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DOE OSTI2024

Lieb-Schultz-Mattis anomalies as obstructions to gauging (non-on-site) symmetries

We study ’t Hooft anomalies of global symmetries in 1+1d lattice Hamiltonian systems. We consider anomalies in internal and lattice translation symmetries. We derive a microscopic formula for the “anomaly cocycle” using topological defects implementing twisted boundary conditions. The anomaly takes value in the cohomology group H^3(G,U(1)) × H^2(G,U(1)) H 3 ( G , U ( 1 ) ) × H 2 ( G , U ( 1 ) ) . The first factor captures the anomaly in the internal symmetry group G, and the second factor corresponds to a generalized Lieb-Schultz-Mattis anomaly involving G and lattice translation. We present a systematic procedure to gauge internal symmetries (that may not act on-site) on the lattice. We show that the anomaly cocycle is the obstruction to gauging the internal symmetry while preserving the lattice translation symmetry. As an application, we construct anomaly-free chiral lattice gauge theories. We demonstrate a one-to-one correspondence between (locality-preserving) symmetry operators and topological defects, which is essential for the results we prove. We also discuss the generalization to fermionic theories. Finally, we construct non-invertible lattice translation symmetries by gauging internal symmetries with a Lieb-Schultz-Mattis anomaly.

Physics↗

DOE OSTI2024

Candidate phases for SU(2) adjoint QCD$_4$ with two flavors from $\mathcal{N}=2$ supersymmetric Yang-Mills theory

We study four-dimensional adjoint QCD with gauge group SU(2) and two Weyl fermion flavors, which has an SU(2) R chiral symmetry. The infrared behavior of this theory is not firmly established. We explore candidate infrared phases by embedding adjoint QCD into N = 2 supersymmetric Yang-Mills theory deformed by a supersymmetry-breaking scalar mass M that preserves all global symmetries and 't Hooft anomalies. This includes 't Hooft anomalies that are only visible when the theory is placed on manifolds that do not admit a spin structure. The consistency of this procedure is guaranteed by a nonabelian spin-charge relation involving the SU(2) R symmetry that is familiar from topologically twisted N = 2 theories. Since every vacuum on the Coulomb branch of the N = 2 theory necessarily matches all 't Hooft anomalies, we can generate candidate phases for adjoint QCD by deforming the theories in these vacua while preserving all symmetries and 't Hooft anomalies. One such deformation is the supersymmetry-breaking scalar mass M itself, which can be reliably analyzed when M is small. In this regime it gives rise to an exotic Coulomb phase without chiral symmetry breaking. By contrast, the theory near the monopole and dyon points can be deformed to realize a candidate phase with monopole-induced confinement and chiral symmetry breaking. The low-energy theory consists of two copies of a CP 1 sigma model, which we analyze in detail. Certain topological couplings that are likely to be present in this CP 1 model turn the confining solitonic string of the model into a topological insulator. We also examine the behavior of various candidate phases under fermion mass deformations. We speculate on the possible large-M behavior of the deformed N = 2 theory and conjecture that the CP 1 phase eventually becomes dominant.

Córdova, Clay↗

DOE OSTI2020

Dimer description of the SU(4) antiferromagnet on the triangular lattice

In systems with many local degrees of freedom, high-symmetry points in the phase diagram can provide an important starting point for the investigation of their properties throughout the phase diagram. In systems with both spin and orbital (or valley) degrees of freedom such a starting point gives rise to SU(4)-symmetric models. Here we consider SU(4)-symmetric "spin" models, corresponding to Mott phases at half-filling, i.e. the six-dimensional representation of SU(4). This may be relevant to twisted multilayer graphene. In particular, we study the SU(4) antiferromagnetic "Heisenberg" model on the triangular lattice, both in the classical limit and in the quantum regime. Carrying out a numerical study using the density matrix renormalization group (DMRG), we argue that the ground state is non-magnetic. We then derive a dimer expansion of the SU(4) spin model. An exact diagonalization (ED) study of the effective dimer model suggests that the ground state breaks translation invariance, forming a valence bond solid (VBS) with a 12-site unit cell. Finally, we consider the effect of SU(4)-symmetry breaking interactions due to Hund's coupling, and argue for a possible phase transition between a VBS and a magnetically ordered state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Transverse Single-Spin Asymmetries of Midrapidity Direct Photons and Neutral Mesons at PHENIX

