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At least 613 records · Page 34

The Schwinger-Keldysh coset construction

The coset construction is a tool for systematically building low energy effective actions for Nambu-Goldstone modes. This technique is typically used to compute time-ordered correlators appropriate for S-matrix computations for systems in their ground state. In this paper, we extend this technique to the Schwinger-Keldysh formalism, which enables one to calculate a wider variety of correlators and applies also to systems in a mixed state. We focus our attention on internal symmetries and demonstrate that, after identifying the appropriate symmetry breaking pattern, Schwinger-Keldysh effective actions for Nambu-Goldstone modes can be constructed using the standard rules of the coset construction. Particular emphasis is placed on the thermal state and ensuring that correlators satisfy the KMS relation. We also discuss explicitly the power counting scheme underlying our effective actions. We comment on the similarities and differences between our approach and others that have previously appeared in the literature. In particular, our prescription does not require the introduction of additional “diffusive” symmetries and retains the full non-linear structure generated by the coset construction. We conclude with a series of explicit examples, including a computation of the finite-temperature two-point functions of conserved spin currents in non-relativistic paramagnets, antiferromagnets, and ferromagnets. Along the way, we also clarify the discrete symmetries that set antiferromagnets apart from ferromagnets, and point out that the dynamical KMS symmetry must be implemented in different ways in these two systems.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

HHL algorithm with mapping function and enhanced sampling for model predictive control in microgrids

Here, this paper presents a refined quantum Harrow Hassidim Lloyd (HHL) algorithm for microgrid control. The first novelty of the developed method is that a mapping shift function enables the original HHL algorithm to handle general linear equations with non-singular and indefinite matrix. Second, a method of Matrix Extension for Amplifying Sampling Probabilities of Intended Solution (ME-ASPI) is proposed to design the reformulated linear algebraic equations, allowing for improved sampling efficiency of the quantum tomography in the refined HHL algorithm. Then, we applied the method to solve the model predictive control (MPC) problem in nonlinear dynamical microgrids. Specifically, with the ME-ASPI method, the refined HHL algorithm can effectively obtain the intended partial optimal control inputs for MPC. The optimization of quadratic programming problem in each time step of MPC is transformed into a linear system problem, which is addressed by the proposed quantum solver through using only partial information, with the time complexity improved from $\mathscr{O}(\mathscr{N}^{2.37286})$ classically to $\mathscr{O}(\mathscr{N}^{2} log \mathscr{N}$ x $p$ log $p)$ in quantum. Numerical examples have validated the effectiveness of the refined HHL algorithm with the proposed mapping function and the ME-ASPI method. By leveraging quantum properties, the proposed method provides a hybrid quantum–classical framework for microgrid control. This generic method can also potentially tackle many other challenges in analyzing and controlling general complex engineered systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Geometric phase in coupled cluster theory

It has been well-established that the topography around conical intersections between excited electronic states is incorrectly described by coupled cluster and many other single reference theories (the intersections are “defective”). Despite this, we show both analytically and numerically that the geometric phase effect (GPE) is correctly reproduced upon traversing a path around a defective excited-state conical intersection (CI) in coupled cluster theory. The theoretical analysis is carried out by using a non-Hermitian generalization of the linear vibronic coupling approach. Interestingly, the approach qualitatively explains the characteristic (incorrect) shape of the defective CIs and CI seams. Moreover, the validity of the approach and the presence of the GPE indicate that defective CIs are local (and not global) artifacts. This implies that a sufficiently accurate coupled cluster method could predict nuclear dynamics, including geometric phase effects, as long as the nuclear wavepacket never gets too close to the conical intersections.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using extended MHD to explore lasers as a trigger for x-pinches

X-pinches have been shown to be a source of extremely intense x-ray emissions useful for diagnosing plasma dynamics and imaging biological objects. The most striking feature of an x-pinch is the hotspot, the point source from where all the x rays come from. Unfortunately, the exact timing and location of the hotspot are still unpredictable. Since an x-pinch hotspot forms from instabilities (like an m = 0 mode), we will computationally explore whether we can use a high-power laser to control the timing and location of these instabilities. Our goal is to reduce the temporal and spatial jitter associated with the x-ray burst. Using an extended MHD (XMHD) code, we explore the non-relativistic instability generation using a current profile of a 250 kA linear transformer driver system and laser characteristics of SLAC's Matter in Extreme Conditions laboratory. Our results include both laser-penetration results using a boundary-defined electromagnetic (EM) wave and instability results from a power-deposition method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Kinetics and mechanism of light-induced phase separation in a mixed-halide perovskite

