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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

1D topological phases in transition-metal monochalcogenide nanowires

The Su–Schrieffer–Heeger (SSH) model is a prototypical one-dimensional (1D) diatomic lattice model for non-trivial topological phases and topological excitations. In theory, many variations and extensions of the SSH model have been proposed and explored to better understand the novel aspects of topological physics in low dimensions on the nanoscale. However, the outstanding challenge remains to find real nanomaterials with robust structural stability for realizing the 1D topological states. Here, we develop an extended version of the SSH model with multi-atomic bases of four, six and eight atoms and an imposed screw rotation symmetry. Furthermore, based on first-principles calculations, we demonstrate the realization of this model in transition metal monochalcogenide M 6 X 6 (M = Mo and W; X = S, Se and Te) nanowires. The topological features of the doped M 6 X 6 nanowires are confirmed with non-trivial edge modes and e/2 fractional charges, representative of the 1D non-trivial Zak phase. Our finding not only sheds new light on our fundamental understanding of 1D topological physics, but also significantly extends the scope of 1D topological materials that will attract immediate experimental interest, since isolated M 6 X 6 nanowires have already been synthesized in experiments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Tunable fragile topology in Floquet systems

We extend the notion of fragile topology to periodically driven systems. Here we demonstrate driving-induced fragile topology in two different models, namely, the Floquet honeycomb model and the Floquet π-flux square-lattice model. In both cases, we discover a rich phase diagram that includes Floquet fragile topological phases protected by crystalline rotation or mirror symmetries, Floquet Chern insulators, and trivial atomic phases, with distinct boundary features. Remarkably, the transitions between different phases can be feasibly achieved by simply tuning the driving amplitudes, which is a unique feature of driving-enabled topological phenomena. Moreover, corner-localized fractional charges are identified as a “smoking-gun” signal of fragile topology in our systems. Our work paves the way for studying and realizing fragile topology in Floquet systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

More exotic field theories in 3+1 dimensions

We continue the exploration of nonstandard continuum field theories related to fractons in 3+1 dimensions. Our theories exhibit exotic global and gauge symmetries, defects with restricted mobility, and interesting dualities. Depending on the model, the defects are the probe limits of either fractonic particles, strings, or strips. One of our models is the continuum limit of the plaquette Ising lattice model, which features an important role in the construction of the X-cube model.

Gorantla, Pranay↗
DOE OSTI2025

Advanced Modeling of Beam Physics and Performance Optimization for Nuclear Physics Colliders

High energy colliders provide a critical tool in nuclear physics study by probing the fundamental structure and dynamics of matter. To maximize the potential of scientific discovery in nuclear physics study, it is important to optimize the parameters of these colliders to attain the best performance. The performance of a collider is typically measured by its integrated luminosity of colliding beams since the probability of a new event is proportional to the integrated luminosity. However, the achievable luminosity is limited by the electromagnetic interactions (beam-beam effects) of two colliding beams at higher energy, and the interplay between the space-charge effects and the beam-beam effects at lower energy. To achieve the best performance of a collider means to attain the highest luminosity of the collider with optimized collider parameters. Optimizing the collider’s machine parameters is both computationally and experimentally expensive. A fast and robust computational framework including beam-beam and space-charge effects will be critical to attaining the best performance of the collider. In this project, we will study the beam dynamics challenges, specifically the interplay of the space-charge and the beam-beam effects, and the machine tuning models for maximizing the performance of RHIC experiments. We will develop an advanced modeling framework based on first-principles physical simulations, lattice models and the state-of-the-art machine learning methods and apply this framework to performance improvement of the RHIC in operation. We will build data manipulation packages to connect the simulation data and the experimental data with the framework, develop a self-consistent hybrid model of space-charge and beam-beam effects, study underlying physics mechanisms, build surrogate models using the labeled data, integrate the models into the advanced modeling framework, and apply the framework to RHIC luminosity (STAR and sPHENIX) optimization. The success of this project would substantially improve the performance of existing and future colliders and increase the opportunity for scientific discovery.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Disentangling quantum matter with measurements