Results are presented for the transverse single-spin asymmetries of direct photons, neutral pions, and eta mesons for |\eta|<0.35 | η | < 0.35 from p^\uparrow + p p ↑ + p collisions with \sqrt{s} = 200 s = 200 GeV at PHENIX. As hadrons, \pi^0 π 0 and \eta η mesons are sensitive to both initial- and final-state effects and at midrapidity probe the dynamics of gluons along with a mix of quark flavors. Because direct photon production does not include hadronization, the direct photon TSSA is only sensitive to initial-state effects and at midrapidity provides a clean probe of the gluon dynamics in transversely polarized protons. All three of these results will help constrain the collinear twist-3 trigluon correlation function as well as the gluon Sivers function, improving our knowledge of spin-dependent gluon dynamics in QCD.

Lewis, Nicole↗

DOE OSTI2022

Measurement of Transverse Spin Dependent Azimuthal Correlations of Charged Pion(s) in $p^{\uparrow} p$ Collisions at $\sqrt s = 200$ GeV at STAR

At the leading twist, the transversity distribution function, h^{q}_{1}(x) h 1 q ( x ) , where x x is the longitudinal momentum fraction of the proton carried by quark q q , encodes the transverse spin structure of the nucleon. Extraction of it is difficult because of its chiral-odd nature. In transversely polarized proton-proton collisions ( p^\uparrow p p ↑ p ), h_{1}^{q}(x) h 1 q ( x ) can be coupled with another chiral-odd partner, a spin-dependent fragmentation function (FF). The resulting asymmetries in hadron(s) azimuthal correlations directly probe h_{1}^{q}(x) h 1 q ( x ) . We report the measurement of correlation asymmetries for charged pion(s) in p^\uparrow p p ↑ p , through the Collins and the Interference FF channel.

Pokhrel, Babu↗

DOE OSTI2022

The photon content of the proton in the CT18 global analysis

Recently, two photon PDF sets based on implementations of the LUX ansatz into the CT18 global analysis were released. In CT18lux, the photon PDF is calculated directly using the LUX master formula for all scales, \mu μ . In an alternative realization, CT18qed, the photon PDF is initialized at the starting scale, \mu_0 μ 0 , using the LUX formulation and evolved to higher scales \mu(>\mu_0) μ ( > μ 0 ) with a combined QED+QCD kernel at \mathcal{O}(\alpha),~\mathcal{O}(\alpha\alpha_s) 𝒪 ( α ) , 𝒪 ( α α s ) and \mathcal{O}(\alpha^2) 𝒪 ( α 2 ) . In the small- x x region, the photon PDF uncertainty is mainly induced by the quark and gluon PDFs, through the perturbative DIS structure functions. In comparison, the large- x x photon uncertainty comes from various low-energy, nonperturbative contributions, including variations of the inelastic structure functions in the resonance and continuum regions, higher-twist and target-mass corrections, and elastic electromagnetic form factors of the proton. We take the production of doubly-charged Higgs pairs, (H^{++}H^{--}) ( H + + H − − ) , as an example of scenarios beyond the Standard Model to illustrate the phenomenological implications of these photon PDFs at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Multidimensional, high precision beam spin asymmetry measurements of semi-inclusive pion production off the proton with CLAS12

High precision measurements of the polarized electron beam-spin asymmetry in SIDIS from the proton have been performed using a 10.6 GeV incident electron beam and the CLAS12 spectrometer at Jefferson Lab. The proceeding reports a multidimensional study of the structure function ratio F^{sin\phi}_{LU}/F_{UU} F L U s i n ϕ / F U U extracted from single pion ( \pi^{+} π + , \pi^{-} π − , \pi^{0} π 0 ) SIDIS data over a large kinematic range in z z , x_{B} x B , P_{T} P T and virtualities Q^{2} Q 2 ranging from 1~GeV ^2 2 up to 7~GeV ^2 2 . F^{sin\phi}_{LU} F L U s i n ϕ is a twist-3 quantity that can reveal novel properties of quark-gluon correlations within the nucleon.

