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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9

A duality in string theory on AdS 3

We consider bosonic string theory on AdS 3 supported by Kalb-Ramond flux. It is well known that the α' exact worldsheet theory is described by the SL(2,R) WZW model. In this note we perform checks of an α' exact dual description proposed in [arXiv:2104.07233] involving a winding condensate on a free theory background. We give the explicit map of vertex operators for normalizable states on both sides of the duality and demonstrate the equivalence of their two and three point functions by direct computation. The duality is of strong-weak nature in α' .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Orbital-dependent correlations in PuCoGa 5

In this study, we investigate the normal state of the superconducting compound PuCoGa 5 using the combination of density functional theory (DFT) and dynamical mean-field theory (DMFT), with the continuous time quantum Monte Carlo (CTQMC) and the vertex-corrected one-crossing approximation (OCA) as the impurity solvers. Our DFT+DMFT (CTQMC) calculations suggest a strong tendency of Pu-5f orbitals to differentiate at low temperatures. The renormalized 5f 5/2 states exhibit a Fermi-liquid behavior whereas one electron in the 5f 7/2 states is at the edge of a Mott localization. We find that the orbital differentiation is manifested as the removing of 5f 7/2 spectral weight from the Fermi level relative to DFT. Finally, we corroborate these conclusions with DFT+DMFT (OCA) calculations which demonstrate that 5f 5/2 electrons have a much larger Kondo scale than the 5f 7/2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Exploiting structure: Introduction and motivation

This annual report summarizes the research activities that were performed from 26 Jun. 1993 to 28 Feb. 1994. We continued to investigate the Robust Stability of Systems where transfer functions or characteristic polynomials are affine multilinear functions of parameters. An approach that differs from 'Stability by Linear Process' and that reduces the computational burden of checking the robust stability of the system with multilinear uncertainty was found for low order, 2-order, and 3-order cases. We proved a crucial theorem, the so-called Face Theorem. Previously, we have proven Kharitonov's Vertex Theorem and the Edge Theorem by Bartlett. The detail of this proof is contained in the Appendix. This Theorem provides a tool to describe the boundary of the image of the affine multilinear function. For SPR design, we have developed some new results. The third objective for this period is to design a controller for IHM by the H-infinity optimization technique. The details are presented in the Appendix.

Xu, Zhong Ling↗

Celestial gluon amplitudes from the outside in

We show that, given a two-dimensional realization of the celestial OPE in self-dual Yang-Mills, we can find a scalar source around which scattering amplitudes replicate correlation functions computed from the 2D ‘gluon’ operators in a limit where a dynamic massless scalar decouples. We derive conditions on the two-dimensional three-point correlation function so that such a source exists and give two particular examples of this construction, one in which gluons are constructed from vertex operators in the semiclassical limit of Liouville theory and another in which the soft gluons arise from generalized free fields. Finally, we identify a bulk dual to the level of the boundary Kac-Moody algebra and discuss moving beyond the decoupling limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Encoder–decoder neural network for solving the nonlinear Fokker–Planck–Landau collision operator in XGC

An encoder–decoder neural network has been used to examine the possibility for acceleration of a partial integro-differential equation, the Fokker–Planck–Landau collision operator. This is part of the governing equation in the massively parallel particle-in-cell code XGC, which is used to study turbulence in fusion energy devices. The neural network emphasizes physics-inspired learning, where it is taught to respect physical conservation constraints of the collision operator by including them in the training loss, along with the ℓ 2 loss. In particular, network architectures used for the computer vision task of semantic segmentation have been used for training. A penalization method is used to enforce the ‘soft’ constraints of the system and integrate error in the conservation properties into the loss function. During training, quantities representing the particle density, momentum and energy for all species of the system are calculated at each configuration vertex, mirroring the procedure in XGC. This simple training has produced a median relative loss, across configuration space, of the order of 10 –4 , which is low enough if the error is of random nature, but not if it is of drift nature in time steps. The run time for the current Picard iterative solver of the operator is O(n 2 ), where n is the number of plasma species. As the XGC1 code begins to attack problems including a larger number of species, the collision operator will become expensive computationally, making the neural network solver even more important, especially since its training only scales as O(n). Here, a wide enough range of collisionality has been considered in the training data to ensure the full domain of collision physics is captured. An advanced technique to decrease the losses further will be subject of a subsequent report. Eventual work will include expansion of the network to include multiple plasma species.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Robust Synthetic Biology Toolkit to Advance Carboxysome Study and Redesign