Measurements destroy entanglement. Building on ideas used to study ‘quantum disentangled liquids,’ we explore the use of this effect to characterize states of matter. In this work, we focus on systems with multiple components, such as charge and spin in a Hubbard model or local moments and conduction electrons in a Kondo lattice model. In such systems, measurements of (a subset of) one of the components can leave behind a quantum state of the other that is easy to understand, for example in terms of scaling of entanglement entropy of subregions. We bound the outcome of this protocol, for any choice of measurement, in terms of more standard information-theoretic quantities. We apply this quantum disentangling protocol to several problems of physical interest, including gapless topological phases, heavy fermions, and scar states in the Hubbard model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1991

Forebody tangential blowing for control at high angles of attack

A feasibility study to determine if the use of tangential leading edge blowing over the forebody could produce effective and practical control of the F-18 HARV aircraft at high angles of attack was conducted. A simplified model of the F-18 configuration using a vortex-lattice model was developed to obtain a better understanding of basic aerodynamic coupling effects and the influence of forebody circulation on lifting surface behavior. The effect of tangential blowing was estimated using existing wind tunnel data on normal forebody blowing and analytical studies of tangential blowing over conical forebodies. Incorporation of forebody blowing into the flight control system was investigated by adding this additional yaw control and sideforce generating actuator into the existing F-18 HARV simulation model. A control law was synthesized using LQG design methods that would schedule blowing rates as a function of vehicle sideslip, angle of attack, and roll and yaw rates.

Kroo, I.↗
NASA NTRSDate not supplied

Flutter Analysis of the Transonic Truss-Braced Wing Aircraft Using Transonic Correction

This paper describes a flutter analysis method for the Transonic Truss-Braced Wing aircraft using a vortex lattice method coupled to an unsteady transonic correction method to account for unsteady aerodynamics in transonic flow. A steady-state vortex-lattice model of the Truss-Braced Wing aircraft is developed using vortex lattice code VSPAERO. A transonic and viscous flow correction method is implemented in the VSPAERO model to account for steady-state transonic and viscous flow effects using transonic small disturbance code TSFOIL coupled to an in-house integral boundary layer code. In addition, a wing-strut interference correction method is developed to account for the transonic interference aerodynamics in the strut juncture region using high-fidelity CFD code FUN3D. A structural dynamic finite-element model of the Truss-Braced Wing aircraft is developed using BEAM3D in-house finite-element code and is coupled to the VSPAERO. The BEAM3D model includes a geometric nonlinearity due to the tension in the strut which causes a deflection-dependent nonlinear stiffness. An unsteady transonic correction method is developed to better capture the unsteady aerodynamics in transonic flow. The unsteady transonic correction method makes use of the Theodorsen’s theory to account for the amplitude and phase shift of the unsteady lift coefficient in transonic flow. A preliminary flutter analysis of the Truss-Braced Wing aircraft is conduct to illustrate the unsteady transonic correction approach.

Nhan Nguyen↗
DOE OSTI2022

Interaction-expansion inchworm Monte Carlo solver for lattice and impurity models

Multiorbital quantum impurity models with general interaction and hybridization terms appear in a wide range of applications, including embedding, quantum transport, and nanoscience. However, most quantum impurity solvers are restricted to a few impurity orbitals, discretized baths, diagonal hybridizations, or density-density interactions. We generalize the inchworm quantum Monte Carlo method to the interaction expansion, and we explore its application to typical single- and multiorbital problems encountered in investigations of impurity and lattice models. Our implementation generically outperforms bare and bold-line quantum Monte Carlo algorithms in the interaction expansion. For the systems studied here, our implementation remains inferior to the more specialized hybridization expansion and auxiliary field algorithms. So, the problem of convergence to unphysical fixed points, which hampers so-called bold-line methods, is not encountered in inchworm Monte Carlo.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Theory of the Kitaev model in a [111] magnetic field

Recent numerical studies indicate that the antiferromagnetic Kitaev honeycomb lattice model undergoes a magnetic-field-induced quantum phase transition into a new spin-liquid phase. This intermediate-field phase has been previously characterized as a gapless spin liquid. By implementing a recently developed variational approach based on the exact fractionalized excitations of the zero-field model, we demonstrate that the field-induced spin liquid is gapped and belongs to Kitaev’s 16-fold way. Specifically, the low-field non-Abelian liquid with Chern number C = ±1 transitions into an Abelian liquid with C = ±4. The critical field and the field-dependent behaviors of key physical quantities are in good quantitative agreement with published numerical results. Furthermore, we derive an effective field theory for the field-induced critical point which readily explains the ostensibly gapless nature of the intermediate-field spin liquid.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Enhancing Lattice Kinetic Schemes for Fluid Dynamics with Lattice-Equivariant Neural Networks