Diehl, Stefan↗

DOE OSTI2022

Multidimensional partial wave analysis of SIDIS dihadron beam spin asymmetries at CLAS12

Dihadron beam spin asymmetries provide a wide range of insights into nucleon structure and hadronization. Recent measurements at CLAS12 provide the first empirical evidence of nonzero G_1^\perp G 1 ⊥ , the parton helicity-dependent dihadron fragmentation function (DiFF) encoding spin-momentum correlations in hadronization. These measurements also allow for a point-by-point extraction of the subleading-twist PDF e(x) e ( x ) in a collinear framework. We observe different behavior of the asymmetries in different invariant mass regions, motivating a fully multidimensional study. The DiFFs also expand in terms of partial waves, each corresponding to the interference of dihadrons of particular polarizations. Altogether a fully multidimensional partial wave analysis is needed, and this presentation will summarize the efforts and results obtained thus far.

Dilks, Christopher↗

DOE OSTI2020

Modeling Catalyzed Growth of Single-Wall Carbon Nanotubes (Final Report)

Single-walled carbon nanotubes (SWCNTs) are among the most promising nanostructures because of their special and unusual physico-chemical properties that make them strong candidates for a variety of applications. Since their discovery, chemical vapor deposition (CVD) methods have become the preferred synthesis method. CVD uses a carbon-containing precursor species, which is decomposed over a catalyst yielding C atoms that eventually evolve in carbon nanostructures. CVD temperatures are in the order of 1000K or lower, and pressures in the range of 1-5 atm, although some processes use higher pressures. Depending on the nature of the catalyst, and on the conditions of pressure, temperature, and presence of other inert compounds, the resultant nanostructures may include nanofibers, nano-onions, multiple-, or single-wall carbon nanotubes, among others. When the CVD synthesis process is appropriately tuned, however, it is possible to obtain only SWCNTs, which are geometrically characterized by their diameter and by their chiral angle. The chiral indexes (n,m) determine the degree of helical twist of the graphite lattice along the nanotube axis, where the term chirality is derived from the left and right-handed helicity of the tubes defined by their chiral indexes (n,m) and (m,n) respectively. The main goal of this research is to build fundamental understanding that will help elucidating the nature and structure of the actual catalyst in a combined catalyst/support system, which we claim is essential especially when the catalyst is of nanodimensions. Given that we are considerably advanced in the understanding of selective single-walled carbon nanotube catalyst synthesis, we take this process as a case study. Thus, we focus on the understanding of the selective growth of SWCNTs on supported nanocatalysts in systems where the catalyst synthesis takes place in the same reactor preceding the nanotube synthesis. Once we understand what type of catalyst structure would be necessary for this specific growth, we will try to elucidate the catalytic synthesis process that leads to such catalytic structure. Thus, our aim of controlling nanostructure synthesis may start to be delineated.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Hydrogen Transport in a Model 9979 Shipping Package with Inner Convenience Cans

