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DOE OSTI2025

The Atlantic Meridional Overturning Circulation’s Response to CO2 Increase: Assessing the Roles of Surface Flux and Oceanic Advection Feedbacks

Abstract The Atlantic meridional overturning circulation (AMOC) is projected to slow down in climate models due to greenhouse gas emissions. However, the physical mechanisms determining the rate of the projected AMOC slowdown remain unclear. Accordingly, this study isolates the roles of oceanic advection and surface flux feedbacks that might accelerate or decelerate the AMOC’s weakening using carbon dioxide (CO 2 ) quadrupling simulations in the CESM1.2 model. Surface flux feedbacks are isolated in partially coupled experiments in which either all surface flux components or the momentum flux responses to AMOC’s weakening that might provide feedback are suppressed, while a tracer decomposition of ocean density anomalies isolates the advection feedbacks. Comparing the ocean density components in the experiments shows that the AMOC’s response is initially determined by CO 2 -induced anomalous surface heat fluxes, and afterward, feedbacks determine its response. In the fully coupled case, surface heat flux feedback strongly promotes AMOC slowdown and causes its near shutdown, while a weaker but active AMOC is maintained when the surface flux feedback is inhibited in the partially coupled case. The positive surface heat flux feedback works by canceling out the negative oceanic heat advection feedback on deep-water formation in the subpolar North Atlantic (SPNA). With the heat advection feedback thus reduced, the positive salinity advection feedback becomes the dominant contributor to SPNA density changes and deep-water formation. In the partially coupled case, negative ocean heat advection feedback and the CO 2 -induced subtropical Atlantic saline anomalies imported into the SPNA play a stabilizing role. The results highlight the importance of SPNA salinity gradients and gyre circulation strength in determining the AMOC’s response rate or recovery.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Automatic Calibration of a Geomechanical Model from Sparse Data for Estimating Stress in Deep Geological Formations

Summary In this study, we demonstrate geomechanical modeling with fully automatic parameter calibration to estimate the full geomechanical stress fields of a prospective US carbon dioxide (CO2) storage site, based on sparse measurement data. The goal is to compute full stress tensor field estimates (principal stresses and orientations) that are maximally compatible with observations within the constraints of the model assumptions, thereby extending pointwise, incomplete partial stress measurement to a simulated full formation stress field, as well as a rough assessment of the associated error. We use the Perch site, located in Otsego County, Michigan, USA, as our case study. The input data consist of partial stress tensor information inferred from in-situ borehole tests, geophysical well logs, and processing of seismic data. A static earth model (SEM) of the site was developed, and geomechanical simulation functionality of the open-source MATLAB Reservoir Simulation Toolbox (MRST) was used to model the stress field. Adjoint-based nonlinear optimization was used to adjust boundary conditions and material properties to calibrate simulated results of observations. Results were interpreted through a Bayesian framework. The focus of this paper is to demonstrate how the fully automatic calibration procedure works and discuss the results obtained; it does not attempt a detailed analysis of the stress field in the context of the proposed CO2 storage initiatives. Our work is part of a larger effort to noninvasively determine in-situ stresses in deep formations considered for CO2 storage. Guided by previously published research on geomechanical model calibration, our work presents a novel calibration approach supporting a potentially large number of linear or nonlinear calibration parameters to produce results optimally agreeing with available measurements and thus extend partial pointwise estimates to full tensor fields compatible with the physics of the site.

Engineering↗

DOE OSTI2021

Free fermion entanglement with a semitransparent interface: the effect of graybody factors on entanglement islands

We study the entanglement entropy of free fermions in 2d in the presence of a partially transmitting interface that splits Minkowski space into two half-spaces. We focus on the case of a single interval that straddles the defect, and compute its entanglement entropy in three limits: Perturbing away from the fully transmitting and fully reflecting cases, and perturbing in the amount of asymmetry of the interval about the defect. Using these results within the setup of the Poincaré patch of AdS _2 2 statically coupled to a zero temperature flat space bath, we calculate the effect of a partially transmitting AdS _2 2 boundary on the location of the entanglement island region. The partially transmitting boundary is a toy model for black hole graybody factors. Our results indicate that the entanglement island region behaves in a monotonic fashion as a function of the transmission/reflection coefficient at the interface.

