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The Short Baseline Neutrino Program at Fermilab

The current status of the Short Baseline Neutrino (SBN) project at Fermilab is reviewed. While the installation of SBND is still in progress, ICARUS has taken its first neutrino data on beam:using both the Booster Neutrino Beam (BNB) and the Neutrino at the Main Injector (NuMI) beam.MicroBooNE has presently completed its data taking and is producing the world’s first high statistics results on neutrino Argon interactions, in both inclusive and exclusive channels. In parallel, the unexpected MiniBooNE “low energy excess” is under investigation, to search for sterile neutrinos.The physics potential for sterile neutrino searches at SBN will be outlined, with emphasis on the Neutrino-4 experiment and the possible ICARUS verification of this claim.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Building a Culture of Equitable Access and Success for Marginalized Members in Today's Particle Physics Community

Diversity, Equity, Inclusion, and Accessibility (DEIA) are not only called for to ensure morality and justice in our society, they also support ongoing and future excellence in particle physics. Over the past decade, the particle physics community has devised programs to support DEIA along multiple axes, and the way we think about measuring and implementing these initiatives has evolved. DEIA in physics is a broad topic, so in this paper we focus on the experiences of marginalized communities and outline ways different stakeholders can build a culture of equitable access for the success of marginalized individuals. Specifically, we identify urgent needs in the following areas: (1) We need to acquire a better understanding of the status quo, both quantitatively and qualitatively, to assess the effectiveness of existing programs and to develop best practices; (2) we need to develop effective and inclusive ways to engage marginalized communities; (3) we need to create infrastructure to better support members of marginalized communities, on an academic, financial and personal level; (4) we need to create an environment conducive to equitable access and success by establishing community expectations, fostering inclusion in social interactions, and holding individuals and institutions accountable; and (5) we need to establish a mechanism to monitor progress in the area of DEIA, including the implementation of the recommendations enumerated in this paper and others during the Snowmass 2021 process.

Assamagan, Kétévi A.↗

The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water

In this work, we report the results of a series of density functional theory (DFT) based ab initio molecular dynamics (AIMD) simulations of ambient liquid water using a hierarchy of exchange-correlation (XC) functionals to investigate the individual and collective effects of exact exchange (Exx), via the PBE0 hybrid functional, non-local van der Waals/dispersion (vdW) interactions, via a fully self-consistent density-dependent dispersion correction, and an approximate treatment of nuclear quantum effects, via a 30 K increase in the simulation temperature, on the microscopic structure of liquid water. Based on these AIMD simulations, we found that the collective inclusion of Exx and vdW as resulting from a large-scale AIMD simulation of (H{sub 2}O){sub 128} significantly softens the structure of ambient liquid water and yields an oxygen-oxygen structure factor, S{sub OO}(Q), and corresponding oxygen-oxygen radial distribution function, g{sub OO}(r), that are now in quantitative agreement with the best available experimental data. This level of agreement between simulation and experiment demonstrated herein originates from an increase in the relative population of water molecules in the interstitial region between the first and second coordination shells, a collective reorganization in the liquid phase which is facilitated by a weakening of the hydrogen bond strength by the use of a hybrid XC functional, coupled with a relative stabilization of the resultant disordered liquid water configurations by the inclusion of non-local vdW/dispersion interactions. This increasingly more accurate description of the underlying hydrogen bond network in liquid water also yields higher-order correlation functions, such as the oxygen-oxygen-oxygen triplet angular distribution, P{sub OOO}(θ), and therefore the degree of local tetrahedrality, as well as electrostatic properties, such as the effective molecular dipole moment, that are in much better agreement with experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

QCD measurements at the Tevatron

Selected quantum chromodynamics (QCD) measurements performed at the Fermilab Run II Tevatron p{bar p} collider running at {radical}s = 1.96 TeV by CDF and D0 Collaborations are presented. The inclusive jet, dijet production and three-jet cross section measurements are used to test perturbative QCD calculations, constrain parton distribution function (PDF) determinations, and extract a precise value of the strong coupling constant, {alpha}{sub s}(m{sub Z}) = 0.1161{sub -0.0048}{sup +0.0041}. Inclusive photon production cross-section measurements reveal an inability of next-to-leading-order (NLO) perturbative QCD (pQCD) calculations to describe low-energy photons arising directly in the hard scatter. The diphoton production cross-sections check the validity of the NLO pQCD predictions, soft-gluon resummation methods implemented in theoretical calculations, and contributions from the parton-to-photon fragmentation diagrams. Events with W/Z+jets productions are used to measure many kinematic distributions allowing extensive tests and tunes of predictions from pQCD NLO and Monte-Carlo (MC) event generators. The charged-particle transverse momenta (p{sub T}) and multiplicity distributions in the inclusive minimum bias events are used to tune non-perturbative QCD models, including those describing the multiple parton interactions (MPI). Events with inclusive production of {gamma} and 2 or 3 jets are used to study increasingly important MPI phenomenon at high p{sub T}, measure an effective interaction cross section, {sigma}{sub eff} = 16.4 {+-} 2.3 mb, and limit existing MPI models.

