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Primary and Low-Strain Creep Models for 9Cr Tempered Martensitic Steels Including the Effects of Irradiation Softening and High-Helium Re-Hardening

Primary and low-strain creep represents a very important integrity challenge to large, complex structures, like fusion reactors. Here, we develop a predictive empirical primary creep model for 9Cr tempered martensitic steels (TMS), relating the applied stress (σ) to strain (ε), time (t) and temperature (T). The most accurate model is based on the applied σ normalized by the steel’s T-dependent ultimate tensile stress (σo), σ/σo(T). The model, fit to 17 heats of 9Cr TMS, yielded a σ root mean square error (RMSE) of ≈±11 MPa. Notably, the model also provides robust predictions for all the other TMS, when calibrated only by the fusion candidate Eurofer97 database. The model was extended to explore two possible effects of neutron irradiation, which produces both displacements per atom (dpa) and helium (He in atomic parts per million, appm) damage. These effects, which have not been previously considered, include: (a) softening, as a function of dpa, at T > ≈400–450 °C, in low-He fission environments (<1 He/dpa); and (b) subsequent re-hardening in high-He (≥10 He/dpa) fusion first-wall environments. The irradiation effect models predict (a) accelerated primary creep due to irradiation softening; and (b) fully arrested creep due to high-He re-hardening.

Alam, Md Ershadul (ORCID:0000000345968026)↗

A mechanism for reduced compression in indirectly driven layered capsule implosions

High-yield implosions on the National Ignition Facility rely on maintaining low entropy in the deuterium–tritium fuel, quantified by its adiabat, in order to efficiently couple energy to the hot spot through high compression of the fuel layer. We present very-high-resolution xRAGE simulation results that study the impacts of interfacial mixing and the jetting of materials due to surface defects, defects on internal interfaces, voids, and engineering features on fuel layer compression. Defects and voids are typically neglected in implosion simulations due to their small size and three-dimensional geometry. Our results showed that supersonic jets of material arise through weak spots in the shell at peak implosion velocity that prevent uniform compression of the fuel layer even when they do not introduce contaminant into the hot spot. This occurs despite maintaining low fuel entropy, since the formation of the weak spots involves nonradial displacement of fuel mass. In contrast, simulations show that fuel–ablator mixing due to interfacial instabilities has a much smaller impact on compression. We show that defects on interior interfaces of plastic capsules decrease compression by 15% to 25% and interfacial mixing between the ablator and fuel decreases compression by less than 1% for implosions with plastic or high-density carbon (HDC) ablators. For low adiabat implosions, the impact of jetting seeded by the support tent can also decrease the compression by 25%. We demonstrate that the inclusion of interior defects in simulations can explain the inferred compression in two fielded plastic capsule implosions and that the inclusion of voids, for which available characterization has large uncertainties, in simulations of HDC capsule implosions has a qualitatively consistent impact. This mechanism offers a potential explanation for persistently overestimated fuel compression in design simulations of layered implosions on the National Ignition Facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Air Carbon for Algae Production (AirCAP) – Expanding algae resource potential via direct (in-pond) air-CO2 capture.

Microalgae biofuel production potential in the United States is constrained by a lack of suitable cultivation locations within a close proximity to CO2 point-sources. Initial estimates suggest that removing the requirement of a concentrated CO2 source expands resource potential ten-fold, allowing the projection of production levels that approach levels of current U.S. diesel consumption. Decoupling cultivation locations from concentrated CO2 point-sources requires direct capture of air-CO2 into the pond bulk at a rate sufficient to meet maximum expected carbon assimilation rates (10 g C/m2-day and higher). Enhancement of the ingassing rate via chemical reaction, the direct reaction of dissolved CO2 with hydroxide ions, has been proposed as a mechanism to increase the ingassing rate of air-CO2. The central objectives of this project are to validate whether chemically enhanced air-CO2 ingassing rates in large raceway ponds can meet or exceed the level required to support high levels of algae productivity, then subsequently identify alkaliphilic strains able to withstand such conditions while maintaining a biomass productivity that enables process economics. Full scale ponds (~1 acre, unlined) will be used to validate ingassing rates as a function of pH expected at scale in a series of abiotic experiments. To date, mass-transfer dynamics have been characterized in ponds ranging from 1 to 1,000 m2. Initial results will be presented describing the mass transfer coefficient in 1-acre (~4,000 m2), unlined ponds. The maximum expected carbon ingassing rate will be measured during ingassing trials, in which pond pH is displaced from equilibrium via the addition of a strong base, with the subsequent decrease in pH (and increase in dissolved inorganic carbon) corresponding to the air-CO2 absorption rate. A mass-transfer model, validated with experimental results, will be used to project ingassing rates expected at pond scales (10 acres) required for production of commodity chemicals.

