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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A realistic theory of E6 unification through novel intermediate symmetries

Abstract We propose a non-supersymmetric E 6 GUT with the scalar sector consisting of650⨁351′ ⨁27. Making use of the first representation for the initial symmetry breaking to an intermediate stage, and the latter two representations for second-stage breaking to the Standard Model and a realistic Yukawa sector, this theory represents the minimal E 6 GUT that proceeds through one of the intermediate stages that are novel compared to SU(5) or SO(10) GUT: trinification SU(3) C × SU(3) L × SU(3) R , SU(6) × SU(2) and flipped SO(10) × U(1). We analyze these possibilities under the choice of vacuum that preserves a ℤ 2 “spinorial parity”, which disentangles the chiral and vector-like fermions of E 6 and provides a dark matter candidate in the form of a (scalar) inert doublet. Three cases are shown to consistently unify under the extended survival hypothesis (with minimal fine-tuning): trinification symmetry SU(3) C × SU(3) L × SU(3) R with eitherLRorCRparity, and SU(6) CR × SU(2) L . Although the successful cases give a large range for proton lifetime estimates, all of them include regions consistent with current experimental bounds and within reach of forthcoming experiments. The scenario investigated in this paper essentially represents the unique (potentially) viable choice in the class of E 6 GUTs proceeding through a novel-symmetry intermediate stage, since non-minimal alternatives seem to be intrinsically non-perturbative.

Physics↗
DOE OSTI2024

Breakdown of field theory in near-horizon regions

Abstract We discuss back-reaction in the semiclassical treatment of quantum fields near a black hole. When the state deviates significantly from Hartle-Hawking, simple energetic considerations of back-reaction give rise to a characteristic radial distance scale ∼$$ {\left({r}_s^2{G}_N\right)}^{1/D} $$ r s 2 G N 1 / D , below which some breakdown of effective field theory may occur.

Physics↗
DOE OSTI2026

Measurement and effective field theory interpretation of the photon-fusion production cross section of a pair of W bosons in proton-proton collisions at $\sqrt{s}=13 $ TeV

This analysis presents an observation of the photon-fusion production of W boson pairs using the CMS detector at the LHC. The total cross section of the W + W − production in photon fusion is measured using proton-proton collision data with an integrated luminosity of 138 fb −1 collected with the CMS detector in 2016–2018 at a center-of-mass energy of $\sqrt{s}=13 $ TeV. Events are selected in the final state with one isolated electron and one isolated muon, and no additional tracks associated with the electron-muon production vertex. The total and fiducial production cross sections are 643$^{+82}_{–78}$ fb and 3.96$^{+0.53}_{–0.51}$ fb, respectively, in agreement with the standard model predictions of 631 ± 126 fb and 3.87 ± 0.77 fb. This agreement enables stringent constraints on anomalous quartic gauge couplings within a dimension-8 effective field theory framework.

Hadron-Hadron Scattering↗
DOE OSTI2024

Electric dipole moments in 5+3 flavor weak effective theory

A fully generic treatment of electric dipole moments (EDMs) is presented in the CP-violating and flavor-conserving weak effective field theory (WET) with five flavors of quarks and three flavors of leptons. We systematically analyze leading contributions to EDMs originating from QCD and QED renormalization group running between the electroweak scale and low energy scales of about 2 GeV. We include the full one-loop anomalous dimension and a subset of two-loop corrections, as well as threshold corrections at the bottom, charm and τ masses. This allows us to derive master formulae in the space of generic WET for the neutron and proton EDMs, for EDMs of diamagnetic atoms, and for the precession frequencies constrained in molecular EDM experiments, from which bounds on the electron EDM are extracted. In particular, our master formulae capture the contributions of WET CP-violating operators with heavy quark and lepton flavors. As an application, we study EDM constraints on the Yukawa couplings of the Higgs boson, in both the linear and non-linear realizations of electroweak symmetry breaking.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dynamical edge modes and entanglement in Maxwell theory

