic surfaces at Sandia's Radiant Heat Test Facility, and compares them to a selection of previous summary documents. These measurements are organized by material type, surface finish, and degree of oxidation. The comparisons also consider the temperature dependence of total hemispherical emissivity. Materials considered include Inconel 600, SS304, 17-4PH SS, silicon carbide, and aluminum alloys. A limited selection of high-temperature paints and other surface coatings are also considered. Recommendations are made for frequency of measurements and level of detail in reporting emissivities in future test series. A more limited scope is recommended for the use of high-temperature paints at Sandia's Radiant Heat Test Facility; pre-oxidation of Inconel and stainless steel surfaces is preferred in many circumstances.

36 MATERIALS SCIENCE↗