09 BIOMASS FUELS↗

Mechanical behavior analysis using small-size graphite disc compression testing with digital image correlation methods

The ASTM International Standard Test Method for Tensile Stress-Strain of Carbon and Graphite (ASTM C749) requires dog-bone shaped specimens. Unfortunately, specimen sizes required in ASTM C749 are much too large for irradiation within a test reactor and are incompatible with irradiation capsule volumes, molten salt degradation facilities, or oxidation apparatus. The ASTM International Standard Test Method for Tensile Strength Estimate by Disc Compression of Manufactured Graphite (ASTM D8289) was developed as an alternative that provides a means for testing tensile properties using smaller specimens when geometric constraints are present. However, the important stress–strain relation throughout the test loading history that could be recorded using ASTM C749 is lost by using ASTM D8289 because of the difficulties involved with using traditional strain gauges or extensometers on such a small specimen. In this work, a digital image correlation (DIC) method, which uses a full-field noncontact surface displacement measurement technique, was applied along with the ASTM D8289 splitting tensile test on eight small samples of graphite grade Mersen 2114 to track their deformation during compressive loading. Initial results showed that the DIC technique can measure the surface displacement/strain on these small (Ø6 × 3 mm) graphite specimens with high accuracy and good repeatability, indicating that the DIC technique, combined with the small-disc splitting tensile test in ASTM D8289, can capture the strain evolution in the test. In conclusion, further comparison of measured strains with analytical and numerical simulation results provides additional understanding of the mechanical behaviour of this nuclear graphite material in complex stress states.

36 MATERIALS SCIENCE↗

A cohesive zone treatment for the material point method involving problems of large deformation and damage

A new algorithm is described that permits the use of cohesive zones in the material point method for problems involving large deformation and fracture. In contrast to previous cohesive zone implementations, this method does not utilize massless surface-element particles. Instead, cohesive tractions are computed using the shape function mappings from a reference grid configuration in combination with explicitly defined particle surface normals and surface positions. These normals and relative surface positions are updated each time step according to particle deformation. The tractions are converted to cohesive forces using the nodal areas and mapped back to particles using the same reference shape function mappings. These forces are then remapped by conventional particle-to-grid interpolation as external forces using the current-configuration shape-function mappings. This allows highly compliant cohesive zones to function over jump displacements larger than a grid cell. Upon damage, these interfaces can revert to conventional multi-field contact surfaces. This approach is general and readily applies to two and three dimensions as well as being compatible with damage-field gradient partitioning offering exceptional computational flexibility. The framework for this method enables other capabilities, such as improved contact precision using explicitly defined surface normals and positions, and a method to mitigate spurious material damage at weak discontinuities between stiff brittle materials and soft or compliant materials.

Cohesive zone↗

Correlated metals and unconventional superconductivity in rhombohedral trilayer graphene: A renormalization group analysis

