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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

Portable interactive visualization of large-scale simulations in geotechnical engineering using Unity3D

Development in large-scale geotechnical engineering simulation places tremendous demand for efficient visualization of such simulation data. This study presents a lightweight software tool, i.e. Geotechnical Interactive Visualization (GIV), as a solution to this challenge, which achieves efficient interactive visualization of large-scale simulations data in geotechnical engineering. Visualization data flow and algorithms specifically optimized for common geotechnical engineering applications are implemented in GIV. GIV can visualize geotechnical structure models with time-varying attributes attached to mesh with fixed topology, and also models with time-varying mesh topologies but no attributes attached, the two most common visualization tasks in geotechnical engineering. Furthermore, challenges for large-scale simulation data visualization, including parallel simulation data redundancy, massive data size, dynamic user interaction, and portability are overcome via specifically designed algorithms for simulation data preprocessing and optimized visualization modules using the powerful 3D rendering and interactive game engine Unity3D. Comparison of GIV with several widely used visualization tools for the visualization of large-scale idealized datasets and realistic geotechnical simulations highlights the visualization efficiency, smooth interactivity, and lightweight features of GIV.

42 ENGINEERING↗

Floquet-driven indirect exchange interaction mediated by topological insulator surface states

Light drives offer a potential tool for the dynamical control of magnetic interactions in matter. We theoretically investigate the indirect exchange coupling between two parallel chains of magnetic impurities on the surface of a topological insulator, driven by a time-periodic circularly polarized light field in the high-frequency, off-resonant regime. We derive a closed-form analytic expression for the spin susceptibility of the photon-dressed topological insulator surface states and obtain the irradiation dependence of the Ising, Heisenberg, and Dzyaloshinskii-Moriya exchange couplings between the impurity chains. Our results show a two-pronged modification of these exchange couplings by periodic drives. First, the Ruderman-Kittel-Kasuya-Yosida (RKKY) oscillation period of the exchange couplings can be extended by enhancing the driving strength. Second, increasing driving strength enhances the envelope of RKKY oscillations of the Ising type while suppressing those of the Heisenberg type and Dzyaloshinskii-Moriya type. Furthermore, our work provides useful insights for realizing Floquet engineering of collinear and noncollinear indirect exchange interactions in topological insulating systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Half‐Integer Topological Charge Polarization of Quasi‐Dirac Bound States in the Continuum

Abstract The non‐trivial polarization topology of bound states in the continuum (BICs) provides new strategies in nanophotonics. The polarization topology depends on the geometric parameters and energy‐momentum dispersion of the system and can be engineered to add specific functionalities for light molding. Herein, such a possibility is investigated by studying the topology of the polarization states associated with the optical field radiated by BICs when Dirac‐cone‐degeneracy is lifted. The opening of a pseudogap in the Dirac cone dispersion of square‐lattice dielectric photonic crystal slabs is achieved by tuning the slab thickness. First, the emergence of half‐integer topological charges without the requirement of BIC annihilation is theoretically shown, which instead occurs when in‐plane inversion symmetry is broken. Then, using spin‐to‐orbital angular momentum conversion, the theory of half‐integer topological charges mediated by BICs is demonstrated and experimentally proved. The same device is able to give rise to vortices with different orbital angular momentum depending on the way it is illuminated, thus improving the potential of optical multiplexing. In addition, the additive character of the topology‐induced phase‐vortex generation is finally demonstrated for both integer and half‐integer charges using also vortex states as input beams, which is of relevance for information delivery.

36 MATERIALS SCIENCE↗

Band inversion-driven warping and high valley degeneracy

Band inversion is a physical phenomenon that can warp the band structure in topological insulators, generating multiple electronic valleys for conducting carriers. However, the conditions under which band inversion induces warping are not well understood. Here, we derive two general rules that must be satisfied for band warping to occur in centrosymmetric and non-magnetic topological insulators: (1) bands must be sufficiently inverted, and (2) secondary bands must have opposite parity and be close in energy to the band edges. We chart the valley degeneracies that can emerge from band inversion in each of the 11 centrosymmetric point groups, revealing that an increase in the valley degeneracy between 2- and 48-fold is possible from band inversion. The generalized rules offer a unique band engineering approach by capitalizing on the non-trivial electronic structures of topological insulators.