Abstract Previous work on black hole partition functions and entanglement entropy suggests the existence of “edge” degrees of freedom living on the (stretched) horizon. We identify a local and “shrinkable” boundary condition on the stretched horizon that gives rise to such degrees of freedom. They can be interpreted as the Goldstone bosons of gauge transformations supported on the boundary, with the electric field component normal to the boundary as their symplectic conjugate. Applying the covariant phase space formalism for manifolds with boundary, we show that both the symplectic form and Hamiltonian exhibit a bulk-edge split. We then show that the thermal edge partition function is that of a codimension-two ghost compact scalar living on the horizon. In the context of a de Sitter static patch, this agrees with the edge partition functions found by Anninos et al. in arbitrary dimensions. It also yields a 4D entanglement entropy consistent with the conformal anomaly. Generalizing to Proca theory, we find that the prescription of Donnelly and Wall reproduces existing results for its edge partition function, while its classical phase space does not exhibit a bulk-edge split.

Physics↗
DOE OSTI2022

Double holography in string theory

We develop the notion of double holography in Type IIB string theory realizations of braneworld models. The Type IIB setups are based on the holographic duals of 4d BCFTs comprising 4d N = 4 SYM on a half space coupled to 3d N = 4 SCFTs on the boundary. Based on the concrete BCFTs and their brane construction, we provide microscopic realizations of the intermediate holographic description, obtained by dualizing only the 3d degrees of freedom. Triggered by recent observations in bottom-up models, we discuss the causal structures in the full BCFT duals and intermediate descriptions. This confirms qualitative features found in the bottom-up models but suggests a refinement of their interpretation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Explainable AI classification for parton density theory

Quantitatively connecting properties of parton distribution functions (PDFs, or parton densities) to the theoretical assumptions made within the QCD analyses which produce them has been a longstanding problem in HEP phenomenology. To confront this challenge, we introduce an ML-based explainability framework, XAI4PDF, to classify PDFs by parton flavor or underlying theoretical model using ResNet-like neural networks (NNs). By leveraging the differentiable nature of ResNet models, this approach deploys guided backpropagation to dissect relevant features of fitted PDFs, identifying x-dependent signatures of PDFs important to the ML model classifications. By applying our framework, we are able to sort PDFs according to the analysis which produced them while constructing quantitative, human-readable maps locating the x regions most affected by the internal theory assumptions going into each analysis. This technique expands the toolkit available to PDF analysis and adjacent particle phenomenology while pointing to promising generalizations.

Artificial Intelligence↗
DOE OSTI2021

Probing effective field theory operators in the associated production of top quarks with a Z boson in multilepton final states at $\sqrt{s}$ = 13 TeV

A search for new top quark interactions is performed within the framework of an effective field theory using the associated production of either one or two top quarks with a Z boson in multilepton final states. The data sample corresponds to an integrated luminosity of 138 fb -1 of proton-proton collisions at √s = 13 TeV collected by the CMS experiment at the LHC. Five dimension-six operators modifying the electroweak interactions of the top quark are considered. Novel machine-learning techniques are used to enhance the sensitivity to effects arising from these operators. Distributions used for the signal extraction are parameterized in terms of Wilson coefficients describing the interaction strengths of the operators. All five Wilson coefficients are simultaneously fit to data and 95% confidence level intervals are computed. All results are consistent with the SM expectations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Search for physics beyond the standard model in top quark production with additional leptons in the context of effective field theory

A search for new physics in top quark production with additional final-state leptons is performed using data collected by the CMS experiment in proton-proton collisions at $ \sqrt{s} $ = 13 TeV at the LHC during 2016–2018. The data set corresponds to an integrated luminosity of 138 fb$^{−1}$. Using the framework of effective field theory (EFT), potential new physics effects are parametrized in terms of 26 dimension-six EFT operators. The impacts of EFT operators are incorporated through the event-level reweighting of Monte Carlo simulations, which allows for detector-level predictions. The events are divided into several categories based on lepton multiplicity, total lepton charge, jet multiplicity, and b-tagged jet multiplicity. Kinematic variables corresponding to the transverse momentum (p$_{T}$) of the leading pair of leptons and/or jets as well as the p$_{T}$ of on-shell Z bosons are used to extract the 95% confidence intervals of the 26 Wilson coefficients corresponding to these EFT operators. No significant deviation with respect to the standard model prediction is found.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Fermionic Finite-Group Gauge Theories and Interacting Symmetric/Crystalline Orders via Cobordisms