Here, motivated by recent experimental observations of correlated metallic phases and superconductivity in rhombohedral trilayer graphene (RTG), we perform an unbiased study of electronic ordering instabilities in hole-doped RTG. Specifically, we focus on electronic states energetically proximate to Van Hove singularities (VHSs), where a large density of states promotes different interaction-induced symmetry-breaking electronic orders. To resolve the Fermi surface near VHSs, we construct a fermionic hot-spot model and demonstrate that a perpendicular electric field can tune different nesting structures of the Fermi surface. Subsequently, we apply a renormalization group analysis to describe the low-energy phase diagrams of our model under both short-range repulsive interactions as well as realistic (long-range) Coulomb interactions. Our analysis shows instabilities towards either intervalley coherent metallic phases or superconducting phases. The dominant pairing channel depends crucially on the nature of Fermi surface nesting—repulsive Coulomb interaction favors spin-singlet d-wave pairing for relatively small displacement field and spin-singlet i-wave pairing for larger displacement field. We argue that the phase diagram of RTG can be well-understood by modeling the realistic Coulomb interaction as the sum of repulsive density-density interaction and ferromagnetic spin-triplet intervalley coherence (IVC) Hund's coupling, while phonon-mediated electronic interactions have a negligible effect on this system, in sharp contrast to twisted graphene multilayers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Radiation effects on stress evolution and dimensional stability of large fusion energy structures

Here we assess the effects of neutron irradiation on the deformation and stress evolution of large-scale fusion energy structures. This is accomplished through non-linear finite element structural analysis of the coupled thermal and mechanical fields at the Beginning-Of-Life (BOL), at 45 dpa, and at 90 dpa. Radiation effects include volumetric swelling and the influence of radiation on the mechanical properties. The system studied here is a large section of a full inboard module of an integrated structure comprising the First Wall and Blanket (FW/B) of a Dual Cooled Lithium-Lead (DCLL) energy conversion unit in the Fusion Nuclear Science Facility (FNSF). The structural material is the ferritic/martensitic steel F82H. We analyze several radiation effects phenomena that can lead to significant impact on the mechanical design and lifetime of the structure. These include volumetric swelling effects on the assembly and disassembly of modules and the impact of spatial gradients in neutron damage and helium generation on deformation, stress evolution, and plastic strain accumulation. We show that the stress state is strongly influenced by the accumulation of swelling strains, radiation hardening and softening, and by spatial gradients in displacement damage and helium gas generation. Several key regions in the FW/B structure are identified where severe plastic strains accumulate and may be potential sites for failure, especially during cyclic reactor operations. We finally show that minimum gaps between Inboard (IB) blanket sectors must be present during assembly so as to avoid excessive stress and strain in FW/B modules critical regions and raising chances of failure. A range of structural displacements are shown, from as low as 4 mm at BOL for free side walls to as high as 46 mm at 90 dpa for fully constrained side walls.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Stretching and Bending Moduli of Bilayer Films Inferred from Wrinkle Patterns

Wrinkling patterns were used to investigate the mechanical properties of thin poly­(styrene) (PS)/poly­(methyl methacrylate) (PMMA) and PS/gold (Au) bilayer films. Films were floated on water with a water drop on the surface to induce wrinkling. The thicknesses and thickness ratios of the films were varied over a broad range. The PS/PMMA bilayer was chosen to provide a contrast in wetting properties, with equilibrium contact angles of θPMMA = 68° and θPS = 88° with water. The PS/Au bilayer was chosen to provide a large contrast in Young’s moduli, E Au = 72 GPa and E PS = 3.4 GPa. The stretching (Y) and bending (B) moduli of the bilayer films were obtained from measurements of the length and number of wrinkles in the wrinkle patterns. The experimentally derived values of Y and B were in reasonable agreement with the values computed from the bulk Young’s moduli and the thicknesses of the two components in the bilayer. The values of Y and B did not depend on which face of the film was exposed to the water droplet or bath when the capillary stresses were considered. Thus, finite size effects from the film thicknesses were unimportant over the range of thicknesses studied, and no relative displacement of the films was found, with the films remaining well-bonded even with deformation associated with wrinkling.