Halide ion phase separation is a barrier to the application of mixed-halide perovskites, whereby the presence of large populations of photo-generated or injected carriers causes undesirable changes in the local band gap. Here, we investigate the mechanism of phase separation in CsPbI x Br 3-x perovskite single crystals driven by light. The phase separation process and its dynamics are visualized at the nanometer scale at cryogenic temperatures using in-situ scanning transmission electron microscopy and cathodoluminescence. Combined with phase field modeling that accounts for the coupling between electronic and chemical driving forces, our observations point to a spinodal decomposition mechanism in which both the amplitude of composition fluctuation and the characteristic length scale grow non-linearly with time. Our findings provide microscopic insights that can assist in further engineering mixed-halide perovskites either for stability or for intentional programming of the local halide ion composition, opening pathways to a wide range of applications.

36 MATERIALS SCIENCE↗

Shallow and Deep Latent Heating Modes Over Tropical Oceans Observed with TRMM PR Spectral Latent Heating Data

The global hydrological cycle is central to the Earth's climate system, with rainfall and the physics of its formation acting as the key links in the cycle. Two-thirds of global rainfall occurs in the Tropics. Associated with this rainfall is a vast amount of heat, which is known as latent heat. It arises mainly due to the phase change of water vapor condensing into liquid droplets; three-fourths of the total heat energy available to the Earth's atmosphere comes from tropical rainfall. In addition, fresh water provided by tropical rainfall and its variability exerts a large impact upon the structure and motions of the upper ocean layer. Three-dimensional distributions of latent heating estimated from Tropical Rainfall Measuring Mission Precipitation Radar (TRMM PR)utilizing the Spectral Latent Heating (SLH) algorithm are analyzed. Mass-weighted and vertically integrated latent heating averaged over the tropical oceans is estimated as approx.72.6 J/s (approx.2.51 mm/day), and that over tropical land is approx.73.7 J/s (approx.2.55 mm/day), for 30degN-30degS. It is shown that non-drizzle precipitation over tropical and subtropical oceans consists of two dominant modes of rainfall systems, deep systems and congestus. A rough estimate of shallow mode contribution against the total heating is about 46.7 % for the average tropical oceans, which is substantially larger than 23.7 % over tropical land. While cumulus congestus heating linearly correlates with the SST, deep mode is dynamically bounded by large-scale subsidence. It is notable that substantial amount of rain, as large as 2.38 mm day-1 in average, is brought from congestus clouds under the large-scale subsiding circulation. It is also notable that even in the region with SST warmer than 28 oC, large-scale subsidence effectively suppresses the deep convection, remaining the heating by congestus clouds. Our results support that the entrainment of mid-to-lower-tropospheric dry air, which accompanies the large-scale subsidence is the major factor suppressing the deep convection. Therefore, representation of the realistic entrainment is very important for proper reproduction of precipitation distribution and resultant large-scale circulation.

Takayabu, Yukari N.↗

Aging phenomena in the two-dimensional complex Ginzburg-Landau equation

The complex Ginzburg-Landau equation with additive noise is a stochastic partial differential equation that describes a remarkably wide range of physical systems which include coupled non-linear oscillators subject to external noise near a Hopf bifurcation instability and spontaneous structure formation in non-equilibrium systems, e.g., in cyclically competing populations or oscillatory chemical reactions. Here, we employ a finite-difference method to numerically solve the noisy complex Ginzburg-Landau equation on a two-dimensional domain with the goal to investigate its non-equilibrium dynamics when the system is quenched into the “defocusing spiral quadrant”. We observe slow coarsening dynamics as oppositely charged topological defects annihilate each other, and characterize the ensuing aging scaling behavior. We conclude that the physical aging features in this system are governed by non-universal aging scaling exponents. We also investigate systems with control parameters residing in the “focusing quadrant”, and identify slow aging kinetics in that regime as well. Finally, we provide heuristic criteria for the existence of slow coarsening dynamics and physical aging behavior in the complex Ginzburg-Landau equation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Efficient and Optimal Attitude Determination Using Recursive Global Positioning System Signal Operations