36 MATERIALS SCIENCE↗

Plastic work constrained elastoplastic topology optimization

An elastoplastic topology optimization framework for limiting plastic work generation while maximizing stiffness is presented. The kinematics and constitutive model are based on finite strain linear isotropic hardening plasticity, and the balance laws are solved using a total Lagrangian finite element formulation. Aggregation of the specific plastic work combined with an adaptive normalization scheme efficiently constrains the maximum specific plastic work. The optimization problem is regularized using an augmented partial differential equation filter, and is solved by the method of moving asymptotes where path-dependent sensitivities are derived using the adjoint method. The numerical examples show a clear dependence on the optimized maximum stiffness structures for different levels of constrained specific plastic work. It is also shown that due to the history dependency of the plasticity, the load path significantly influences the structural performance and optimized topology.

42 ENGINEERING↗

Floquet Gauge Pumps as Sensors for Spectral Degeneracies Protected by Symmetry or Topology

We introduce the concept of a Floquet gauge pump whereby a dynamically engineered Floquet Hamiltonian is employed to reveal the inherent degeneracy of the ground state in interacting systems. We demonstrate this concept in a one-dimensional XY model with periodically driven couplings and transverse field. In the high-frequency limit, we obtain the Floquet Hamiltonian consisting of the static XY and dynamically generated Dzyaloshinsky-Moriya interaction (DMI) terms. The dynamically generated magnetization current depends on the phases of complex coupling terms, with the XY interaction as the real and DMI as the imaginary part. As these phases are cycled, the current reveals the ground-state degeneracies that distinguish the ordered and disordered phases. In conclusion, we discuss experimental requirements needed to realize the Floquet gauge pump in a synthetic quantum spin system of interacting trapped ions.

74 ATOMIC AND MOLECULAR PHYSICS↗

An error-in-constitutive equations strategy for topology optimization for frequency-domain dynamics

This paper presents a topology optimization formulation for frequency-domain dynamics to reduce solution dependence upon initial guess and considered loading conditions. Due to resonance phenomena in undamped steady-state dynamics, objectives measuring dynamic response possess many local minima that may represent poor solutions to a design problem, an issue exacerbated for design with respect to multiple frequencies. In this work, we propose an extension of the modified error-in-constitutive-equations (MECE) method, used previously in material identification inverse problems, as a new approach for frequency-domain dynamics topology optimization to mitigate these issues. The main idea of the proposed framework is to incorporate an additional penalty-like term in the objective function that measures the discrepancy in the constitutive relations between stresses and strains and between inertial forces and displacements. Then, the design problem is cast within a PDE-constrained optimization formulation in which we seek displacements, stresses, inertial forces, and a density-field solution that minimize our new objective subject to conservation of linear momentum plus some additional constraints. We show that this approach yields superior designs to conventional gradient-based optimization approaches that solely use a functional of displacements as the objective, while strictly enforcing the constitutive equations. The MECE strategy integrates into a density-based topology optimization scheme for void–solid or two-phase material structural design. We highlight the merits of our approach in a variety of scenarios for direct frequency response design, considering multiple frequency load cases and structural objectives.

42 ENGINEERING↗

Programmable interactions and emergent geometry in an array of atom clouds

Interactions govern the flow of information and the formation of correlations between constituents of many-body quantum systems, dictating phases of matter found in nature and forms of entanglement generated in the laboratory. Typical interactions decay with distance and thus produce a network of connectivity governed by geometry—such as the crystalline structure of a material or the trapping sites of atoms in a quantum simulator. However, many envisioned applications in quantum simulation and computation require more complex coupling graphs including non-local interactions, which feature in models of information scrambling in black hole, and mappings of hard optimization problems onto frustrated classical magnets. Here we describe the realization of programmable non-local interactions in an array of atomic ensembles within an optical cavity, in which photons carry information between atomic spins. By programming the distance dependence of the interactions, we access effective geometries for which the dimensionality, topology and metric are entirely distinct from the physical geometry of the array. As examples, we engineer an antiferromagnetic triangular ladder, a Möbius strip with sign-changing interactions and a treelike geometry inspired by concepts of quantum gravity. The tree graph constitutes a toy model of holographic duality, in which the quantum system lies on the boundary of a higher-dimensional geometry that emerges from measured correlations. Overall, our work provides broader prospects for simulating frustrated magnets and topological phases, investigating quantum optimization paradigms and engineering entangled resource states for sensing and computation.