Chang, Jooyoung↗

Microstructural Characterization of the Second High Fluence Baffle-Former Bolt Retrieved from a Westinghouse Two-loop Downflow Type PWR

As one of the pressurized water reactor (PWR) internal components, baffle-former bolts (BFBs) are subjected to significant mechanical stress and neutron irradiation from the reactor core during the plant operation. Over the long operation period, these conditions lead to potential degradation and reduced load-carrying capacity of the bolts. In support of evaluating long-term operational performance of materials used in core internal components, the Oak Ridge National Laboratory (ORNL), through the Department of Energy (DOE), Light Water Reactor Sustainability (LWRS) Program, Materials Research Pathway (MRP) has harvested two high fluence BFBs from a commercial Westinghouse two-loop downflow type PWR. The two bolts of interest, i.e. bolts # 4412 and 4416, were withdrawn from service in 2011 as part of a preventative replacement plan. No identification of cracking or potential damage was found for these bolts during their removal in 2011. However, the bolts required a lower torque for removal from the baffle structure than the original torque specified during installation. Irradiation displacement damage levels in the bolts range from 15 to 41 displacements per atom. The goal of this project is to perform detailed microstructural and mechanical property characterization of BFBs following in-service exposures. The information from these bolts will be integral to the LWRS program initiatives in evaluating end of life microstructure and properties. Furthermore, valuable data will be obtained that can be incorporated into model predictions of long-term irradiation behavior and compared to results obtained in high flux experimental reactor conditions. In this report, we present our latest study in FY22 on microstructural characterizations of the second high fluence baffle-former bolt, i.e., bolt # 4412. Analytical electron microscopy and atom probe tomography characterization were performed. The radiation-induced defects in the material add to the large wealth of knowledge for neutron-induced defects in 304/316 grades of stainless steels, specifically for radiation-induced precipitation after high fluence commercial PWR irradiation. The main findings are summarized as follows: 1) The cavity size was considerably larger in the bolt thread section than in the bolt head, with the bolt thread section having a bimodal distribution of cavities greater than ~6 nm in diameter and less than ~3 nm in diameter. The bolt head only had the small-sized cavities. In addition, there was a denuded zone of large cavities near grain boundaries in the thread section of the bolt. 2) Radiation-induced precipitation in the BFB #4412 was highly complex, with the volume fraction, size, and number density of Ni/Si and Cu-rich precipitates depending strongly on the radiation temperature/dose. In many cases, co-precipitates of adjoined clusters were found with Ni/Si-rich precipitates sandwiched between Cu-rich clusters and Mo/Cr/P-rich clusters. 3) Solute segregation out of solution was highest for most solutes in the thread section of the bolt #4412 with the exception of Cu, which experienced more separation out of solution into Curich clusters in the bolt head section. This highlights the difference in the mechanisms for precipitation of Ni/Si clusters, which have the Ni 3 Si phase composition, and precipitation of Cu-rich clusters. 4) There appear to be multiple simultaneous influences that affect the microstructural variation along the length of the bolt that overcomes the ~2X difference in irradiation dose between the bolt head and the bolt thread. The irradiation temperature, thermal/fast neutron ratio variation, potential strain gradient, and exposure to PWR coolant water that each section of the bolt sees may have more influence on the microstructural evolution than the total irradiation dose. The bolt thread and shank, with higher temperature, higher relative fast neutron flux, higher strain, and exposure to coolant but lower dose, underwent more enhanced cavity formation, precipitation, and solute segregation than the bolt head section.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Surrogate models for plasma displacement and current in 3D perturbed magnetohydrodynamic equilibria in tokamaks

Abstract A numerical database of over one thousand perturbed three-dimensional (3D) equilibria has been generated, constructed based on the MARS-F (Liu et al 2000 Phys. Plasmas 7 3681) computed plasma response to the externally applied 3D field sources in multiple tokamak devices. Perturbed 3D equilibria with the n = 1–4 ( n is the toroidal mode number) toroidal periodicity are computed. Surrogate models are created for the computed perturbed 3D equilibrium utilizing model order reduction (MOR) techniques. In particular, retaining the first few eigenstates from the singular value decomposition (SVD) of the data is found to produce reasonably accurate MOR-representations for the key perturbed quantities, such as the perturbed parallel plasma current density and the plasma radial displacement. SVD also helps to reveal the core versus edge plasma response to the applied 3D field. For the database covering the conventional aspect ratio devices, about 95% of data can be represented by the truncated SVD-series with inclusion of only the first five eigenstates, achieving a relative error (RE) below 20%. The MOR-data is further utilized to train neural networks (NNs) to enable fast reconstruction of perturbed 3D equilibria, based on the two-dimensional equilibrium input and the 3D source field. The best NN-training is achieved for the MOR-data obtained with a global SVD approach, where the full set of samples used for NN training and testing are stretched and form a large matrix which is then subject to SVD. The fully connected multi-layer perceptron, with one or two hidden layers, can be trained to predict the MOR-data with less than 10% RE. As a key insight, a better strategy is to train separate NNs for the plasma response fields with different toroidal mode numbers. It is also better to apply MOR and to subsequently train NNs separately for conventional and low aspect ratio devices, due to enhanced toroidal coupling of Fourier spectra in the plasma response in the latter case.