Carboxysomes are polyhedral protein organelles that microorganisms use to facilitate carbon dioxide assimilation. They are composed of a modular protein shell that envelops an enzymatic core mainly composed of physically coupled Rubisco and carbonic anhydrase. While the modular construction principles of carboxysomes make them attractive targets as customizable metabolic platforms, their size and complexity can be a hindrance. In this work, we design and validate a plasmid set, the pXpressome toolkit, in which α-carboxysomes are robustly expressed and remain intact and functional after purification. We tested this toolkit by introducing mutations that influence carboxysome structure and performance. We find that deletion of vertex-capping genes results in formation of larger carboxysomes, while deletion of facet forming genes produces smaller particles, suggesting that adjusting the ratio of these proteins can rationally affect morphology. Through a series of fluorescently labeled constructs, we observe that this toolkit leads to more uniform expression and better cell health than previously published carboxysome expression systems. Overall, the pXpressome toolkit facilitates the study and redesign of carboxysomes with robust performance and improved phenotype uniformity. The pXpressome toolkit will support efforts to remodel carboxysomes for enhanced carbon fixation or serve as a platform for other nanoencapsulation goals.

59 BASIC BIOLOGICAL SCIENCES↗

DCA_Tools

HPC software for ab-initio, condensed-matter physics, quantum mechanics calculations needs to be built on top of well tested libraries some of which address requirements unique to the programming domain. During the development of the DCA++ code, that we use in our research, we have developed a collection of libraries that may be of use to other computational scientists working in the same or similar domains. The libraries include: a) a pythonic input-language system, b) tensors whose shape is constructed from generalized dimension objects such at time domains. frequency domains, momentum domains, vertex domains et. al. and c) linear algebra operations that resolve to BLA/LAPACK operations when possible. This supports the implementation of Greens functions and operations on them such as are used in condensed matter physics.

Summers, Michael S↗

Electronic structure of LaNiO 2 and CaCuO 2 from a self-consistent vertex-corrected GW approach

In this work, the electronic structure of one of the nickelates (LaNiO 2 ) and one of the cuprates (CaCuO 2 ) is studied with three self-consistent GW-based methods: scGW, sc(GW+vertex), and quasiparticle self-consistent GW. Low-energy features obtained in our study are in many respects similar to the features reported in previous density functional theory plus dynamical mean-field theory (DFT+DMFT) studies. Consistent with the DFT+DMFT conclusion, we find LaNiO 2 to be more correlated than CaCuO 2 . However, correlation effects included in our study change the DFT Fermi surface near the Γ point differently from that reported in DMFT studies. Features that are a few electronvolts away from the Fermi level are broader in our calculations than in the DFT+DMFT, which reflects the differences between the DFT and the GW methods. Our results are in qualitative agreement with previous G0W0 results, but the self-consistency results in quantitative differences. Generally, correlation effects are found to be sufficiently weak in both materials, which allows one to use totally ab initio diagrammatic approaches such as sc(GW+Vertex) and to avoid the methods with adjustable parameters (DFT+U or DFT+DMFT). However, the possibility of some strong correlations at low energy that cannot be captured by perturbative methods cannot be completely excluded. For instance, differences in the Fermi surface should be resolved, thus experimental studies are necessary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Incremental k-core decomposition: Algorithms and evaluation

A k-core of a graph is a maximal connected subgraph in which every vertex is connected to at least k vertices in the subgraph. k-core decomposition is often used in large-scale network analysis, such as community detection, protein function prediction, visualization, and solving NP-hard problems on real networks efficiently, like maximal clique finding. In many real-world applications, networks change over time. As a result, it is essential to develop efficient incremental algorithms for dynamic graph data. In this paper, we propose a suite of incremental k-core decomposition algorithms for dynamic graph data. These algorithms locate a small subgraph that is guaranteed to contain the list of vertices whose maximum k-core values have changed and efficiently process this subgraph to update the k-core decomposition. We present incremental algorithms for both insertion and deletion operations, and propose auxiliary vertex state maintenance techniques that can further accelerate these operations. Our results show a significant reduction in runtime compared to non-incremental alternatives. We illustrate the efficiency of our algorithms on different types of real and synthetic graphs, at varying scales. Furthermore, for a graph of 16 million vertices, we observe relative throughputs reaching a million times, relative to the non-incremental algorithms.

