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At least 235 records · Page 13

The phase of the gravitational path integral

The gravitational path integral on S 2 × S 2 can be interpreted either as evaluating a contribution to the norm of the Hartle-Hawking wavefunction conditional on spatial S 1 × S 2 topology, or the pair creation rate of black holes in de Sitter. Both interpretations are distinguished at the quantum level. The former requires the path integral to be real and the latter to be imaginary. We develop a formalism to efficiently compute the phase of the gravitational path integral on Einstein spaces. We apply it to a broad class of spacetimes and in particular S 2 × S D−2 , finding it to be real and positive. We generalize some of the analysis to cases with charge and rotation.

AdS-CFT correspondence↗

A new shallow-water mud crab of the genus Hexapanopeus Rathbun, 1898 from Belize (Crustacea: Decapoda: Panopeidae)

A new species of panopeid crab from shallow coastal waters of Belize is formally described and named based upon comparative study of three small specimens obtained in the course of a regional biodiversity survey of decapod crustaceans. The herein designated holotype of Hexapanopeus klausruetzleri n. sp. is a specimen previously included in a comparative molecular phylogenetic analysis that showed it to be closely related to, but genetically distinct from, the western Atlantic species Hexapanopeus angustifrons (Benedict & Rathbun, 1891). Hexapanopeus klausruetzleri n. sp. differs from this widely reported warm-temperate species in both its smoother carapace and pereopod surfaces and its generally more lobiform anterolateral teeth. The unique male first gonopod of the new species also strongly supports its morphological separation from all known congeners and other superficially similar western Atlantic panopeids with which it might be confused. To date, mature females have not been found, and the limited available collections are restricted to the vicinity of Carrie Bow Cay and nearby waters. Fourteen additional species of small panopeid and pseudorhombilid crabs, similar to Hexapanopeus klausruetzleri n. sp. in size and general habitus, were taken in the course of our studies in Belize. Most have not been previously reported from these waters, and several warrant further study to confirm their identifications.

Zoology↗

Soil Sampling Results for Closure of a Portion of Solid Waste Management Unit #16

The U.S. Department of Energy/National Nuclear Security Administration (DOE/ NNSA) and National Technology & Engineering Solutions of Sandia, LLC (NTESS), the management and operating contractor for Sandia National Laboratories/California (SNL/CA), has prepared this soil sampling results report for closure of a portion of Solid Waste Management Unit (SWMU) #16. The entire network of SNL/CA sanitary sewer lines, including building laterals, was identified as SWMU #16 under a Resource Conservation and Recovery Act (RCRA) Facility Assessment conducted for SNL/CA in April 1991 (DOE 1992). Along with the previous SWMU #16 investigation results (SNL/CA 2019), the results of this investigation are intended to support closure decisions by the San Francisco Bay Regional Water Quality Control Board (RWQCB), as discussed below. SNL/CA personnel completed upgrading its sanitary sewer discharge network in 2019. These upgrades included installing new sections of underground lines and decommissioning certain sections of the old piping system by capping in place. To date, several sections of the sewer line have been abandoned-in-place by capping as new sewer lines were installed or flow was rerouted to other existing lines. To formally close these abandoned sections of the sewer line, the RWQCB required that SNL/CA personnel collect soil samples to be analyzed for contaminants potentially released from the sewer lines. SNL/CA personnel hired Weiss Associates (Weiss) of Emeryville, California to prepare a sampling and analysis plan, implement the sampling plan and report the results of the investigation under Purchase Order #2166257. The Sampling and Analysis Plan for Partial Closure of Solid Waste Management Unit #16 (SAP) was submitted to the RWQCB on August 14, 2020 by Weiss on behalf of SNL/CA. The RWQCB approved the SAP on September 30, 2020 after Weiss updated the method detection limit and reporting limits for total polychlorinated biphenyls (PCBs) and individual aroclors. Soil sampling was conducted in accordance with the SAP except that fewer locations were sampled due to site constraints, as discussed below. This report presents the results of the sampling effort and documents all associated field activities including borehole clearing, soil sample collection, storage and transportation to the analytical laboratories, borehole backfilling and surface restoration, and storage of investigation-derived waste (IDW) for future profiling and disposal by SNL/CA waste management personnel.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

2023 Annual Merit Review Vehicle Technologies Office Results Report

The 2023 U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy's (EERE) Vehicle Technologies Office (VTO) Annual Merit Review (AMR) was held June 12-15, 2023, as a hybrid event with in-person and virtual attendance. The review encompassed work done by VTO: 257 individual activities were reviewed by 266 reviewers. Exactly 991 individual review responses were received for the VTO technical reviews. The objective of the meeting was to review the accomplishments and plans for VTO over the previous 12 months, and provide an opportunity for industry, government, and academia to give inputs to DOE with a structured and formal methodology. The meeting also provided attendees with a virtual forum for interaction and technology information transfer.