Kruthoff, Jorrit↗

DOE OSTI2021

Fork Experiments in the Hot Cell Using Spent Fuel Rods for International Nuclear Safeguards

This work leveraged the rare availability of 25 full-length pressurized water reactor spent fuel rods and 1 irradiated mixed-oxide rod at an Oak Ridge National Laboratory hot cell. This was done to collect measurement data with two Fork detectors to assess the detectors’ capability of verifying operator declaration data and detecting partial defects in spent fuel, which are the two primary goals of international safeguards on spent nuclear fuel. The data can also be used to benchmark the ORIGEN module, which has been adopted in the International Atomic Energy Agency’s (IAEA’s)/European Atomic Energy Community’s (Euratom’s) Integrated Review and Analysis Program to predict the Fork detector count rates in real time. In this project, the authors first calibrated two Fork detectors—a standard one and a modified one—by using known strong neutron and gamma sources. Then, the authors measured all 26 fuel rods at multiple locations along the length. The fuel rods were then assembled into three arrays—2 × 2, 3 × 3, and 5 × 5—by using specially designed support grids to mimic fuel assemblies and measure the arrays with both detectors. For the 5 × 5 array, 4 and 8 fuel rods of the array were replaced in two separate cases with short stainless-steel rods to mimic two partial defect scenarios, and the arrays were measured before and after the replacements. Polyethylene blocks were used in this experiment to mimic water. The results show that the Fork detectors were able to verify operator declarations and detect partial defects in spent fuel, and the authors were the first to demonstrate this through experiments. A discovery was also made that determined the root cause of the nonlinear response to gamma dose in the ion chambers used in IAEA and Euratom’s Fork detectors. After the experiments, both detectors were retrieved from the hot cell for future use. The data collected in this project will be used in a parallel International Nuclear Safeguards Engagement Program (INSEP) project to enhance the safeguards in the Finnish spent fuel encapsulation plant, and the data will be useful to other projects in the future given the increased safeguards needs due to spent fuel transfer and disposal activities worldwide.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Numerical and Analytical Modeling of the Effect of Cracks on the Self-Inductance of a COTS YJ-41003-TC Toroid

COTS inductors and transformers often contain partial cracks whose effect on inductance, a key performance parameter, have not been carefully studied. In this report, the effects of both partial and complete cracks on the self-inductance of a 100 turn square cross section COTS YJ-41003-TC toroid comprised of J Material was comprehensively investigated using both analytically derived closed form expressions and 3D computational techniques employing commercial codes. Both partial (half-penny) and complete (air gap) cracks of 10 and 25 μm were investigated. The crack is defined as the physical distance between two faces of the toroid's magnetic core, such that the surface normal of either face is along the Φ-direction, in alignment with the B-field. For the purposes of validation, two different approaches were incorporated for both the analytical and numerical models. The two analytical methods are comprised of a first principles approach based on the physics of electromagnetics, as well as linear circuit theory. The former directly utilizes the integral form of Maxwell's equations while the latter exploits the interchangeable relationship between electric and magnetic circuits. Validation within the computational scheme is realized through a code-to-code comparison between commercial solvers, COMSOL Multiphysics and CST, with the former employing the Finite Element Method (FEM) and the latter the Finite Difference Time Domain (FDTD) technique. Sound agreement between all four methods (ie., two analytical and two numerical) is observed, with results indicating that only a perturbation in self-inductance occurs for the half-penny cracks, while a substantial reduction takes place for the case of complete cracks. It is important to note that even though a static μ r is applied, representing the linear region of the BH curve (based on manufacturer specifications), the complete crack results still place a lower conservative bound on the inductance. This follows from the fact that even in the case of a half-penny crack, if the magnetic core portion of the crack approaches saturation, the crack begins to behave like an air gap, or complete crack. When an air gap is introduced into a magnetic core, a substantial reduction in inductance can occur due to the significant difference in permeabilities between the two mediums (ie., μ core >> μ air ). The once intact bulk magnetic core of the toroid essentially begins to behave like an air core.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Development of Additively Manufactured Complex Tools for Autoclave Cure Composites