97 MATHEMATICS AND COMPUTING↗

A parallel p ‐adaptive discontinuous Galerkin method for the Euler equations with dynamic load‐balancing on tetrahedral grids

Abstract A novel p ‐adaptive discontinuous Galerkin (DG) method has been developed to solve the Euler equations on three‐dimensional tetrahedral grids. Hierarchical orthogonal basis functions are adopted for the DG spatial discretization while a third order TVD Runge‐Kutta method is used for the time integration. A vertex‐based limiter is applied to the numerical solution in order to eliminate oscillations in the high order method. An error indicator constructed from the solution of order and is used to adapt degrees of freedom in each computational element, which remarkably reduces the computational cost while still maintaining an accurate solution. The developed method is implemented with under the Charm++ parallel computing framework. Charm++ is a parallel computing framework that includes various load‐balancing strategies. Implementing the numerical solver under Charm++ system provides us with access to a suite of dynamic load balancing strategies. This can be efficiently used to alleviate the load imbalances created by p ‐adaptation. A number of numerical experiments are performed to demonstrate both the numerical accuracy and parallel performance of the developed p ‐adaptive DG method. It is observed that the unbalanced load distribution caused by the parallel p ‐adaptive DG method can be alleviated by the dynamic load balancing from Charm++ system. Due to this, high performance gain can be achieved. For the testcases studied in the current work, the parallel performance gain ranged from 1.5× to 3.7×. Therefore, the developed p ‐adaptive DG method can significantly reduce the total simulation time in comparison to the standard DG method without p ‐adaptation.

97 MATHEMATICS AND COMPUTING↗

Characterizing 4-string contact interaction using machine learning

Abstract The geometry of 4-string contact interaction of closed string field theory is characterized using machine learning. We obtain Strebel quadratic differentials on 4-punctured spheres as a neural network by performing unsupervised learning with a custom-built loss function. This allows us to solve for local coordinates and compute their associated mapping radii numerically. We also train a neural network distinguishing vertex from Feynman region. As a check, 4-tachyon contact term in the tachyon potential is computed and a good agreement with the results in the literature is observed. We argue that our algorithm is manifestly independent of number of punctures and scaling it to characterize the geometry ofn-string contact interaction is feasible.

Physics↗

The seven-gluon amplitude in multi-Regge kinematics beyond leading logarithmic accuracy

We present an all-loop dispersion integral, well-defined to arbitrary logarithmic accuracy, describing the multi-Regge limit of the 2 → 5 amplitude in planar N = 4 super Yang-Mills theory. It follows from factorization, dual conformal symmetry and consistency with soft limits, and specifically holds in the region where the energies of all produced particles have been analytically continued. After promoting the known symbol of the 2-loop N -particle MHV amplitude in this region to a function, we specialize to N = 7, and extract from it the next-to-leading order (NLO) correction to the BFKL central emission vertex, namely the building block of the dispersion integral that had not yet appeared in the well-studied six-gluon case. As an application of our results, we explicitly compute the seven-gluon amplitude at next-to-leading logarithmic accuracy through 5 loops for the MHV case, and through 3 and 4 loops for the two independent NMHV helicity configurations, respectively.

1/N expansion↗

Spin dynamics in permalloy nano-ellipses for honeycomb and square lattices

We report experimental and theoretical studies of spin dynamics in lattice structures of permalloy (Ni 80 Fe 20 ) nano-ellipses, with four different types of networks including honeycomb and square lattices. The lattices are patterned at the center line of the co-planar wave guide and consist of non-contacting or contacting ellipses. Micromagnetic simulations show excellent agreement with the broadband ferromagnetic resonance (FMR) experimental results. We find the existence of a spin-wave mode localized in the vertex region of the contacting nano-ellipse network. Our finding has important implications when designing an artificial spin ice (ASI) network for functional magnonics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Updated search for long-lived particles decaying to jet pairs