33 ADVANCED PROPULSION SYSTEMS↗

Theory of electric, magnetic, and toroidal polarizations in crystalline solids with applications to hexagonal lonsdaleite and cubic diamond

Multipolar order in bulk crystalline solids is characterized by multipole densities-denoted as polarizations in this work-that cannot be cleanly defined using the concepts of classical electromagnetism. Here we use group theory to overcome this difficulty and present a systematic study of electric, magnetic, and toroidal multipolar order in crystalline solids. Based on our symmetry analysis, we identify five categories of polarized matter, each of which is characterized by distinct features in the electronic band structure. For example, Rashba spin splitting in electropolar bulk materials like wurtzite represents the electric dipolarization in these materials. We also develop a general formalism of indicators for individual multipole densities that provide a physical interpretation and quantification of multipolar order. Our work clarifies the relation between patterns of localized multipoles and macroscopic multipole densities they give rise to. To illustrate the general theory, we discuss its application to polarized variants of hexagonal lonsdaleite and cubic diamond structures. In conclusion, our work provides a general framework for classifying and expanding current understanding of multipolar order in complex materials.

36 MATERIALS SCIENCE↗

Is the Kok effect a respiratory phenomenon? Metabolic insight using 13 C labeling in Helianthus annuus leaves

The Kok effect is a well-known phenomenon in which the quantum yield of photosynthesis changes abruptly at low light. This effect has often been interpreted as a shift in leaf respiratory metabolism and thus used widely to measure day respiration. However, there is still no formal evidence that the Kok effect has a respiratory origin. Here, both gas exchange and isotopic labeling were carried out on sunflower leaves, using glucose that was 13 C-enriched at specific C-atom positions. Position-specific decarboxylation measurements and NMR analysis of metabolites were used to trace the fate of C-atoms in metabolism. Decarboxylation rates were significant at low light (including above the Kok break point) and increased with decreasing irradiance below 100 µmol photons m –2 s –1 . The variation in several metabolite pools such as malate, fumarate or citrate, and flux calculations suggest the involvement of several decarboxylating pathways in the Kok effect, including the malic enzyme. Our results show that day respiratory CO 2 evolution plays an important role in the Kok effect. Furthermore, the increase in the apparent quantum yield of photosynthesis below the Kok break point is also probably related to malate metabolism, which participates in maintaining photosynthetic linear electron flow.

54 ENVIRONMENTAL SCIENCES↗

Lawrence Livermore National Laboratory Experimental Test Site 300 (Site 300): Site 300 Roadway Improvements - Chem Mag Loop Soil Sampling and Analysis Plan (May 2023)

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Function Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed Roadway Improvements Project at the Chem Mag Loop (project). The purpose of the SAP is to describe the procedures for collection and analysis of environmental samples and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on preliminary design information provided to EFA by PMO.

54 ENVIRONMENTAL SCIENCES↗

Lawrence Livermore National Laboratory Experimental Test Site 300 (Site 300): Site 300 Roadway Improvements - 836 Complex Soil Sampling and Analysis Plan (May 2023)

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Functional Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed Roadway Improvements Project at the 836 Complex (project). The purpose of the SAP is to describe the procedures for collection and analysis of environmental samples and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on preliminary design information provided by PMO.

54 ENVIRONMENTAL SCIENCES↗

Lawrence Livermore National Laboratory Experimental Test Site, Site 300: S300 Roadway Improvements - 854 Complex Soil Sampling and Analysis Plan (June 2023)

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Functional Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed Roadway Improvements Project at the Building 854 Complex (project). The purpose of the SAP was to identify chemicals of concern, describe the procedures for collection and analysis of environmental samples, and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on preliminary design information provided by PMO.