43 PARTICLE ACCELERATORS↗

Uncovering the mechanism of selective stabilization of high-energy diastereoisomers via inclusion

Abstract Supramolecular systems may be used to stabilize otherwise unstable isomers to find alternative synthetic pathways. It has been reported that cucurbit[8]uril can stabilize trans -I and trans -II Cu $$^{{\textrm{II}}}$$ II cyclam, whereas trans -III is the only non-substituted trans Cu $$^{{\textrm{II}}}$$ II cyclam diastereoisomer found outside of the host molecule experimentally. Quantum chemistry methods can provide valuable insight into the intermolecular interactions involved in these inclusion complexes. All five possible trans diastereoisomers of Cu $$^{{\textrm{II}}}$$ II cyclam were studied within the host molecule to calculate the interaction energy and free energy of association for each complex. The relative free energies of the five free cyclams confirm that trans -I and trans -II are the most energetically accessible diastereoisomers from the initial trans -III starting point. Energy decomposition analysis was used to identify the attractive and repulsive interactions between cyclam and cucurbit[8]uril and showed that trans -II encounters repulsive forces almost three times greater than trans -I, which may explain the 7:3 ratio of trans -I to trans -II within cucurbit[8]uril that occurs experimentally. Optimized complex geometries with trans -III, IV, and V show that the cyclams protrude out of cucurbit[8]uril, whereas trans -I and trans -II become more encapsulated and elongate the host, suggesting that the position of the cyclam is extremely important when forming non-covalent interactions. Our results agree with the experimental findings and provide greater insight into why the most stable isolated cyclam diastereoisomer, trans -III, does not form a complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Two- and three-nucleon contact interactions and ground-state energies of light- and medium-mass nuclei

Classes of two-nucleon (2N) contact interactions are developed in configuration space at leading order (LO), next-to-leading order (NLO), and next-to-next-to-next-to-leading order (N3LO) by fitting the experimental singlet np scattering length and deuteron binding energy at LO, and np and pp scattering data in the laboratory-energy ranges 0–15 MeV at NLO and 0–25 MeV at N3LO. These interactions are regularized by including two Gaussian cutoffs, one for T = 0 and the other for T = 1 channels. The cutoffs are taken to vary in the ranges R 0 = (1.5 –2.3) fm and R 1 = (1.5 –3.0) fm. The 780 (1100) data points up to 15 (25) MeV energy, primarily differential cross sections, are fitted by the NLO (N3LO) models with a χ 2 / datum about 1.7 or less (well below 1.5), when harder cutoff values are adopted. As a first application, we report results for the binding energies of nuclei with mass numbers A = 3 –6 and 16 obtained with selected LO and NLO 2N models both by themselves as well as in combination with a LO three-nucleon (3N) contact interaction. The latter is characterized by a single low-energy constant that is fixed to reproduce the experimental 3 H binding energy. The inclusion of the 3N interaction largely removes the sensitivity to cutoff variations in the few-nucleon systems and leads to predictions for the 3 He and 4 He binding energies that cluster around 7.8 and 30 MeV, respectively. However, in 16 O this cutoff sensitivity remains rather strong. Finally, predictions at LO only are also reported for medium-mass nuclei with A = 40 , 48, and 90.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Instabilities in the Early Solar System Due to a Self-gravitating Disk

Modern studies of the early solar system routinely invoke the possibility of an orbital instability among the giant planets triggered by gravitational interactions between the planets and a massive exterior disk of planetesimals. Previous works have suggested that this instability can be substantially delayed (about hundreds of megayears) after the formation of the giant planets. Bodies in the disk are typically treated in a semi-active manner, wherein their gravitational force on the planets is included, but interactions between the planetesimals are ignored. We perform N-body numerical simulations using GENGA, which makes use of GPUs to allow for the inclusion of all gravitational interactions between bodies. Although our simulated Kuiper Belt particles are more massive than the probable masses of real primordial Kuiper Belt objects, our simulations indicate that the self-stirring of the primordial Kuiper Belt is very important to the dynamics of the giant planet instability. We find that interactions between planetesimals dynamically heat the disk and typically prevent the outer solar system’s instability from being delayed by more than a few tens of megayears after giant planet formation. Longer delays occur in a small fraction of systems that have at least 3.5 au gaps between the planets and planetesimal disk. Our final planetary configurations match the solar system at a rate consistent with other previous works in most regards. Pre-instability heating of the disk typically yields final Jovian eccentricities comparable to the modern solar system’s value, which has been a difficult constraint to match in past works.