A new class of equivariant neural networks is presented, hereby dubbed lattice-equivariant neural networks (LENNs), designed to satisfy local symmetries of a lattice structure. The approach develops within a recently introduced framework aimed at learning neural network-based surrogate models’ lattice Boltzmann collision operators. Whenever neural networks are employed to model physical systems, respecting symmetries and equivariance properties has been shown to be key for accuracy, numerical stability, and performance. Here, hinging on ideas from group representation theory, trainable layers are defined whose algebraic structure is equivariant with respect to the symmetries of the lattice cell. In this work, the presented method naturally allows for efficient implementations, in terms of both memory usage and computational costs, supporting scalable training/testing for lattices in two spatial dimensions and higher (in which the size of symmetry group grows). The approach is validated and tested considering 2D and 3D flowing dynamics, both in laminar and turbulent regimes. It is compared with group-averaged-based symmetric networks and with plain, nonsymmetric, networks, showing how the presented approach unlocks the (a posteriori) accuracy and training stability of the former models and the train/inference speed of the latter networks. (LENNs are about one order of magnitude faster than group-averaged networks in 3D.) The work in this paper opens toward practical use of machine learning-augmented lattice Boltzmann CFD in real-world simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Deformed spin- 1 2 square lattice in antiferromagnetic NaZnVOPO 4 ( HPO 4 )

In this work, we report the structural and magnetic properties of a new spin-$\frac{1}{2}$ antiferromagnet NaZnVOPO 4 (HPO 4 ) studied via x-ray diffraction, magnetic susceptibility, high-field magnetization, specific heat, and 31 P nuclear magnetic resonance (NMR) measurements, as well as density-functional band-structure calculations. While thermodynamic properties of this compound are well described by the J 1 – J 2 square-lattice model, ab initio calculations suggest a significant deformation of the spin lattice. From fits to the magnetic susceptibility we determine the averaged nearest-neighbor and second-neighbor exchange couplings of $\bar{J}$ 1 ≃ – 1.3 K and $\bar{J}$ 2 ≃ 5.6 K , respectively, resulting in the effective frustration ratio α = $\bar{J}$ 2 – $\bar{J}$ 1 ≃ – 4.3 that implies columnar antiferromagnetic order as the ground state. Experimental saturation field of 15.3 T is consistent with these estimates if 20% spatial anisotropy in J 1 is taken into account. Specific heat data signal the onset of a magnetic long-range order at T N ≃ 2.1 K , which is further supported by a sharp peak in the NMR spin-lattice relaxation rate. The NMR spectra mark the superposition of two P lines due to two nonequivalent P sites where the broad line with the strong hyperfine coupling and short T 1 is identified as the P(1) site located within the magnetic planes, while the narrow line with the weak hyperfine coupling and long T 1 is designated as the P(2) site located between the planes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRSDate not supplied

Study of Trailing Edge Mini Flaps Interactions on a Wind Tunnel Scale Aspect Ratio 13.5 Common Research Model

This paper presents a computation study of an aspect ratio 13.5 wind tunnel scale Common Research Model (CRM) with trailing edge mini-flaps. A vortex-lattice model of the CRM is developed with transonic small disturbance and integral boundary-layer corrections coupled with NASTRAN equivalent beam model for the rapid CRM aeroelastic simulation. The simulations are performed with individual trailing edge mini-flap deflected and a series of groups of two adjacent trailing edge mini-flaps deflected at the same time. A surrogate model is developed to estimate the aerodynamic interactions between the flaps. To validate the surrogate model, static aeroelastic simulations are performed using FUN3D CFD solver.