54 ENVIRONMENTAL SCIENCES↗

Lawrence Livermore National Laboratory Livermore Site: 4200 Block Development Project Soil Sampling and Analysis Plan (June 2023)

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Function Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed Maintenance Shop Facility in the 4200 Block (project). The purpose of the SAP is to describe the procedures for collection and analysis of environmental samples and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on design information provided by PMO.

54 ENVIRONMENTAL SCIENCES↗

Site 300 Roadway Improvements - 834 Complex Soil Sampling and Analysis Plan

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Functional Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed Roadway Improvements Project at the 834 Complex (project) (Figure 1). The purpose of the SAP is to describe the procedures for collection and analysis of environmental samples and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on preliminary design information provided by PMO.

54 ENVIRONMENTAL SCIENCES↗

Building 871 and 874 Retaining Wall Project Soil Sampling and Analysis Plan

This Soil Sampling and Analysis Plan (SAP) was prepared by the Environmental Functional Area (EFA)/Technical Services Department (TSD) of the Environment, Safety & Health (ES&H) Directorate for the Project Management Office (PMO) for the proposed retaining wall near Buildings 871 and 874 (project) (Figure 1). The purpose of the SAP is to describe the procedures for collection and analysis of environmental samples and evaluation of analytical data (chemical and radiological) to determine management options of excavated soil during project construction. This SAP follows criteria established in Lawrence Livermore National Laboratory’s (LLNL) Soils Screening and Management Plan (SSMP) (LLNL 2022), which was formalized in accordance with U.S. Environmental Protection Agency (EPA) guidance for developing Data Quality Objectives for environmental data (EPA 2006) and the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM) guidance (U.S. NRC, U.S. EPA, U.S. DOE, and U.S. DOD 2000). The scope of this SAP is based on preliminary design information provided by PMO.

54 ENVIRONMENTAL SCIENCES↗

District Geothermal Heating + Cooling Deployment in a CT Environmental Justice Community

The report marks the team’s completion of all required tasks and milestones. Work completed for Task 1 (Technical and Economic Feasibility Assessment & Procurement Drafting) included development of analysis and design model; completion of technical, economic, and environmental assessments; and technical outreach and coalition design. Components for Task 2 (Outreach & Community Engagement) involved broad outreach and community-engagement efforts (including stakeholder meetings and a webinar as well as development of a formal engagement plan) and development of a web page and a case study. For Task 3 (Workforce Transition, Development, & Training Plan), the team undertook a formal statewide geothermal workforce needs assessment, developed corresponding recommendations for both the state as a whole and the Wallingford project, and held several workshops. For Task 4 (Project Management & Data Sharing), the team drafted a data-sharing plan.

15 GEOTHERMAL ENERGY↗

Thermal Stability of a Eutectic Mixture of Bis(2,2-dinitropropyl) Acetal and Formal: Part C. Kinetic Compensation Effect

Here, the aging behavior of a eutectic mixture of bis(2,2-dinitropropyl) acetal and formal [called NP here] has been studied in various atmospheres [dry (air or nitrogen) versus wet] at temperatures 70 °C and below. The properties of aged samples were analyzed using Fourier transform infrared (FTIR) spectroscopy, Karl Fischer (KF) titration, liquid chromatography/mass spectrometry (LC/MS), and thermogravimetric analysis (TGA) over a period of three years. The results indicate that at aging temperatures up to 55 °C, the initial rates of water production from nitrous acid (HONO) formation and decomposition into the water, NO, and NO 2 follows a 1st order rate law and the rate constants follow an Arrhenius law as a function of temperature. The activation energies and pre-factors for water and volatiles production yield a single linear kinetic compensation plot, suggesting a common degradation pathway between NP and the various combinations of its constituents. Within a narrow temperature range, around 55 °C, a trace amount of water in NP stabilizes its properties by preventing HONO elimination. When the aging temperature is substantially higher than 55 °C, the nature of the degradation mechanism changes. It is suspected that the degradation products of NO x , water, and HNO 3 serve as catalysts to auto-catalyze (kinetics beyond the 1st order) and further degrade NP. The effect of headspace volume on this auto-catalytic process will be discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Langevin and Fokker-Planck analyses for diffusion-mediated passing of circular and discorectangular species in two-dimensional channels