74 ATOMIC AND MOLECULAR PHYSICS↗

Minimum feature size control in level set topology optimization via density fields

A level set topology optimization approach that uses an auxiliary density field to nucleate holes during the optimization process and achieves minimum feature size control in optimized designs is explored. The level set field determines the solid-void interface and the density field describes the distribution of a fictitious porous material using the solid isotropic material with penalization. These fields are governed by two sets of independent optimization variables which are initially coupled using a penalty for hole nucleation. The strength of the density field penalization and projection is gradually increased during the optimization process to promote a 0-1 density distribution. In addition, a second penalty regulates the evolution of the density field in the void phase. The treatment of the density field combined with the second penalty mitigate the appearance of small design features. The minimum feature size of optimized designs is controlled by the radius of the linear filter applied to the density optimization variables. The structural response is predicted by the extended finite element method, the sensitivities by the adjoint method, and the optimization variables are updated by a gradient-based optimization algorithm. Numerical examples investigate the robustness of this approach with respect to algorithmic parameters and mesh refinement. The results show the applicability of the combined density level set topology optimization approach for both optimal hole nucleation and for minimum feature size control in 2D and 3D. This comes, however, at the cost of a more complex problem formulation and additional computational cost due to an increased number of optimization variables.

42 ENGINEERING↗

Chiral Topological Surface States on a Finite Square Photonic Crystal Bounded by Air

Chiral, topologically protected, photonic surface states can be found at the boundary between gyrotropic photonic crystals where a changing magnetic field induces different topology across the interface. Typically, photonic crystals with either a suitable band structure on both sides of the interface to provide a band gap and evanescent decay of the surface states away from the interface, or an outer layer with engineered material properties is required. In this paper, we show the emergence of topological, unidirectional surface states at the termination of finite gyrotropic photonic crystals with a simple square lattice and C 4 rotational symmetry bounded by a vacuum, eliminating the need for an outside layer to enable chiral surface modes. Here, we start from an infinite, time-reversal-symmetry-breaking photonic crystal with a band gap associated with bands with nonzero Chern numbers, different from all-zero Chern numbers in air. We then modify the photonic crystal to move this band gap below the light line, while maintaining the Chern-number discontinuities. Band-structure calculations for a supercell approximating a photonic crystal finite in the direction normal to the surface demonstrate the existence, dispersion, and chirality of the surface mode. Extensive direct scattering calculations for a point source and spatial Fourier analysis further reveal a unidirectional free-space topological surface state, which propagates counterclockwise around the surface of a finite photonic crystal, providing a nearly foolproof way to cross-check the surface-mode band structure unaffected by backscattering from local defects. Additionally, scattering simulations allow an independent characterization of the state dispersion and unveil the robustness of the topological plasmonic mode propagation around the 90° bends of the structure, being due to only radiation leakage. In contrast to buried topological surface states, the observed surface modes at the photonic crystal–air interface have the advantage of being accessible to the outside world, allowing one to take advantage of the defect-tolerant backscattering-free surface modes to engineer emission from photonic crystal surfaces into arbitrary free-space beam shapes and directions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Wholesale Electricity Analysis via Simulation & Learning Experiments (WEASLE): Platform Development and Pilot Competition

This document reports the development of the Wholesale Electricity Analysis via Simulation and Learning Experiments (WEASLE) platform and the pilot competition that was conducted to test the platform. Due to the increasing reliance on variable renewable energy resources for bulk power, the pilot competition, called the Energy Storage Participation Algorithm Competition (ESPA-Comp), was used to test the effect of various market designs on storage utilization and market efficiency. Basic details of the platform are provided, including an overview of the market clearing engine, the battery dispatch and degradation models, electric grid topology and resource mix, and software architecture. Two market designs were tested: a two-settlement market analogous to typical ISO design today, and a multi-settlement market that allows additional forward-trading periods during the real-time market. Results from the pilot competition show that the storage bidding problem is nontrivial and is well suited for future challenges. We find that: 1) all four teams utilized different approaches to the bidding problem, 2) different methodological approaches led to substantially different offer behaviors, 3) resource profits are clustered by team and methodological approach, 4) simulated offers reduced market surplus by about 0.5%, 5) substantially different prices between two-settlement and multi-settlement markets albeit minimal difference in overall market surplus.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Topological Invariant of Manifolds in Slawianowski’s Field Theory [Slides]

Witten constructed topological invariants of manifolds by introducing actions depending only on smooth structures of the manifold without using a metric. He focused on an example of Chern-Simons’ theory on 3D manifolds. Slawianowski based his field theory on frame/coframe fields without a metric. A Witten-type topological invariant can be introduced in Slawianowski’s framework, using an integral over the reper fields. Such invariant behaves differently for group manifolds than for all others. It additionally distinguishes semi-simple Lie group manifolds from other group manifolds. Further study of this new invariant is needed, including possible generalizations to other field theories.