3D equilibrium↗

Enhancing sensitivities to long-lived particles with high granularity calorimeters at the LHC

The search for long-lived particles (LLP) is an exciting physics opportunity in the upcoming runs of the Large Hadron Collider. In this paper, we focus on a new search strategy of using the High Granularity Calorimeter (HGCAL), part of the upgrade of the CMS detector, in such searches. In particular, we demonstrate that the high granularity of the calorimeter allows us to see “shower tracks” in the calorimeter, and can play a crucial role in identifying the signal and suppressing the background. We study the potential reach of the HGCAL using a signal model in which the Standard Model Higgs boson decays into a pair of LLPs, h → XX. After carefully estimating the Standard Model QCD and the misreconstructed fake-track backgrounds, we give the projected reach for both an existing vector boson fusion trigger and a novel displaced-track-based trigger. Our results show that the best reach for the Higgs decay branching ratio, BR(h → XX), in the vector boson fusion channel is about O(10 –4 ) with lifetime cτ X ~ 0.1–1 meters, while for the gluon gluon fusion channel it is about O(10 –5 – 10 –6 ) for similar lifetimes. For longer lifetime cτ X ~ 103 meters, our search could probe BR(h → XX) down to a few ×10 –4 (10 –2 ) in the gluon gluon fusion (vector boson fusion) channels, respectively. In comparison with these previous searches, our new search shows enhanced sensitivity in complementary regions of the LLP parameter space. We also comment on many improvements can be implemented to further improve our proposed search.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Mid-Century Net-Zero Scenario for the State of Wyoming and its Economic Impacts