Radiolytic hydrogen production and accumulation inside containment packages is a concern at any facility responsible for their packaging, storage, transportation, and/or disposal. When hydrogen gas accumulates to concentrations above the Lower Flammability Limit (LFL) which is 4% or 40,000 ppm in air, the possibility of a deflagration or explosion increases. This concern persists over the course of the package lifetime which is unlimited when disposed of by burial or in permanent repositories. Here, we report on a numerical model used to predict the concentration of hydrogen within each layer of a Model 9979 package containing a convenience can assembly. Simulations show the hydrogen concentration to always be highest in the inner convenience can containing the radioactive source. When the radioactive source is within the Los Alamos National Laboratory (LANL) Packaging Limits, the hydrogen concentration is shown to remain well below the LFL at all times including packaging, storage, transportation, and disposal. A hydrogen transport model is presented for a Model 9979 package system containing a nested arrangement of convenience cans, which are tin oxide coated steel cans of various sizes with a slip-lid assembly. The inner convenience can contains the radioactive source material along with an unknown quantity of incidental water acquired from humid air or processing. While visible organic materials such as paper and plastics were purposely excluded from the inner can, it is not possible to claim the wastes are entirely organic free. The inner convenience can is tape sealed and placed into a plastic bag which is horsetail closed (i.e., twisted and taped). The bagged can is placed into an outer convenience can that is also tape sealed. The can assembly is then placed into the 30 gallon drum and subsequently placed inside the 55 gallon drum in the 9979 package. Here we assume hydrogen gas is produced in the inner convenience can from alpha radiolysis of water at a rate dependent on the quantity of uranium isotopes and water present. The hydrogen transport model was used to calculate hydrogen accumulations within the package’s five layers at different times and conditions. These simulations serve two purposes; (i) to build confidence in the model by comparing predicted values to measured values, and (ii) to check the steady state hydrogen concentrations that are approached at long times in the package’s lifetime. Model simulations were compared to gas samples taken from the 30 gallon drum after storage at LANL’s Chemistry and Metallurgy Research (CMR) building for around 500 days. Hydrogen concentration calculations over much longer periods (i.e., more than 270 years) included extreme storage durations, transportation at extreme cold temperatures, and disposal of packages assuming different average temperatures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

University of Missouri Research Reactor LEU Fuel Element Flow Test Conceptual Design—Hydraulic Reactor Design Parameters

The University of Missouri-Columbia Research Reactor (MURR®) is one of five U.S. high performance research reactors (USHPRR), plus one critical facility, that actively collaborates with the National Nuclear Security Administration (NNSA) Material Management and Minimization(M 3 ) Reactor Conversion Program to convert to the use of low-enriched uranium (LEU, < 20 wt.% U-235) fuel. A new type of LEU fuel with very high density, based on an alloy of uranium and 10 weight percent molybdenum (U-10Mo), is expected to allow the conversion to LEU of USHPRR that have been found unable to be converted with previously qualified uranium silicide-aluminum (U 3 Si 2 -Al) dispersion fuel. MURR has been working with the USHPRR Reactor Conversion (RC) Pillar at Argonne National Laboratory to perform fuel element design and fuel cycle performance analyses, steady-state thermal hydraulics safety analyses, and accident safety analyses in preparation for the conversion of MURR and to support a preliminary Safety Analysis Report (SAR) for conversion to LEU fuel. This work is performed in preparation for the flow test campaign that will be conducted by the USHPRR RC Pillar. The purpose of the hydraulic performance evaluation of the MURR LEU fuel element designed by the RC Pillar is to test a prototypic commercially fabricated LEU fuel element to determine whether any failure modes are observed or predicted in the fuel element, including significant deformations such as plate bending, twisting, or plate detachment from the side plate under selected safety-basis limits for reactor hydraulic conditions. To support the design of the flow test for MURR LEU fuel element hydraulic performance evaluation, design parameters for hydraulic testing of the LEU fuel element are laid out in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2023

Future Directions in Topological States of Matter: Beyond the Single Particle Picture

Correlations between electrons have brought about some of the most celebrated discoveries in quantum materials research, including all forms of superconductivity, the fractional quantum hall effect, and giant magnetoresistance. A more recent development has been the discovery that the topological aspects of electrons are important, producing new states of matter like topological insulators, and Dirac and Weyl fermions. This conference will bring together experts from both the "correlated" and "topological" communities to explore future directions that merge both fields, including emergent physics in the flat bands of twisted bilayer systems, and new routes to quantum computation using topological superconductors and spin liquids. We hope to come away with new research questions, and new material synthesis directions, that will strongly overlap with the Basic Energy Sciences mission to support the fundamental experimental and theoretical quantum materials research.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Batteries Included: Top 10 Findings from Berkeley Lab Research on the Growth of Hybrid Power Plants in the United States