Interaction↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of 5 subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the 5 pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

Dim, Odera↗
DOE OSTI2023

Modeling and Simulation of Fuel Burnup in Pebble Bed Reactors

Modeling and simulation of fuel burnup plays important roles in reactor design, operation, safety, and security as well as nuclear material control and accounting (MC&A) [1]. This task is uniquely challenging for pebble bed reactors (PBR) because the pebbles are continuously added and recycled into the reactor core, and their paths through the core are random. To address this problem, we present two simulation models in this paper. Brookhaven National Laboratory (BNL) developed a simple lattice model of a PBR in Serpent software to generate used pebble isotopic concentrations. The benefit of using Serpent software in this specific application is that it helps streamline the data generation process without having to use too many independent software codes in combination to achieve a simple task. For example, transport, burnup and zero power decay can be implemented in a single pass. Three-dimensional core models were developed using Serpent to simulate the burnup process of five subject pebbles starting from fresh till they reach nearly target burnup, with each pebble placed in one of the five artificially designated radial channels to capture the changing neutron spectra along the core radius. Equilibrium isotopic concentrations were assumed in all other pebbles in the core. To provide a verification for the Serpent isotope transmutation and decay results, Oak Ridge National Laboratory (ORNL) performed simple SCALE/ORIGEN calculations using the average neutron spectra calculated by Serpent for each of the five pebbles. The 252-group neutron spectra from Serpent were then used by ORIGEN to produce the one-group library for depletion and decay calculations. The isotopic concentrations of a few nuclides of interest and neutron and gamma source terms produced from the ORIGEN calculations were compared with the ones from the Serpent calculations. The model simulated in this work was based on the Pebble Bed Modular Reactor (PBMR)-400 design because many data needed for the simulation such as core power profiles, fuel and reflector temperatures, and equilibrium core composition are publicly available. In this paper, we will compare the results between these two approaches and benchmark the results against a set of well-established simulation results for PBMR-400.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS1989

A Monte Carlo-finite element model for strain energy controlled microstructural evolution - 'Rafting' in superalloys

This paper presents a specialized microstructural lattice model, MCFET (Monte Carlo finite element technique), which simulates microstructural evolution in materials in which strain energy has an important role in determining morphology. The model is capable of accounting for externally applied stress, surface tension, misfit, elastic inhomogeneity, elastic anisotropy, and arbitrary temperatures. The MCFET analysis was found to compare well with the results of analytical calculations of the equilibrium morphologies of isolated particles in an infinite matrix.

Gayda, J.↗
DOE OSTI2024

Multipolar Skyrmion Crystals in Non-Kramers Doublet Systems

Here, we study the Kondo lattice model of multipolar magnetic moments interacting with conduction electrons on a triangular lattice. Bond-dependent electron hoppings induce a compasslike anisotropy in the effective Ruderman-Kittel-Kasuya-Yosida interaction between multipolar moments. This unique anisotropy stabilizes multipolar skyrmion crystals at zero magnetic field. In a unit cell, the skyrmion fractionalizes into meron composites subject to the conservation of total topological charge. Diverse multipolar phases in the phase diagram give rise to novel spontaneous Hall response of conduction electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Majorana chain and Ising model - (non-invertible) translations, anomalies, and emanant symmetries

We study the symmetries of closed Majorana chains in 1+1d, including the translation, fermion parity, spatial parity, and time-reversal symmetries. The algebra of the symmetry operators is realized projectively on the Hilbert space, signaling anomalies on the lattice, and constraining the long-distance behavior. In the special case of the free Hamiltonian (and small deformations thereof), the continuum limit is the 1+1d free Majorana CFT. Its continuum chiral fermion parity (-1)^{F_L} ( − 1 ) F L emanates from the lattice translation symmetry. We find a lattice precursor of its mod 8 ’t Hooft anomaly. Using a Jordan-Wigner transformation, we sum over the spin structures of the lattice model (a procedure known as the GSO projection), while carefully tracking the global symmetries. In the resulting bosonic model of Ising spins, the Majorana translation operator leads to a non-invertible lattice translation symmetry at the critical point. The non-invertible Kramers-Wannier duality operator of the continuum Ising CFT emanates from this non-invertible lattice translation of the transverse-field Ising model.

Physics↗
NASA NTRS1981

Equivalence of macroscopic and microscopic Griffith conditions for subcritical crack growth

Exact relations are derived for a simple bond-snapping model of fracture and numerical results from a previous work are presented. A lattice model with a nonlinear cohesive force law is then considered. In both cases, the results confirm the equivalence of the microscopic and macroscopic Griffith conditions. The Griffith stress intensity is to be identified with the quiescent stress intensity.

Esterling, D. M.↗