Clean hydrogen has the potential to help achieve 10% economy-wide emissions reductions by 2050 relative to 2005, promote energy security and resilience, and develop a new economy in the United States. In 2030, the hydrogen economy could create about 100,000 new jobs to build new capital projects and clean hydrogen infrastructure. The Wyoming Energy Authority recently announced the state’s energy strategy, which establishes a goal of net-zero emissions by 2050. Under all likely scenarios, achieving a mid-century net-zero target will pose challenges and create opportunities for Wyoming’s energy sector. If executed properly, the transition could favorably affect the state’s economy overall in the long term. This research program examines the economic impact of fossil energy production in Wyoming and provides various predictions for future energy mixes to achieve net-zero emissions. Preliminary work suggests that Wyoming-based hydrogen production could have significant economic benefits and job creation implications for Wyoming. This study further assesses Wyoming’s opportunities to create hydrogen-based industries, assess economic impacts, identify knowledge gaps and research needs, and create a Hydrogen Center of Excellence to accelerate commercialization and deployment. This project helped to understand Wyoming's areas of focus for research and development and identified its areas of strength and potential challenges in creating a hydrogen ecosystem. As a result of this study, we estimate that for blue hydrogen produced from coal and gas resources, the overall cost reduction will be driven mainly by the carbon-sequestration tax credit and the improvement in carbon capture. Mature technologies, like SMR and PSA, will make limited contributions. They have no or limited reductions from an additional capacity deployment in future costs. We also understand the importance of continued support from public and private sectors for Carbon Capture and Storage (CCS)-related research, development, and demonstration programs at federal and state levels. The successful and efficient production of blue hydrogen requires a unique blend of energy resources, geology, regulation, law, and infrastructure. Wyoming has the distinction of meeting all these demands. The team also estimates that the availability and command of water resources accessible for hydrogen production are crucial for developing new projects. Water treatment, use, and disposal after treatment will also make projects possible. Primarily, this is relevant for hydrogen made using renewable energy. Wyoming has one of the best wind resource capacity in the nation. Harnessing this resource is challenging due to limited transmission line availability. Hydrogen could become one of the solutions to the stranded resource problem, primarily if the water availability challenge is addressed. Using produced oil & gas water could help to solve the problem. A commonly cited barrier to the expansion of hydrogen markets is the cost associated with constructing new pipelines, which typically require large amounts of capital to develop. Wyoming already possesses much of the export infrastructure needed to connect Wyoming’s hydrogen production with major markets across the West Coast, Pacific Northwest, Midwest, and Front Range regions of the United States, where a large portion of Wyoming’s natural gas is already transported. In addition to transportation by pipeline, rail transportation of hydrogen has also proven feasible. Wyoming uses its extensive railway system to transport large amounts of coal to its export partners across the United States. By using cryogenic or compressed-gas cars, Wyoming has the potential to add hydrogen to its existing network of railroad energy exports. The same technology may also be applied to hydrogen transport via trucks traveling interstate highways. Wyoming’s workforce is ready to meet the demands of clean hydrogen development. Many of the skills and training needed for hydrogen production are the same skills already possessed by Wyoming’s oil & gas and coal workforce. Many government and industry leaders expect clean hydrogen and other low-carbon energy projects to generate significant job growth and to recruit many already-trained oil & gas and coal workers whose jobs may be displaced. As energy companies seek to penetrate the markets for Wyoming hydrogen production, there is a natural mutual benefit to Wyoming’s workers and companies seeking to launch projects with the assistance of a trained workforce. Wyoming’s university and community college system have adopted several programs to ensure that highly qualified engineers and other technically skilled employees continue to graduate with skills to support the development of hydrogen and other innovative energy projects moving forward. Throughout the project, stakeholder outreach and education took many forms, including meetings with several major companies in the industry, collaborating with local government organizations, educational organizations, and national laboratories, tribal outreach and engagement, the sponsoring of several hydrogen-focused projects in many departments throughout the University of Wyoming, and developing a collaboration with international universities. The products of these collaborations consist of working relationships with several companies in the industry, educational institutions, national labs, and local government, as well as strong connections with individuals who will play an essential role in the success of the Hydrogen Energy Research Center.

08 HYDROGEN↗

Dependence of wind-farm-induced gravity waves and wind farm performance on non-dimensional atmospheric parameters and simulation configuration

This large-eddy simulation (LES) study examines how wind-farm-induced atmospheric gravity waves (AGWs) and wind farm performance depend on non-dimensional atmospheric parameters and simulation configuration. A hypothetical aligned wind farm of actuator disks is simulated under neutral surface conditions, with a stable capping inversion and a mildly stable free atmosphere, to assess the effects of stratification beyond the atmospheric boundary layer (ABL) on ABL flow. Simulation set-ups fully resolving AGWs are validated to minimize spurious wave generation and reflection from the domain boundaries. The validated set-up is then used to analyze AGW types and characteristics, as well as stratification impacts under conventionally neutral boundary layer (CNBL) conditions. These conditions are governed by four non-dimensional parameters: the Froude numbers of the free atmosphere and capping inversion (Fr, Fr i ), and the aspect ratios of the ABL and wind farm (H̃ i , S h ). Simulation configurations that fully resolve AGWs – capturing at least one wavelength both horizontally and vertically – yield the most realistic stratification effects on ABL flow, whereas partial or unresolved configurations produce non-physical, channel-like behavior. A coherent description of the AGW phenomena is provided, highlighting the central role of capping inversion displacement in linking ABL fluctuations with AGWs. Trapped waves are confined within the capping inversion, while interfacial and internal waves aloft are identified as the AGW types most relevant to wind farm performance. The wavy inversion, analogous to an interfacial wave, forms converging and diverging zones that drive power fluctuations across the farm. The interfacial wavelength, measured over the wind farm, corresponds to one diverging, one converging, and one mildly diverging zone. As the interfacial wavelength decreases with Fr i , multiple convergence–divergence zones develop under sub-critical conditions (Fr i <1.0), while for super-critical conditions (Fr i > 1.0), the wavelength approaches the farm length. Wave amplitude increases with decreasing H̃ i (i.e., shallower capping inversions). Wind farm performance is most sensitive to H̃ i : shallow boundary layers increase blockage and reduce efficiency, while deeper layers enhance efficiency. Increasing Fr and Fr i mitigates blockage, and increasing S h mainly improves wake recovery. Although local power fluctuations arise from AGWs, overall wind farm efficiency remains nearly constant with Fr and Fr i , improving primarily with larger H̃ i and S h .