One of the most important electric power system trends of the 2010s was the rapid deployment of wind turbines and photovoltaic arrays, but a twist for the 2020s may be the rapid deployment of ‘hybrid’ generation resources. Hybrid power plants typically combine solar or wind (or other energy sources) with co-located storage. While hybridization helps to ease the challenge of balancing variable supply and demand, its relative novelty means that research is needed to facilitate integration and promote innovation. Combining the characteristics of multiple energy, storage, and conversion technologies poses complex questions for grid operations and economics. Project developers, system operators, planners, and regulators would benefit from better data, methods, and tools to estimate the costs, values, and system impacts of hybrid projects. This publication showcases some of Berkeley Lab’s robust research program intended to support private- and public-sector decision-making about hybrid plants in the United States. Our short briefing summarizes articles that we published between 2020 and 2022, links to the in-depth reports, and provides contact details for further engagement on the specific research topics: Growth: Developer interest in hybrid power plants is strong and growing Price vs. Value: PV+storage hybrids have low PPA prices and high value in some regions Market Drivers: Solar hybridization is driven by tax credits and other benefits Configuration Choices: Market prices have incentivized shorter duration batteries with PV Capacity Value: The capacity contribution of a hybrid is less than the sum of its parts Ancillary Services: AS markets are a valuable yet fleeting option for hybrids Market Participation: Hybrids can more flexibly engage with electricity markets Operations: The power system value of hybrids depends on how they are operated Distributed Hybrids: Growth of customer-sited PV+storage hybrids offers new opportunities Future Research: Where next? Priority areas for hybrid power research.

25 ENERGY STORAGE↗

DOE OSTI2022

Operation Plumbbob

On June 24, 1957, a thirty-seven kiloton nuclear device, codenamed Priscilla, exploded 700 feet over the Nevada Test Site’s Frenchman dry lake. Below, on the lakebed, was a bank vault designed by the Mosler Safe Company for one of several Federal Civil Defense Administration experiments. The vault was constructed “to evaluate the effectiveness of a reinforced-concrete vault and steel vault door in providing protection against the effects of a nuclear detonation.” Blast damage to the exterior was largely confined to the side walls, whose concrete was stripped off; its steel reinforcing rods bent and twisted. The vault door was essentially undamaged and was opened with minimal difficulty. The vault contents - sandbags, movie camera, and thermometers - were only slightly disturbed. The camera operated as planned, running 40 ft of film. The film, however, was completely fogged. Two clinical type thermometers registered 88°F, and a 24-hr stylus American temperature recorder registered a constant 88°F. Priscilla was the fifth of twenty-nine tests conducted in 1957 as part of Operation Plumbbob, whose stated purpose was to conduct tests “aimed to attain new knowledge important to the defense of the United States and the Free World.” Individual events included “proof tests of air defense and antisubmarine warheads to be stockpiled, development tests of bomb components and mockups, and design tests of smaller and lighter warheads.” One test, John, was that of an air-to-air missile detonated 18,500 feet over the test site.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

FY2022 Progress Report for Advanced Re-fabrication/Re-instrumentation Capability Development