We formulate a family of spin Topological Quantum Field Theories (spin-TQFTs) as fermionic generalization of bosonic Dijkgraaf–Witten TQFTs. They are obtained by gauging G-equivariant invertible spin-TQFTs, or, in physics language, gauging the interacting fermionic Symmetry Protected Topological states (SPTs) with a finite group G symmetry. We use the fact that the torsion part of the classification is given by Pontryagin duals to spin-bordism groups of the classifying space BG. We also consider unoriented analogues, that is G-equivariant invertible pin ± -TQFTs (fermionic time-reversal-SPTs) and their gauging. We compute these groups for various examples of abelian G using Adams spectral sequence and describe all corresponding TQFTs via certain bordism invariants in 3, 4 and other dimensions. This gives explicit formulas for the partition functions of spin-TQFTs on closed manifolds with possible extended operators inserted. The results also provide explicit classification of ’t Hooft anomalies of fermionic QFTs with finite abelian group symmetries in one dimension lower. We construct new anomalous boundary spin-TQFTs (surface fermionic topological orders). Finally, we explore SPT and symmetry enriched topologically (SET) ordered states, and crystalline SPTs protected by space-group (e.g. translation Z) or point-group (e.g. reflection, inversion or rotation C m ) symmetries, via the layer-stacking construction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Improved Statistics for F-theory Standard Models

Much of the analysis of F-theory-based Standard Models boils down to computing cohomologies of line bundles on matter curves. By varying parameters one can degenerate such matter curves to singular ones, typically with many nodes, where the computation is combinatorial and straightforward. The question remains to relate the (a priori possibly smaller) value on the original curve to the singular one. In this work, we introduce some elementary techniques (pruning trees and removing interior edges) for simplifying the resulting nodal curves to a small collection of terminal ones that can be handled directly. When applied to the QSMs, these techniques yield optimal results in the sense that obtaining more precise answers would require currently unavailable information about the QSM geometries. This provides us with an opportunity to enhance the statistical bounds established in earlier research regarding the absence of vector-like exotics on the quark-doublet curve.

Bies, Martin↗
DOE OSTI2021

The Relevance of Pion-Exchange Contributions Versus Contact Terms in the Chiral Effective Field Theory Description of Nucleon–Nucleon Scattering

The standard way to demonstrate the relevance of chiral symmetry for the NN interaction is to consider higher partial waves of NN scattering which are controlled entirely by chiral pion-exchanges (since contacts vanish). However, in applications of NN-potentials to nuclear structure and reactions, the lower partial waves are the important ones, making the largest contributions. Lower partial waves are sensitive to the short-range potential, and so, when the short-range contacts were to dominate over the chiral pion contributions in lower partial waves, then the predictions from chiral potentials would have little to do with chiral symmetry. To address this issue, we investigate systematically the role of the (chiral) one- and two-pion exchanges, on the one hand, and the effect of the contacts, on the other hand, in the lower partial waves of NN scattering. We are able to clearly identify the signature of chiral symmetry in lower partial waves. Furthermore, our study has also a pedagogical spinoff as it demonstrates in detail how the reproduction of the lower partial-wave phase shifts comes about from the various ingredients of the theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A Time-Dependent Directional Damage Theory for Brittle Rocks Considering the Kinetics of Microcrack Growth

In this work, a novel microcrack damage theory for describing the time-dependent behavior of brittle rocks is proposed. Instead of using scalar or tensorial variables to approximate the effect of microcracks, the concept of directional damage is introduced by upscaling the directional distribution density of microcracks through the noninteracting homogenization scheme. The contribution of an individual crack on global strain is first derived from the crack-opening displacements including sliding, closure, and dilation. The model is then cast in the free energy form, and the range of parameters ensuring compliance with the second law of thermodynamics is derived rigorously. Considering that the subcritical propagation of microcracks is the dominant mechanism behind the time-dependent deformation and failure of brittle rocks, the driving force for directional damage is defined as the corresponding energy release rate, and the effect of time is introduced through a damage evolution law inspired from the kinetics of subcritical crack growth. The model is applied to simulate the behavior of basalt rock under various loading conditions. In addition to predicting the stress–strain–time response, the model offers enhanced resolution in representing the anisotropic characteristics of microcrack-induced damage in brittle rocks and their time-dependent evolutions.