17 WIND ENERGY↗

Application of Particle Accelerators to Mitigate Energy and Climate Change Problems Facing America

Reliable CO 2 -free baseload power is needed to address ever-increasing demands for electricity while minimizing adverse climate change. Diversified power supply provided by solar, wind, geothermal, and nuclear reactors can displace the use of fossil fuels. The United States (U.S.) is taking a new look at nuclear power as a source of electrical energy and the nuclear industry is proposing new approaches which may minimize capital costs. However, nuclear power comes with a variety of technical problems. Chief among those is managing the used fuel from nuclear reactors. No long-term, practicable solution to this problem is available. The lack of progress on a comprehensive waste management strategy restricts growth in the nuclear power industry and minimizes the role that nuclear energy may serve as part of a zero-carbon future (Bahr, 2021). According to the Nuclear Waste Policy Act of 1982, as amended, the U.S. Government has possession of the used reactor fuel and incurs large annual storage fees paid to utilities to store and safeguard the accumulated used fuel. In effect, short term on-site storage of nuclear waste is the current waste management plan. The amount of used reactor fuel in the U.S. is approximately 80,000 metric tons. While no geologic repository exists within the U.S., the potential site at Yucca Mountain, NV would accommodate 70,000 metric tons, which fails to meet current and future needs. Given the technical and political challenges associated with establishing a single geological storage site, it is necessary for the U.S. to implement technologies that improve the suitability of geological storage by reducing the volume and radiotoxicity of stored material. No extant technology meets this need. Accelerator driven waste burners have been proposed as a scalable method to process used nuclear fuel, however considerable technical challenges remain which impede commercialization. Innovations in design require investigation of novel materials, development of accurate models and simulations, and a comprehensive assessment of safety and performance. This proposal elaborates how LANL is uniquely positioned to make key contributions to this area of research.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Experimental study of three-dimensional CO 2 -water drainage and fracture-matrix interactions in fractured porous media

Estimation of CO 2 storage capacity in fractured porous reservoirs requires a better understanding of the CO 2 -water flow fundamentals in fracture-matrix systems. There are few core-flood experiments on three-dimensional CO 2 -water drainage in a fracture-matrix system, yet none have examined the impacts of the capillary continuity of fractures and fracture-matrix interactions. In this study, twelve drainage experiments were conducted in four fracture-matrix columns, each comprising a vertical stack of a cylindrical rock core, a filter paper serving as an analogue to a horizontal fracture, and a ceramic plate. Here, the core sample was surrounded by open space at the top and circumferential sides to model fractures, allowing for 3-D CO 2 -water drainage in the rock core and displaced water draining across the horizontal fracture. X-ray computed tomography was conducted to visualize the dynamic invasion/drainage processes in four rock core samples showing contrasts in anisotropy, permeability, and heterogeneity. Experimental results show (1) the equilibrium CO 2 saturations in the rock matrix vary from 0.10 to 0.60 at controlled capillary pressures up to 200 kPa, (2) the CO 2 saturations in the matrix increase with water saturation in the horizontal fracture resulting in better capillary continuity for water to drain across the fracture, and (3) the fracture water saturation can be enhanced by the non-uniform fracture capillary pressure and countercurrent flow of CO 2 and water across the fracture-matrix interface. In the case of high fracture water saturation, matrix CO 2 saturation largely depends on matrix anisotropy and heterogeneity. The core-scale experimental results contribute to understand the fracture-matrix interactions and CO 2 storage efficiency in fractured porous media.