In support of performing follow-on irradiation experiments with previously irradiated materials, the Halden Reactor Project developed unique and state of the art capabilities to refabricate and re-instrument previously irradiated materials. Such materials were used in in-pile tests at the Halden reactor, and out-of-pile tests for example using furnaces as a heat source. The decision to close the Halden Reactor Project results in the loss of this refabrication and re-instrumentation capability. As a result, the United States (U.S.) Department of Energy (DOE) has determined to develop refabrication and re-instrumentation capability at the unique shielded facilities at Idaho National Laboratory (INL). The development of refabrication capability has been completed and demonstrated. This report focuses on the complementary aspects of reinstrumentation and the progress to-date. Halden spent nearly 30 years developing both refabrication and re-instrumentation. Collaboration with Halden is allowing Idaho National Laboratory (INL) to develop this capability much more rapidly. In FY-21 the results include development of the capability to drill annular center holes in ceramic UO2 fuel pellets, development of fuel rod end caps with feedthroughs for centerline instrumentation inside the rodlet, The procurement of both fuel drilling and welding demonstration equipment from Halden, evaluation of surface thermocouple attachments to support better understanding of temperature measurement uncertainties, and finally, the conceptual design of a new shielded enclosure where advanced refabrication and re-instrumentation equipment can be housed. In FY-22, the results include; Completing set up of the drilling and welding modules procured from Halden, and early experimental trials using that equipment.; Completing set up of an out-of-cell circumferential weld system to allow for further weld development to take place and support fabrication of fuel for fresh fuel experiments.; Evaluation of the Hot Fuel Examination Facility (HFEF) infrastructure to support future installation of advanced re-fabrication/re-instrumentation equipment, specifically related to necessary infrastructure for cryo-drilling.; Developments in dry-drilling alternative. Including experimental studies showing cordierite is the most suitable surrogate for UO 2 for performing drilling studies. That drilling performance is enhanced when a fuel-clad bonding condition is simulated.; Conceptual design completed for attaching surface thermocouples to irradiated fuel in support of TWIST capsule experiments. The authors would like to thank the numerous colleagues at INL and Halden who provided support in accomplishing this work. Their support both material and intellectual is invaluable in advancing the state of the art and establishing the capabilities for refabrication and re-instrumentation at INL.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Science & Technology Review: The Road to Exascale Computing

At Lawrence Livermore National Laboratory, we focus on science and technology research to ensure our nation’s security. We also apply that expertise to solve other important national problems in energy, bioscience, and the environment. Science & Technology Review is published eight times a year to communicate, to a broad audience, the Laboratory’s scientific and technological accomplishments in fulfilling its primary missions. The publication’s goal is to help readers understand these accomplishments and appreciate their value to the individual citizen, the nation, and the world. The Department of Energy’s Exascale Computing Project (ECP) and Lawrence Livermore’s RADIUSS (Rapid Application Development via an Institutional Universal Software Stack) initiative benefit from strategically developed software tools. The front cover shows a simulation of advection under twisting rotation that uses high-order finite elements from Livermore’s Modular Finite Element Methods (MFEM) software library and GLVis visualization tool. On the back cover, the logo (also created with GLVis) for the MFEM project illustrates the curved mesh and sub-element resolution used in high-order simulations. MFEM and GLVis are key components of the ECP’s co-design Center for Efficient Exascale Discretizations (CEED) and RADIUSS. MFEM is also part of ECP’s Extreme-Scale Scientific Software Development Kit (xSDK).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Molecular dynamics simulations of fission gas xenon (Xe) diffusion at UO 2 grain-boundaries (Rev.1)

The diffusivity of fission gas xenon (Xe) at UO 2 grain-boundaries is one of the most important parameters in mechanistic modeling of fission gas diffusion in UO 2 based nuclear fuels. In this report, we use molecular dynamics simulations to investigate the Xe diffusivity in UO 2 grain-boundaries, employing the many-body potential developed by Cooper, Rushton and Grimes for UO 2 . Three different types of grain-boundaries are investigated, twist Σ5, tilt Σ5, and a random grain-boundary. Diffusion activation energies in the range of 0.39 – 1.46 eV are obtained for the Xe diffusivity. Comparison to results for the uranium vacancy diffusivity from MD simulations employing the same methodology suggests a weak to moderate attractive Xe-uranium vacancy binding energy depending on the grain-boundary type.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Inclusive jets and dynamical mass effects

In this talk we will outline the connections among the inclusive jet correlator, the single-hadron fragmentation correlator, and the quark propagator, which open the way to studies of fundamental mechanisms in QCD -such as the dynamical generation of mass- by looking at the fully inclusive hadronization of a quark. In particular, we will focus on observables in semi-inclusive DIS and e+e? annihilation at the twist three level.

Accardi, Alberto↗