79 ASTRONOMY AND ASTROPHYSICS↗

Stable large-scale solver for Ginzburg–Landau equations for superconductors

Understanding the interaction of vortices with inclusions in type-II superconductors is a major outstanding challenge both for fundamental science and energy applications. At application-relevant scales, the long-range interactions between a dense configuration of vortices and the dependence of their behavior on external parameters, such as temperature and an applied magnetic field, are all important to the net response of the superconductor. Capturing these features, in general, precludes analytical description of vortex dynamics and has also made numerical simulation prohibitively expensive. Here we report on a highly optimized iterative implicit solver for the time-dependent Ginzburg-Landau equations suitable for investigations of type-II superconductors on massively parallel architectures. Its main purpose is to study vortex dynamics in disordered or geometrically confined mesoscopic systems. In this work, we present the discretization and time integration scheme in detail for two types of boundary conditions. We describe the necessary conditions for a stable and physically accurate integration of the equations of motion. Using an inclusion pattern generator, we can simulate complex pinning landscapes and the effect of geometric confinement. We show that our algorithm, implemented on a GPU, can provide static and dynamic solutions of the Ginzburg-Landau equations for mesoscopically large systems over thousands of time steps in a matter of hours. Using our formulation, studying scientifically-relevant problems is a computationally reasonable task.

Sadovskyy, I. A.↗

Measurements of cross-section of charge current inclusive of antineutrino scattering off nucleons using carbon, iron, lead and scintillator at MINER$\nu$A for 2GeV $<$ E$\nu$ $<$ 20GeV

Neutrino physics is one of the most active fields in the domaine of high energy physics during the last century. The need of precise measurement of neutrino-nucleus interactions required by the neutrino oscillation experiments is a an exiting step. These measurements of cross-section are more than essential for neutrino oscillation experiment. Over the year, many measurements from varieties of experiments have been presented. MINERνA is one of the world leaders in measuring cross-section of neutrino and antineutrino -nucleus interactions. MINERνA is a neutrino-nucleus scattering experiment installed in the few-GeV NuMI beam line at Fermilab. In order to study nuclear dependence, MINERνA is endowed with different types of solid nuclear targets as well are liquid targets such as helium and water. This thesis presents measurements of cross-section of antineutrino scattering off nucleons using a variety of solid nuclear targets, carbon, iron, lead and also polystyrene scintillator (CH). The data set of antineutrino used for this analysis was taken between March and July 2010 with a total of 1.60X10 20 protons on target. Charged current inclusive interactions were selected by requiring a positive muon and kinematics limitation of acceptance of the muon spectrometer are applied. The analysis requires neutrino energy between 2GeV et 20GeV and the angle of muon θ m u < 17degree . The absolute cross-section # as function of neutrino energy and the differential cross-section dσ/ dx bj measured and shown the corresponding systematics for each nuclear targets. Data results are compared with prediction of the models implemented in the neutrino events generators GENIE 2.6.2 used by the experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Unifying disparate rate-dependent rheological regimes in non-Brownian suspensions

A typical dense non-Brownian particulate suspension exhibits shear thinning (decreasing viscosity) at low shear rate/stress followed by a Newtonian plateau (constant viscosity) at intermediate shear rate/stress values which transitions to shear thickening (increasing viscosity) beyond a critical shear rate/stress value and finally, undergoes a second shear thinning transition at extremely high shear rate/stress values. In this study, we unify and quantitatively reproduce all the disparate rate dependent regimes and the corresponding transitions for a dense non-Brownian suspension with increasing shear rate/stress. Here, we employ discrete particle dynamics simulations based on the proposed mechanism to elucidate its accuracy. We find that a competition between inter-particle interactions of hydrodynamic and non-hydrodynamic origins and the switching in the dominant stress scale with increasing the shear rate/stress lead to each of the above transitions. Inclusion of traditional hydrodynamic interactions, attractive/repulsive DLVO (Derjaguin and Landau, Verwey and Overbeek) interactions, the inter-particle contact interactions and a constant friction (or other constraint mechanism) reproduce the initial thinning as well as the shear thickening transition. However, to quantitatively capture the intermediate Newtonian plateau and the second shear thinning, an additional non-hydrodynamic interaction of non-DLVO origin and a decreasing coefficient of friction, respectively, are essential; thus, providing the first explanation for the presence of the intermediate Newtonian plateau along with reproducing the second shear thinning in a single framework. Expressions utilized for various interactions and friction are determined from experimental measurements and hence, result in an excellent quantitative agreement between the simulations and previous experiments.