A search is presented for long-lived particles with a mass between 25 and 50GeV/c 2 and a lifetime between 2 and 500 ps, using proton–proton collision data corresponding to an integrated luminosity of 2.0fb -1 , collected by the LHCb detector at centre-of-mass energies of 7 and 8 TeV. The particles are assumed to be pair-produced in the decay of a 125GeV/c 2 Standard-Model-like Higgs boson. The experimental signature is a single long-lived particle, identified by a displaced vertex with two associated jets. No excess above background is observed and limits are set on the production cross-section as a function of the mass and lifetime of the long-lived particle.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Benchmarking State-of-the-Art Theory and Empirical Models of Pionless Neutrino-Argon Scattering in GENIE

Neutrino event generators require a delicate balance between theory and empirically-driven models to achieve reliable simulations. GENIE is the most commonly used generator, bridging theory and experiment in modern neutrino physics. Its flexible framework makes it ideal for comparing different models across all aspects of neutrino interactions—from the nuclear ground state and primary vertex to final-state interactions. Recently, GENIE has incorporated several state-of-the-art, theory-driven models, including spectral-function descriptions of the nuclear ground state, axial form factors from first-principles lattice QCD calculations, and the Liège intranuclear cascade model for simulating final-state interactions. Compared to the previous baseline models in GENIE—such as the local Fermi gas, dipole-like axial form factor, and hA final-state interaction model—the new implementations are more physically realistic and incorporate more complete physics, including nuclear de-excitation. This poster presents the implementation of new models in GENIE and their performance in comparisons among these models against recent MicroBooNE cross-section measurements.

Liu, Liang [Fermilab] (ORCID:000000026753925X)↗

Benchmarking State-of-the-Art Theory and Empirical Models of Pionless Neutrino-Argon Scattering in GENIE

Neutrino event generators require a delicate balance between theory and empirically-driven models to achieve reliable simulations. GENIE is the most commonly used generator, bridging theory and experiment in modern neutrino physics. Its flexible framework makes it ideal for comparing different models across all aspects of neutrino interactions—from the nuclear ground state and primary vertex to final-state interactions. Recently, GENIE has incorporated several state-of-the-art, theory-driven models, including spectral-function descriptions of the nuclear ground state, axial form factors from first-principles lattice QCD calculations, and the Liège intranuclear cascade model for simulating final-state interactions. Compared to the previous baseline models in GENIE—such as the local Fermi gas, dipole-like axial form factor, and hA final-state interaction model—the new implementations are more physically realistic and incorporate more complete physics, including nuclear de-excitation. This poster presents the implementation of new models in GENIE and their performance in comparisons among these models against recent MicroBooNE cross-section measurements.

Liu, Liang [Fermilab] (ORCID:000000026753925X)↗

Virtual center arraying

Methods to increase the amount of data that can be received from outer planet missions are described with emphasis on antenna arraying systems designed to increase the total effective aperture of the receiving system. One such method is virtual center arraying (VCA). In VCA, a combined carrier reference is derived at a point that is, conceptually, the geometric center of the array. This point need not coincide with any of the actual antennas of the array. A noise analysis of the VCA system is given along with formulas for the phase jitter as a function of loop bandwidths and the amount of loop damping. If the ratio of the loop bandwidths of the center loop to the vertex loops is greater than 100, then the jitter is very nearly equal to that expected for ideal combined carrier referencing.

Deutsch, L. J.↗

Continuously differentiable PIC shape functions for triangular meshes

In this study, a new class of continuously-differentiable shape functions is developed and applied to two-dimensional electrostatic PIC simulation on an unstructured simplex (triangle) mesh. It is shown that troublesome aliasing instabilities are avoided for cold plasma simulation in which the Debye length is as small as 0.01 cell sizes. These new shape functions satisfy all requirements for PIC particle shape. They are non-negative, have compact support, and partition unity. They are given explicitly by cubic expressions in the usual triangle logical (areal) coordinates. The shape functions are not finite elements because their structure depends on the topology of the mesh, in particular, the number of triangles neighboring each mesh vertex. Nevertheless, they may be useful as approximations to solution of other problems in which continuity of derivatives is required or desired.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