IACMI Project 4.9, Tooling for Composites with Washout Features Produced by Additive Manufacturing, assembled a team including the industry lead, Ability Composites, NREL and Colorado State University (CSU). Ability Composites had originally expressed interest in alternate methods of producing tooling for composite parts. In follow-up discussions, it became clear that one of the bigger tooling challenges revolved around small production volume composite parts that were tooled on washout material due to the complex geometry. To build an understanding of the potential, both from a technology and a cost perspective, for replacing conventional washout tooling with 3D printed thermoplastic tooling, a number of commercially available dissolvable FDM printing materials were evaluated, leading to tooling representative of commercial articles of interest to Ability Composites. Ultimately, Ability Composites was able to directly compare autoclave processed prepreg composite parts produced on conventional washout tooling to composite parts molded on 3D printed dissolvable tooling produced at CSU. Small, laboratory test specimens were developed to investigate the structural performance of the candidate materials under autoclave processing conditions, which were nominally 121 °C (250 °F) and 345 kPa (50 psi). In addition, several internal structural configurations (infills) were evaluated under autoclave conditions using model materials. The results of these tests indicated that two materials, Stratasys ST 130 and Infinite Materials Solutions Aquasys 180 (AQ 180), were the best candidates, given the specified autoclave processing conditions. ST-130 was slightly more robust than AQ-180; however, the AQ-180 was carried forward as it was dissolvable in water, not requiring the basic solution needed to dissolve ST-130. Based on the preliminary material and 3D printed structures evaluations, larger tools with a truncated square pyramid geometry were created to produce prepreg composite test articles for 3D printed dissolvable tool evaluation under standard autoclave fabrication conditions. Two tools were manufactured using ST-130 and one tool using traditional ceramic washout tooling media. The tools were evaluated for geometric fidelity and surface roughness changes before and after carbon fiber/epoxy prepreg composites were manufactured on the tooling. The autoclave processing did not impact the geometry significantly and was completed at 121 °C and 345 kPa, indicating satisfactory tool performance. The results from surface roughness testing of both the resulting composite and the associated tooling indicated that an adequate surface resulted without the need for a surface sealing step, as was required for the conventional washout tooling. Based on results of the truncated pyramid tests as a basis, ST-130, AQ-120 and AQ-180 materials were carried forward to the tool geometry of interest to Ability Composites. These hollow rectangular bent ducts, which were complex in nature and not extractable after cure, were used to understand the impacts of tool material and thickness. One ST-130 tool was produced as a partially solid part, with an enclosed 40% dense infill region to reduce weight and material use. This was the same approach evaluated in the truncated pyramid portion of the study. This tool was to be envelope vacuum bagged and directly compared to a monolithic tool of conventional washout material. The traditional monolithic ceramic tool was manufactured by Ability composites using CNC-based subtractive methods. An additional five dissolvable polymer tools, manufactured from ST-130, AQ-120, and AQ-180, using a hollow design were 3D printed and used to produce carbon fiber/epoxy composite evaluation articles. These hollow dissolvable tools were expected to be less influenced by the autoclave conditions as the wall was solid and vacuum bagging was inside and outside the tool. This alternative geometry was also evaluated as an option in techno-economic modeling. Print times were reduced from in excess of 3 days to under 30 hours, while surface quality and and tool integrity were substantially improved in the transition from the partially solid tool to the hollow tooling concept. Ability Composites produced autoclave-cured prepreg ducts on each of these tools. The autoclave conditions utilized were more severe than those of the initial trials, reaching temperatures of 160 °C and a pressure of 414 kPa. Under these conditions, the partially solid 3D printed tool with skin and 40% dense infill crushed significantly; however, the thicker ST-130 hollow tool showed good promise, deforming only slightly. The thinner hollow tool walls were unsuccessful as were the other materials. Overall, the hollow tool manufacturing process saved significant amounts of time and material in manufacturing as compared to the solid ducts and produced composite surface quality improvements compared to the traditional washout tooling. The TEM was developed to allow direct comparisons between conventional washout tool manufacturing processes and those developed at CSU. It also allowed for two separate 3D printed tool geometries to be analyzed and compared. In this case, the square bent duct tool geometry was determined to be representative of common washout tools. This geometry was compared with a scaled-up version of it to assess differences in the two manufacturing processes based on tool size. The model was developed to make use of user input in the form of geometry details, process steps, manufacturing parameters, bulk material costs, capital equipment costs, and general costs to calculate overall labor, material, capital equipment, and energy costs per manufactured tool for the conventional and additive manufacturing processes for the two representative geometries. It was also able to estimate step-by-step process times for the manufacturing process and geometries. Based on significant input from Ability Composites and CSU from their knowledge gained from hands-on manufacturing of the 3D printed bent duct tool geometry, costs and process times were calculated for the two manufacturing processes. Results showed that the additive manufacturing techniques developed at CSU can substantially reduce the costs of tool manufacturing by reducing labor times and material usage. This is because additive manufacturing is a relatively hands-off process and allows for the tool design to be optimized to reduce material usage. The disadvantage, however, is that process times for additive manufacturing are significantly longer. The three-dimensional (3D) printing process is slow if tight tolerances are required, but the analysis did show that print times could be reduced with the hollow tool geometry. Also, further advances in additive manufacturing could expedite the process. Costs and process times for the tool washout process were calculated separately. They showed that costs are relatively insignificant when compared to the overall tool manufacturing processes, but with increases in tool size, costs for the conventional manufacturing approach are larger than for additive manufacturing. Again, the washout process for conventional tools is very hands-on, whereas for additively manufactured tools the print medium is dissolved in an automated detergent bath at the sacrifice of process time. The analysis showed that optimizing the additively manufactured tools may also reduce washout times. Overall, Project 4.9 demonstrated that commercially available dissolvable 3D printing materials exist that can be used to produce dissolvable tooling capable of surviving prepreg composites fabrication under autoclave conditions of 121 °C (250 °F) and 345 kPa (50 psi). An alternative hollow dissolvable tool design was developed which was structurally superior to the initial concept and was cost and time effective versus conventional washout tooling. The 3D printed sacrificial tool required no added surface sealing steps prior to composite part layup and cure, offering a significant advantage over the porous conventional washout tooling.