42 ENGINEERING↗

Applying Quantum Tomography to Hadronic Interactions

A proper description of inclusive reactions is expressed with density matrices. Quantum tomography reconstructs density matrices from experimental observables. We review recent work that applies quantum tomography to practical experimental data analysis. Almost all field-theoretic formalism and modeling used in a traditional approach is circumvented with great efficiency. Tomographically-determined density matrices can express information about quantum systems which cannot in principle be expressed with distributions defined by classical probability. Topics such as entanglement and von Neumann entropy can be accessed using the same natural language where they are defined. A deep relation exists between separability, as defined in quantum information science, and factorization, as defined in high energy physics. Factorization acquires a non-perturbative definition when expressed in terms of a conditional form of separability. An example illustrates how to go from data for momentum 4-vectors to a density matrix while bypassing almost all the formalism of the Standard Model.

Martens, J. C.↗

Semiconductor-to-metal phase transition in monolayer ZrS{sub 2}: GGA+U study

We report structural and electronic properties of ZrS{sub 2} monolayer within density functional theory (DFT) by inclusion of Hubbard on-site Coulomb and exchange interactions. The importance of on-site interactions for both ZrS{sub 2} bulk and monolayer has been highlighted that significantly improves the electronic band-gap. It is demonstrated that mechanical strain induces structural phase transition that results in semiconductor-to-metal transition in monolayer ZrS{sub 2}. This phenomenon has important implications in technological applications such as flexible, low power and transparent electronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Frustration Properties of the 1D Ising Model

We analyze frustration properties of the Ising model for a 1D monatomic equidistant lattice in an external uniform magnetic field considering exchange interactions of atomic spins at the sites of the first (nearest) and second neighbors. Exact analytic expressions for thermodynamic and magnetic characteristics of the system, as well as for the Fourier transform of the pair spin–spin correlation function and magnetic diffused scattering wavevectors, were obtained by the method of the Kramers–Wannier transfer matrix considering the exchange interaction between spins at the nearest-neighbor sites in an external magnetic field, as well as the exchange interaction between spins at the second-neighbor sites in zero magnetic field. The criteria for the emergence of magnetic frustration in the presence of competition not only between exchange-interaction energies, but also between these energies and the external magnetic field energy are formulated. The frustration points and the values of frustration magnetic fields depending on the magnitudes and signs of the exchange interaction are determined. The distinguishing features of this model in the frustration regime and its vicinity are analyzed. The set of characteristic features inherent in observables for systems with magnetic frustrations is considered and analyzed. It is shown that the inclusion of competing exchange interactions at the first- and second-neighbor sites makes it possible to describe the behavior of the magnetic diffused scattering wavevector for commensurate, incommensurate, and lock-in structures.

74 ATOMIC AND MOLECULAR PHYSICS↗

Sterile Neutrino Search in the NOvA Far Detector

The majority of neutrino oscillation experiments have obtained evidence for neutrino oscillations that are compatible with the three-flavor model. Explaining anomalous results from short-baseline experiments, such as LSND and MiniBooNE, in terms of neutrino oscillations requires the existence of sterile neutrinos. The search for sterile neutrino mixing conducted in NOvA uses a long baseline of 810 km between Near Detector (ND) at Fermilab and Far Detector (FD) in Minnesota. The signal for sterile neutrino oscillations is a deficit of neutral-current neutrino interactions at the FD with respect to the ND prediction. In this document, We will present the analysis improvements that we are implementing for future NC sterile neutrino searches with NOvA. These include: improved modelling of our detector response; the inclusion of NC 2p2h interaction modelling; implementing a better energy reconstruction techniques; and including possible oscillation due to sterile neutrinos in the ND . This improvements enable us to do a simultaneous ND-FD shape fit of the NC energy spectrum covering a wider sterile mass range than previous analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

d-wave superfluidity in optical lattices of ultracold polar molecules

Recent work on ultracold polar molecules, governed by a generalization of the t-J Hamiltonian, suggests that molecules may be better suited than atoms for studying d-wave superfluidity due to stronger interactions and larger tunability of the system. We compute the phase diagram for polar molecules in a checkerboard lattice consisting of weakly coupled square plaquettes. In the simplest experimentally realizable case where there is only tunneling and an XX-type spin-spin interaction, we identify the parameter regime where d-wave superfluidity occurs. We also find that the inclusion of a density-density interaction destroys the superfluid phase and that the inclusion of a spin-density or an Ising-type spin-spin interaction can enhance the superfluid phase. We also propose schemes for experimentally realizing the perturbative calculations exhibiting enhanced d-wave superfluidity.

74 ATOMIC AND MOLECULAR PHYSICS↗

Quark-hadron duality in nucleon structure functions

We review progress in the study of quark-hadron duality in nucleon structure functions. New developments include insights into local duality obtained using truncated moments of structure functions, which allow duality-violating higher-twist contributions to be identified in individual resonance regions. Studies of pion electroproduction have also showed the first glimpses of duality in semi-inclusive cross sections, which if confirmed would greatly expand the scope of constraining the flavor and spin dependence of parton distributions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