The propensity for pairs of diffusing species to pass each other within narrow channels or pores is of basic interest as a first-passage-type problem. It is also of relevance for solution-phase transport in nanoporous materials, and in particular for catalytic conversion reactions where high yield requires that product species can efficiently pass reactant species to exit the pores. Here, we analyze a two-dimensional model with nonoverlapping circular and discorectangular species confined to a rectangular channel, and where passing is mediated by Brownian dynamics in an implicit solvent. For narrower channels where passing is still possible, the discorectangle must align with the channel to pass the circular species. Behavior of the passing propensity, 𝑃, can be assessed by strongly damped Langevin simulations, or within an equivalent Fokker-Planck equation (FPE) formalism. The latter corresponds to a diffusion problem in a “higher-dimensional channel” with a constriction. We assess the variation of the passing propensity, 𝑃, for a broad range of channel width including its scaling just above the threshold where passing is sterically blocked. Analysis of 𝑃 versus the rotational diffusion coefficient 𝐷 𝑟 of the discorectangle reveals a significant decrease in 𝑃 for lower 𝐷 𝑟 for moderate channel width. This prompts a direct analysis of the regime where 𝐷 𝑟 → 0 , for which the FPE can be reduced to a three-dimensional diffusion problem, precise analysis of which is facilitated by adaptive-mesh finite element methods. The dependence of 𝑃 on the aspect ratio of the discorectangle is also assessed.

Rahman, Md Khaledur [Ames Laboratory (AMES), Ames,↗

Statistical analysis of spatial distribution of pores in metal additive manufacturing

We report mechanical properties of additively manufactured parts are sensitive to the presence of pores form during the manufacturing process. The impact of pores on the mechanical performance has been investigated extensively with respect to different parameters, such as pore volume fraction, shape, and size. However, statistical investigations focusing on the relationships between the spatial distribution of pores and process parameters; and consequently, the performance of the manufactured parts are scattered and limited. Also, these sparse investigations usually suffer from an ambiguous definition of terminologies. For instance, the required criteria to consider a point pattern as complete spatial randomness (CSR) are generally not clarified. Moreover, no numerical formalism is yet developed to show how much the observed spatial results are statistically significant. To address these shortcomings, the statistical definition of CSR in a point pattern and the procedure to quantitatively determine the deviation of a pattern from CSR were discussed. The explained statistical approach was used to investigate the effect of scanning speed parameter on the spatial distribution of gas pores in laser powder bed fusion manufactured stainless steel parts. Furthermore, and to highlight the impact of the spatial distribution of pores on mechanical properties, fatigue performances of parts with clustered and randomly distributed pores were simulated by finite element analysis. It is shown that by reducing the scanning speed, the spatial distribution of gas pores deviated more from CSR, and correspondingly fatigue performance deteriorated.

36 MATERIALS SCIENCE↗

Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis

Catalysis from single active sites is analyzed using methods developed from single molecule kinetics. Using a stochastic Markov state description, the observable properties of general catalytic networks of reactions are expressed using an eigenvalue decomposition of the transition matrix for the Markov process. By the use of a sensitivity analysis, the necessary eigenvalues and eigenvectors are related to the energies of controlling barriers and wells located along the reaction routes. A generalization of the energetic span theory allows the eigenvalues to be computed from several activation energies corresponding to distinct barrier-well pairings. The formalism is demonstrated accurately for model problems for a physically realistic mechanism for an alkene hydrogenation reaction on a single atom catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Defect-induced phonon-resonant scattering and its influence on thermal transport of irradiated thorium-dioxide

Thermal transport in proton irradiated thorium-dioxide (ThO 2 ) is investigated. Using a combination of experiments and first-principles computational framework, the role of lattice defects on thermal conductivity is analyzed. A resonant-phonon scattering mechanism beyond the traditionally considered Rayleigh scattering is found to significantly influence low-temperature thermal transport in the presence of irradiation-induced point defects. The existence of localized phonon modes associated with irradiation-induced defects is suggested by the inability of the first-principles based thermal conductivity model—which considers only three-phonon interactions and phonon-defects scattering using the Tamura formalism—to predict the experimental results, unless a resonant scattering mechanism is included. The emergence of additional peaks in the Raman spectra in the proximity of phonon-resonant frequency provides further evidence for the existence of localized modes. Coupled with a microstructure evolution model, this analysis enables more accurate analysis for contrasting the contributions of different phonon scattering mechanisms across all irradiation doses and temperatures.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