36 MATERIALS SCIENCE↗

DOE OSTI2022

A skew quadrupole for the AGS to minimize the polarization losses of the polarized beams

The partial helices installed in the Alternating Gradient Synchrotron (AGS) 9 [1] eliminate both, the imperfection and the vertical intrinsic spin resonances thus yielding a 70% polarized proton beam with rigidity 79.4 [Tm] with 2x10 11 protons/bunch at the end of the AGS acceleration cycle. The initial beam polarization at the exit of the 200 MeV Linac is measured to be 80%. The 10% loss of the polarization at the end of the AGS acceleration cycle is due to the horizontal spin resonances which are caused by the betatron oscillations of the beam in the presence of the partial helices. To reduce the effect of these horizontal spin resonances on the beam polarization, the “jump Quads method” is applied in the AGS [2] which eliminates, almost all, the horizontal spin resonances and increases the final polarization of the proton beam to the value of 70%. A study [3] shows that these horizontal spin resonances can be totally eliminated by introducing into the AGS ring, skew quadrupoles which linearly couple the beam motions to excite new horizontal spin resonances which minimize the horizontal-spin-resonances caused by the partial-helices.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

BayoTech Risk and Modeling Support of NM Gas Site

The BayoTech hydrogen generation system has been evaluated in terms of safety considerations at the NM Gas site. The consequence of a leak in different components in the system was evaluated in terms of plume dispersion and overpressure. Additionally, the likelihood of a leak scenario for different hydrogen components was identified. The worst-case plume dispersion cases, full-bore leaks, resulted in relatively large plumes. However, these cases were noted to be far less likely than the partial break cases that were evaluated. The partial break cases resulted in nearly negligible plume lengths. Similarly, the overpressure analysis of the full-bore break scenarios resulted in much larger overpressures than the partial break cases (which resulted in negligible overpressure at the lot line). There were several cases evaluated in the analysis that represented leak scenarios from both hydrogen and natural gas sources. Generally, the natural gas leak scenarios resulted in a smaller horizontal impact than that of hydrogen leaks. The worst-case consequence from a hydrogen leak resulted from the compressors, storage pods, or dispensing system. To consider the safety features that may isolate the leak, the consequence was evaluated at different times after the leak event to show the reduction of pressure. After 2 seconds, the plume dispersion from this event is contained within the perimeter of the site. The worst-case consequences show that the plume may disperse to adjacent facilities and to the street. When considering both likelihood and consequence, the risk may be considered low because the maximum frequency of a full-bore leak from any component within the hydrogen compound is 8.2 E-5/yr. This means that a full-bore leak is expected to occur less than once every 10,000 years. The risk can be further reduced by implementing mitigative countermeasures, such as CMU walls along the sides of the equipment compound. This would reduce the overall consequence of the worst-case dispersion scenarios (horizontal impact of plume). In terms of siting and safety analysis, the NFPA 2 code was used to provide a high-level evaluation of the current site plan. The most limiting equipment in terms of set-back distance are the compressors/storage units because of the high-pressure hydrogen. The site layout was evaluated for an acceptable location for the compression/storage unit based on NFPA 2 set-back distances. It is important to note that the NFPA 2 set-back distances consider both likelihood and consequence. This is important because the worst-case results evaluated herein also represent the least likely leak scenario. Other site-specific considerations were evaluated, including the parking shade structure with photovoltaic cells and refueling vehicles. These issues were dispositioned and determined to not present a safety risk.