54 ENVIRONMENTAL SCIENCES↗

Sea Surface Salinity Reemergence in an Updated North Atlantic In Situ Salinity Dataset

Monthly sea surface salinity (SSS) fields are constructed from observations, using objective mapping on a 1° x 1° grid in the Atlantic between 30°S and 50°N in the 1970-2016 period in an update of the dataset of Reverdin et al. Data coverage is heterogeneous, with increased density in 2002 when Argo floats become available, high density along Voluntary Observing Ship lines, and low density south of 10°S. Using lag correlation, the seasonal reemergence of SSS anomalies is investigated between 20° and 50°N in 5° x 5° boxes during the 1993-2016 period, both locally and remotely following the displacements of the deep mixed-layer waters estimated from virtual float trajectories derived from the daily AVISO surface geostrophic currents. Although SSS data are noisy, local SSS reemergence is detected in about half of the boxes, notably in the northeast and southeast, while little reemergence is seen in the central and part of the eastern subtropical gyre. In the same period, sea surface temperature (SST) reemergence is found only slightly more frequently, reflecting the short data duration. However, taking geostrophic advection into account degrades the detection of remote SSS and even SST reemergence. When anomalies are averaged over broader areas, robust evidence of a second and third SSS reemergence peak is found in the northeastern and southeastern parts of the domain, indicating long cold-season persistence of large-scale SSS anomalies, while only a first SST reemergence is seen. Finally, an oceanic reanalysis is used to confirm that the correlation analysis indeed reflects the reemergence of subsurface salinity anomalies.

54 ENVIRONMENTAL SCIENCES↗

Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential

The Holstein Hamiltonian describes itinerant electrons whose site density couples to local phonon degrees of freedom. In the single-site limit, at half filling, the electron-phonon coupling results in a double-well structure for the lattice displacement, favoring empty or doubly occupied sites. In two dimensions and on a bipartite lattice in d ≥ 2, intersite hopping causes these doubly occupied and empty sites to alternate in a charge density wave (CDW) pattern when the temperature is lowered. Because a discrete symmetry is broken, this occurs in a conventional second-order transition at finite T cdw . In this paper, we investigate the effect of changing the phonon potential energy to one with an intrinsic double-well structure even in the absence of electron-phonon coupling. While this aids in the initial process of pair formation, the implications for subsequent CDW order are nontrivial. One expects that, when the electron-phonon coupling is too strong, the double wells become deep and the polaron mass gets large, an effect which reduces T cdw . Here, we show here the existence of regions of parameter space where the double-well potential, while aiding local pair formation, does so in a way which also substantially enhances long-range CDW order.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Fast multiscale contrast independent preconditioners for linear elastic topology optimization problems

The goal of this work is to present a fast and viable approach for the numerical solution of the high-contrast state problems arising in topology optimization. The optimization process is iterative, and the gradients are obtained by an adjoint analysis, which requires the numerical solution of large high-contrast linear elastic problems with features spanning several length scales. The size of the discretized problems forces the utilization of iterative linear solvers with solution time dependent on the quality of the preconditioner. The lack of clear separation between the scales, as well as the high-contrast, imposes severe challenges on the standard preconditioning techniques. Thus, here we propose new methods for the high-contrast elasticity equation with performance independent of the high-contrast and the multi-scale structure of the elasticity problem. The solvers are based on two-levels domain decomposition techniques with a carefully constructed coarse level to deal with the high-contrast and multi-scale nature of the problem. The construction utilizes spectral equivalence between scalar diffusion and each displacement block of the elasticity problems and, in contrast to previous solutions proposed in the literature, is able to select the appropriate dimension of the coarse space automatically. The new methods inherit the advantages of domain decomposition techniques, such as easy parallelization and scalability. Finally, the presented numerical experiments demonstrate the excellent performance of the proposed methods.

97 MATHEMATICS AND COMPUTING↗