58 GEOSCIENCES↗
DOE OSTI2023

Some Problems in Density Functional Theory

Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research and though the modern form of DFT has been studied for almost 60 years, some mathematical problems remain. From a physical science perspective, it is far from clear whether those problems are of major import. For context, we provide an outline of the basic structure of DFT as it is presented and used conventionally in physical sciences, note some unresolved mathematical difficulties with those conventional demonstrations, then pose several questions regarding both the time-independent and time-dependent forms of DFT that could benefit from attention in applied mathematics. Furthermore, progress on any of these would aid in development of better approximate functionals and in interpretation of DFT.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Preface to “From Coadsorption and Catalysis at Solid Surfaces to Liquid–Solid Interfaces in Theory and Experiment, Published in Honor of Professor Robert K. Grasselli, Irsee IX Symposium Kloster Irsee, Germany 16–19 June 2022 (Irsee IX)”

The 9th Irsee Symposium entitled “From Coadsorption and Catalysis at Solid Surfaces to Liquid–Solid Interfaces in Theory and Experiment”, sponsored by the Robert Karl Grasselli Foundation, took place at its traditional venue, the Schwäbisches Bildungszentrum in Irsee, Germany, on 16–19 June 2022. In the Irsee Symposium, selected experts gather every few years to discuss recent progress, challenges, new directions, and frontiers in catalysis. Furthermore, after the moratorium imposed on us by Covid-19, all the participants especially enjoyed the lively meeting and face-to-face interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Defect Thermodynamics and Transport Properties of Proton Conducting Oxide BaZr 1–x Y x O 3–δ (x ≤ 0.1) Guided by Density Functional Theory Modeling

Density functional theory-based thermodynamic modeling was performed to determine the effect of humidity and H 2 /O 2 gas pressure on the defect chemistry and transport properties of proton conducting oxide BaZr 1-x Y x O 3-δ (x ≤ 0.1) in the temperature range of 800–1200K, relevant for solid oxide fuel/electrolysis cell applications. The first-principles charge defect analysis was carried out to obtain the defect energetic ensembles as a function of Fermi level as well as the dependence of the hydration and oxidation reaction energies on complex defect-dopant configurations. It is shown that oxygen vacancies introduced to compensate for the extra Ba vacancies may cause a slight increase in the concentration of hydroxyl and proton species upon hydration of Ba deficient BaZr 1-x Y x O 3-δ , while the overall proton diffusivity is predicted to decrease with increased proton hopping barriers upon trapping near the Ba vacancies. The developed defect model is further demonstrated to be able to describe the bulk defect chemistry and transport properties of BaZr 0.9 Y 0.1 O 3-δ under the solid oxide cell operating conditions. Finally, the theoretical framework developed in this work further allows the inclusion of configurational, energetic and electronic characteristics of the defects that can be used as a complementary tool to experimental measurements for testing various mechanistic pathways or to provide essential mechanistic data.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Theory, analysis, and testing of an angular resonator for wave energy generation

This article describes the theory, analysis, and initial bench-top testing of a minimally invasive, rotational resonator designed to produce small amounts of electrical energy for use in oceanic observation buoys. Here, this work details the systems of equations that govern such a resonator, its potential power production, and its predicted effects on the modified motion of the buoy. Finally, a bench-top test apparatus is designed and experimented upon to identify the system and verify the system of equations empirically.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Recent Advances in X-ray Absorption Near Edge Structure (XANES) Simulation for Catalysis: Theories and Applications

X-ray absorption spectroscopy (XAS) is a powerful spectroscopic technique for characterizing catalytic active sites. In particular, X-ray Absorption Near Edge Structure (XANES) provides insights into the oxidation state and local coordination environment of the absorbing atom, shedding light on the catalytic structure. Computational XANES simulations provide one-on-one correspondence between the molecular structure and their corresponding spectra, making them an effective approach for interpreting experimental XANES features. This work outlines various theories used to simulate XANES spectra and highlights recent advancements in computational XANES applications for homogeneous, heterogeneous, and single-atom catalysts focusing on identifying the active site structures, the site heterogeneity, and the dynamic evolution of catalysts.

Xu, Jiayi↗