08 HYDROGEN↗

DOE OSTI2021

PNNL ARENA Cable Motor Test Bed Update

A major focus of the Light Water Reactor Sustainability (LWRS) Cable Nondestructive Examination (NDE) 2021 research is to acquire new equipment and integrate it with existing NDE instruments for a cable motor test bed which has been dubbed the Accelerated and Real Time Experimental Nodal Analysis or “ARENA”. All the primary components have been received and are being staged in the 2410 Stevens building on PNNL’s Richland campus. Building modifications to support a plug-in 480VAC receptacle have been completed and details of the system operating procedure (SOP) are in review. The approved SOP is required before the system is energized but is expected before July 2021. The ARENA system will support planned cable tests for 2021 and beyond that cannot conveniently be performed with on-site installations of cable test equipment including: (1) NDE Tests including Frequency Domain Reflectometry (FDR), Time Domain Reflectometry (TDR), Tan Delta (TD) Impedance measurements, Low Frequency Dielectric Spectroscopy (DS) measurements, standard multi-meter resistance checks, withstand tests and other bulk and distributed tests from the instrument panel with and without motors connected. (2) Online energized live wire tests using partial discharge instruments and LIVE-WIRE spread-spectrum TDR instruments. (3) Cable tests with partially submerged cable segments (including ability to submerge live cable segments). (4) Cable tests with partially or completely thermally aged segments (including ability to expose energized cable segments to thermal aging and use online monitoring instruments to monitor cable performance. (5) Ability to introduce low resistance simulations of connector or splice faults to off-line and on-line instrument setups.

42 ENGINEERING↗

DOE OSTI2022

High Performance SOFCs with a Superior Stability for Reliable and Durable Power Systems

Next generation of fuel cells, electrolyzers, and batteries requires higher power, faster kinetics, and larger energy density, which necessitate the use of compositionally complex oxides to achieve multifunctionalities and activity. These compositionally complex oxides may change their phases and structures during an electrochemical process – a so-called “electrochemically driven phase transformation”. The origin for such a phase change has remained obscure. More importantly, there is a need to develop high performance solid oxide fuel cells with an enhanced stability. In this work, the La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3 (LSCF) cathode surface is modified by infiltration of Pr 6 O 11 and the power density at 0.8V and 750 °C is improved by 21%. In addition, by replacing the traditional barrier layer Gd 0.2 Ce 0.8 O 1.9 with mixed conducting Pr 0.1 Gd 0.1 Ce 0.8 O 1.9 , the power density increases by 38%. The different mechanism of promotions was investigated by electrochemical impedance spectroscopy. The ohmic resistance is dramatically reduced by applying the PGCO interlayer, and the distribution of relaxation time was used to analyze the mechanism for which the polarization resistance was decreased attributing to the mixed conduction nature in PrO x . An increase of power density at 0.8 V of 0.358 W/cm 2 (71%) is achieved with the implementation of both surface modification and buffer layer engineering. An experimental study and a theoretical analysis were then carried out on phase evolution in praseodymium nickelates. Nickelate-based electrodes show up to 60× greater phase transformation during operation when compared to thermally annealed ones. Theoretical analysis suggests that the presence of a reduced oxygen partial pressure at the interface between the oxygen electrode and the electrolyte is the origin for the phase change in an oxygen electrode. Guided by the theory, an addition of the electronic conduction in the interface layer leads to the significant suppression of phase change, while improving cell performance and performance stability. When an oxygen electrode is under polarization, the oxygen partial pressure at the interface between the oxygen electrode and the electrolyte is lower than that of incoming oxidant. Under a high polarization, the environment at the aforementioned interface may lead to phase transformation of the oxygen electrode. The local oxygen partial pressure is determined by the transport properties at the interfaces. An addition of the electronic conduction in the interface layer, for instance using (Pr,Gd)-doped ceria to replace Gd-doped ceria, results in improved cell performance and performance stability, while the phase transformation is significantly suppressed. This work provides a fundamental understanding of the origin for phase transformation in oxygen electrodes during operation and use this knowledge to develop a high-performance electrode that exhibits improved performance stability.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2024