42 ENGINEERING↗

Joint Topology Identification and State Estimation in Unobservable Distribution Grids

Many distribution system operations (e.g., state estimation, control, fault detection/localization) rely on the assumption that the underlying topology is accurately defined. In general, topology identification is a challenging problem in distribution systems as these systems are unobservable with a very limited number of available measurements. In this paper, we tackle this problem by designing a compressive sensing framework that jointly estimates the systems states and network topology via an integrated mixed integer nonlinear program (MINLP) formulation. Here, two reformulations of the original MINLP problems are investigated. Firstly, in order to remove the nonlinearity in the MINLP formulation, a mixed integer linear programming (MILP) problem that employs auxiliary variables is derived. Furthermore, to achieve a faster solution, convex relaxation of the original formulation is derived. Finally, using a Markovian model for topology changes, prior information about system topology is used to improve topology identification particularly when a limited amount of measurements is available. Simulation results on IEEE 37-bus test feeder and IEEE 123-bus test feeder illustrate the efficiency and scalability of the proposed approaches from both state estimation and topology identification point of view (even with 30% of available data).

42 ENGINEERING↗

Tunable phononic bandgap materials designed via topology optimization

Topology optimization is used to design phononic bandgap materials that are tunable by mechanical deformation. A periodic media is considered, which due to the assumption of length scale separation, allows the dispersion relations to be obtained by analyzing a single unit cell subjected to Floquet–Bloch boundary conditions. A finite macroscopic deformation is applied to the unit cell to affect its geometry and hence dispersion. We tune the dispersion–deformation relation to our liking by solving a topology optimization problem using nonlinear programming. The adjoint method is employed to compute the sensitivities, and the non-differentiability of degenerate eigenvalues is avoided using symmetric polynomials. Several tunable phononic crystal designs are presented. Also, a verification analysis is performed, wherein the optimized design is interpreted and analyzed using a conforming finite element mesh.

42 ENGINEERING↗

On Galilean invariance of mean kinetic helicity

While kinetic helicity is not Galilean invariant locally, it is known [Moffatt, J. Fluid Mech. 35, 117 (1969)] that its spatial integral quantifies the degree of knottedness of vorticity field lines. Being a topological property of the flow, mean kinetic helicity is Galilean invariant. Here, we provide a direct mathematical proof that kinetic helicity is Galilean invariant when spatially integrated over regions enclosed by vorticity surfaces, i.e., surfaces of zero vorticity flux. Here, we also discuss so-called relative kinetic helicity, which is Galilean invariant when integrated over any region in the flow.

42 ENGINEERING↗

Floquet–Bloch manipulation of the Dirac gap in a topological antiferromagnet

Floquet–Bloch manipulation, achieved by driving a material periodically with a laser pulse, is a method that enables the engineering of electronic and magnetic phases in solids by effectively modifying the structure of their electronic bands. However, the application of Floquet–Bloch manipulation in topological magnetic systems, particularly those with inherent disorder, remains largely unexplored. Here, in this study, we realize Floquet–Bloch manipulation of the Dirac surface-state mass of the topological antiferromagnet MnBi 2 Te 4 . Using time- and angle-resolved photoemission spectroscopy, we show that opposite helicities of mid-infrared circularly polarized light result in substantially different Dirac mass gaps in the antiferromagnetic phase, despite the equilibrium Dirac cone being massless. We explain our findings in terms of a Dirac fermion with a random mass. Our results underscore Floquet–Bloch manipulation as a powerful tool for controlling topology, even in the presence of disorder, and for uncovering properties of materials that may elude conventional probes.

42 ENGINEERING↗

Bacterial microcompartment architectures as biomaterials for conversion of gaseous substrates

Bacterial microcompartments (BMCs) are protein shells encapsulating multiple enzymes of a metabolic pathway. Interpretations of early experiments on carboxysomes led to the narrative that transport of small gases (CO 2 , O 2 ) across the shell membrane is restricted. Since then, this notion has been largely contradicted by studies of engineered shells, although these shell constructs lack important proteins present in the native BMCs, altering the synthetic shells’ topology, surface and mechanical properties. Here, we discuss here an updated model of gas permeability that informs the design of engineered shells for catalysis on gas substrates and outline how nonshell suprastructures of BMC shell proteins could be used in formulating sustainable biomaterials for hydrogen generation via methane pyrolysis and for other greenhouse gas mitigations.

Bacterial microcompartment↗