Fracture resistance of vintage cast iron in gaseous hydrogen

In an effort to decarbonize legacy energy systems, several projects around the world are exploring alternatives to natural gas. Gaseous hydrogen is proposed as a carbon-free fuel to displace natural gas in existing legacy natural gas distribution systems, some of which continue to operate after 100 years (or more) in service. These systems, particularly in older industrial centers, contain cast iron pipe. However, the fracture resistance of most metals is degraded in gaseous hydrogen environments. This study evaluated the fracture resistance of several legacy cast iron pipe materials while exposed to gaseous hydrogen. Measurements were performed in three environments: air, a gas mixture with hydrogen partial pressure of 1 bar and pure hydrogen with a partial pressure of 34 bar. Although cast iron is generally considered a low ductility metal, elastic-plastic fracture methods are needed to assess the fracture resistance of the relatively small specimens that can be extracted from legacy pipe. Hydrogen reduced the fracture resistance of these cast iron materials by 10-40%. In air, the fracture resistance was determined to be as high as 21 MPa m 1/2 , whereas in gaseous hydrogen at pressure of about 1 bar the fracture resistance was as low as 13 MPa m 1/2 . Additional modest degradation of the fracture resistance was assessed at higher partial pressure (as low as 12 MPa m 1/2 ).

08 HYDROGEN↗

DOE OSTI2026

ACRRF High-Bay Dose Calculations using MCNP (Part A)

Analytical tools and models have been developed as a starting point for directly assessing dose in the Annular Core Research Reactor Facility (ACRRF) due to reactor operation. Key results include peak dose along the Central Cavity (CC) centerline (beamline) at the cavity level, dose throughout the High-Bay (HB), and dose on the facility roof for partially-shielded reactor operation where the 4” insert is removed from the CC Shield Plug (SP). Model results in the beamline are benchmarked against measured doses from passive dosimetry evaluations. Personnel total (neutron and gamma) dose in the ACRRF HB is calculated using Monte Carlo N-Particle (MCNP). Various CC and SP configurations are analyzed, including unshielded (no SP) and partially shielded (SP installed but 4” insert removed). Novel application of Variance Reduction (VR) techniques, namely the Surface Source Write (SSW) and Surface Source Read (SSR) capabilities in MCNP, enable impressive resolution (in a Monte Carlo modeling sense) of dose throughout much the facility. The VR techniques reduce stochastic error for challenging tallies, with more advanced techniques explored in the companion to this report (Part B) [1]. Supplementary studies (including a verification analysis) and pedagogic evaluations in Part B involve neutron spectra, angular distributions, and the dose impact of facility characteristics. With the SP 4” insert removed and the Lead-Boron (44”) Bucket (LB–44) in the reactor cavity, Total Effective Dose (TED) within the CC beamline is ≈140 rem per 300 MJ of reactor yield (or 3900 rem per hour at 100% Steady-State (SS) power). With no SP (unshielded) and a Free-Field (FF) cavity, TED within the beamline is ≈610 rem per 300 MJ (or 17000 rem per hour at 100% SS power). Due to the predicted collimation of radiation by the reactor pool (and partial SP, if present), beamline dose is much greater than the scattered radiation field surrounding the cavity and reactor tank. Comparisons are made to beamline dosimetry measurements to validate the model. Model predictions agree reasonably well (⪅10%) with measured quantities of neutron fluence, gamma fluence, and spectral metrics. Away from the beamline, comparisons made to previous dose measurements in the HB agreement within an order of magnitude.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2021

Fossil Corals With Various Degrees of Preservation Can Retain Information About Biomineralization-Related Organic Material

Scleractinian corals typically form a robust calcium carbonate skeleton beneath their living tissue. This skeleton, through its trace element composition and isotope ratios, may record environmental conditions of water surrounding the coral animal. While bulk unrecrystallized aragonite coral skeletons can be used to reconstruct past ocean conditions, corals that have undergone significant diagenesis have altered geochemical signatures and are typically assumed to retain insufficient meaningful information for bulk or macrostructural analysis. However, partially recrystallized skeletons may retain organic molecular components of the skeletal organic matrix (SOM), which is secreted by the animal and directs aspects of the biomineralization process. Some SOM proteins can be retained in fossil corals and can potentially provide past oceanographic, ecological, and indirect genetic information. Here, we describe a dataset of scleractinian coral skeletons, aged from modern to Cretaceous plus a Carboniferous rugosan, characterized for their crystallography, trace element composition, and amino acid compositions. We show that some specimens that are partially recrystallized to calcite yield potentially useful biochemical information whereas complete recrystalization or silicification leads to significant alteration or loss of the SOM fraction. Our analysis is informative to biochemical-paleoceanographers as it suggests that previously discounted partially recrystallized coral skeletons may indeed still be useful at the microstructural level.

58 GEOSCIENCES↗

DOE OSTI2022

Kink solutions with power law tails

We present a comprehensive review about the various facets of kink solutions with a power law tail, which have received considerable attention during the last few years. This area of research is in its early stages; although several aspects have become clear by now, there are a number of issues which have only been partially understood or not understood at all. We first discuss the aspects which are reasonably well known and then address in some detail the issues which are only partially or not understood at all. We present a wide class of higher (than sixth) order field theory models admitting implicit kink as well as mirror kink solutions where the two tails facing each other have a power law or a power-tower type fall off, whereas the other two ends not facing each other could have either an exponential or a power law tail. The models admitting implicit kink solutions where the two ends facing each other have an exponential tail while the other two ends have a power law tail are also discussed. Moreover, we present several field theory models which admit explicit kink solutions with a power law fall off; we note that in all these polynomial models while the potential V ( ϕ ) is continuous, its derivative is discontinuous. We also discuss one of the most important and only partially understood issues of the kink–kink and the kink–antikink forces in case the tails facing each other have a power law fall off. Finally, we briefly discuss the kink–antikink collisions at finite velocity and present some open questions.

power-tower tail↗

DOE OSTI2021

Influence of Heterointerfaces on the Kinetics of Oxygen Surface Exchange on Epitaxial La 1.85 Sr 0.15 CuO 4 Thin Films

Considerable attention has been directed to understanding the influence of heterointerfaces between Ruddlesden–Popper (RP) phases and ABO 3 perovskites on the kinetics of oxygen electrocatalysis at elevated temperatures. Here, we report the effect of heterointerfaces on the oxygen surface exchange kinetics by employing heteroepitaxial oxide thin films formed by decorating LaNiO 3 (LNO) on La 1.85 Sr 0.15 CuO 4 (LSCO) thin films. Regardless of LNO decoration, tensile in-plane strain on LSCO films does not change. The oxygen surface exchange coefficients (kchem) of LSCO films extracted from electrical conductivity relaxation curves significantly increase with partial decorations of LNO, whereas full LNO coverage leads to the reduction in the kchem of LSCO films. The activation energy for oxygen exchange in LSCO films significantly decreases with partial LNO decorations in contrast with the full coverage of LNO. Optical spectroscopy reveals the increased oxygen vacancies in the partially covered LSCO films relative to the undecorated LSCO film. We attribute the enhanced oxygen surface exchange kinetics of LSCO to the increased oxygen vacancies by creating the heterointerface between LSCO and LNO.

25 ENERGY STORAGE↗

DOE OSTI2021

Laboratory Study of the Torus Instability Threshold in Solar-relevant, Line-tied Magnetic Flux Ropes

Coronal mass ejections (CMEs) occur when long-lived magnetic flux ropes (MFRs) anchored to the solar surface destabilize and erupt away from the Sun. This destabilization is often described in terms of an ideal magnetohydrodynamic instability called the torus instability. It occurs when the external magnetic field decreases sufficiently fast such that its decay index, ${n}_{}=-z\,\partial (\mathrm{ln}{B}_{})/\partial z$, is larger than a critical value, $n\gt {n}_{\mathrm{cr}}^{}$, where ${n}_{\mathrm{cr}}^{}=1.5$ for a full, large aspect ratio torus. However, when this is applied to solar MFRs, a range of conflicting values for ${n}_{\mathrm{cr}}^{}$ is found in the literature. To investigate this discrepancy, we have conducted laboratory experiments on arched, line-tied flux ropes and applied a theoretical model of the torus instability. Our model describes an MFR as a partial torus with foot points anchored in a conducting surface and numerically calculates various magnetic forces on it. This calculation yields better predictions of ${n}_{\mathrm{cr}}^{}$ that take into account the specific parameters of the MFR. Here, we describe a systematic methodology to properly translate laboratory results to their solar counterparts, provided that the MFRs have a sufficiently small edge safety factor or, equivalently, a large enough twist. After this translation, our model predicts that ${n}_{\mathrm{cr}}^{}$ in solar conditions falls near ${n}_{\mathrm{cr}}^{\mathrm{solar}}\sim 0.9$ and within a larger range of ${n}_{\mathrm{cr}}^{\mathrm{solar}}\sim (0.7,1.2)$, depending on the parameters. The methodology of translating laboratory MFRs to their solar counterparts enables quantitative investigations of CME initiation through laboratory experiments. These experiments allow for new physics insights that are required for better predictions of space weather events but are difficult to obtain otherwise.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Stellar Characterization and Radius Inflation of Hyades M-dwarf Stars from the APOGEE Survey

We present a spectroscopic analysis of a sample of 48 M-dwarf stars (0.2 M ⊙ < M < 0.6 M ⊙ ) from the Hyades open cluster using high-resolution H-band spectra from the Sloan Digital Sky Survey/Apache Point Observatory Galactic Evolution Experiment (APOGEE) survey. Our methodology adopts spectrum synthesis with LTE MARCS model atmospheres, along with the APOGEE Data Release 17 line list, to determine effective temperatures, surface gravities, metallicities, and projected rotational velocities. The median metallicity obtained for the Hyades M dwarfs is [M/H] = 0.09 ± 0.03 dex, indicating a small internal uncertainty and good agreement with optical results for Hyades red giants. Overall, the median radii are larger than predicted by stellar models by 1.6% ± 2.3% and 2.4% ± 2.3%, relative to a MIST and DARTMOUTH isochrone, respectively. We emphasize, however, that these isochrones are different, and the fractional radius inflation for the fully and partially convective regimes have distinct behaviors depending on the isochrone. Using a MIST isochrone there is no evidence of radius inflation for the fully convective stars, while for the partially convective M dwarfs the radii are inflated by 2.7% ± 2.1%, which is in agreement with predictions from models that include magnetic fields. For the partially convective stars, rapid rotators present on average higher inflation levels than slow rotators. The comparison with SPOTS isochrone models indicates that the derived M-dwarf radii can be explained by accounting for stellar spots in the photosphere of the stars, with 76% of the studied M dwarfs having up to 20% spot coverage, and the most inflated stars with ~20%–40% spot coverage.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Reducing Sample Loss in Measurement of Heat of Vaporization of Ethanol/Gasoline Blends by Differential Scanning Calorimetry/Thermogravimetric Analysis

Higher gasoline Heat of Vaporization (HOV) can enable higher compression-ratio direct injection spark ignition engines by providing evaporative cooling that effectively increases fuel knock resistance. Methods to directly measure this fuel property in complex gasoline samples are not well developed. The objective of the present study was to further improve a Differential Scanning Calorimetry/Thermogravimetric Analyzer (DSC/TGA) method to measure the total and partial HOV of gasoline. Ten market gasoline samples were chosen to have a wide range of properties to assess the method's capability across the entire volatility range with an emphasis on understanding how well the method captures the initial 10 percent (%) of sample evaporation and how much sample is left unevaporated at the end of the experiment. Modifications to the sample preparation/introduction method as well as to the instrument itself were made to reduce initial sample losses which included measurements of the HOV at 10 degrees C and 5 degrees C (in a cold chamber) as well as under (uncontrolled) ambient conditions. Experimental results from the DSC/TGA were compared to calculated total HOV results based on Detailed Hydrocarbon Analysis (DHA). Results from the two methods agreed very well with the difference being 5% or less in almost every case. In addition, the repeatability of the method was investigated by analyzing samples in triplicate at the three temperatures investigated. One valuable conclusion from the study was that the lower temperatures of 10 degrees C and 5 degrees C enabled more reproducible measurements for both total and partial HOV. This improved precision may be caused by the fact that temperature control in the cold chamber was more reliable than the ambient laboratory temperature control. Additionally, cold chamber experiments, due to ergonomic limitations, did not allow for the use of a lid on the sample pan. The reproducibility of the evaporation rate was found to be highly dependent on the pan/lid fit which can vary significantly such that elimination of the lid improved measurement precision while operation at sub-ambient temperature slowed the evaporation rate. Results detailing sample preparation and instrument modifications as well as a detailed comparison of total and partial HOV results are presented.

ADVANCED PROPULSION SYSTEMS,BIOMASS FUELS↗