In this paper, a new and efficient algorithm is developed for attitude determination from Global Positioning System signals. The new algorithm is derived from a generalized nonlinear predictive filter for nonlinear systems. This uses a one time-step ahead approach to propagate a simple kinematics model for attitude determination. The advantages of the new algorithm over previously developed methods include: it provides optimal attitudes even for coplanar baseline configurations; it guarantees convergence even for poor initial conditions; it is a non-iterative algorithm; and it is computationally efficient. These advantages clearly make the new algorithm well suited to on-board applications. The performance of the new algorithm is tested on a dynamic hardware simulator. Results indicate that the new algorithm accurately estimates the attitude of a moving vehicle, and provides robust attitude estimates even when other methods, such as a linearized least-squares approach, fail due to poor initial starting conditions.

Crassidis, John L.↗

Solid Rocket Motor Combustion Instability Modeling in COMSOL Multiphysics

Combustion instability modeling of Solid Rocket Motors (SRM) remains a topic of active research. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process, acoustics, and steady-state gas dynamics. Recent advances in defining the energy transport of disturbances within steady flow-fields have been applied by combustion stability modelers to improve the analysis framework. Employing this more accurate global energy balance requires a higher fidelity model of the SRM flow-field and acoustic mode shapes. The current industry standard analysis tool utilizes a one dimensional analysis of the time dependent fluid dynamics along with a quasi-three dimensional propellant grain regression model to determine the SRM ballistics. The code then couples with another application that calculates the eigenvalues of the one dimensional homogenous wave equation. The mean flow parameters and acoustic normal modes are coupled to evaluate the stability theory developed and popularized by Culick. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The current study employs the COMSOL Multiphysics finite element framework to model the steady flow-field parameters and acoustic normal modes of a generic SRM. This work builds upon previous efforts to verify the use of the acoustic velocity potential equation (AVPE) laid out by Campos. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, del squared psi - (lambda/c) squared psi - M x [M x del((del)(psi))] - 2((lambda)(M)/c + M x del(M) x (del)(psi) - 2(lambda)(psi)[M x del(1/c)] = 0. with M as the Mach vector, c as the speed of sound, and λ as the complex eigenvalue. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluates the gas flow inside of a SRM using St. Robert's law to model the solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are verified by comparing the pertinent ballistics parameters with the industry standard code outputs (i.e. pressure drop, axial velocity, exit velocity). These results are then used by the coefficient form of the mathematics module to determine the complex eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. The one way coupled analysis is perform four times utilizing geometries determined through traditional SRM modeling procedures. The results of the steady-state CFD and AVPE analyses are used to calculate the linear acoustic growth rate as is defined by Flandro and Jacob. In order to verify the process implemented within COMSOL we first employ the Culick theory and compare the results with the industry standard. After the process is verified, the Flandro/Jacob energy balance theory is employed and results displayed.

Fischbach, S. R.↗

Solution of Ordinary Differential Equations in Gradient-Based Multidisciplinary Design Optimization

A gradient-based approach to multidisciplinary design optimization enables efficient scalability to large numbers of design variables. However, the need for derivatives causes difficulties when integrating ordinary differential equations (ODEs) in models. To simplify this, we propose the use of the general linear methods framework, which unifies all Runge-Kutta and linear multistep methods. This approach enables rapid implementation of integration methods without the need to differentiate each one, even in a gradient-based optimization context. We also develop a new parallel time integration algorithm that enables vectorization across time steps. We present a set of benchmarking results using a stiff ODE, a non-stiff nonlinear ODE, and an orbital dynamics ODE, and compare integration methods. In a modular gradient-based multidisciplinary design optimization context, we find that the new parallel time integration algorithm with high-order implicit methods, especially Gauss-Legendre collocation, is the best choice for a broad range of problems.

Hwang, John T.↗

Stagnation Point Convective Heating Correlations for Entry Into H2/He Atmospheres

New convective heating correlations have been developed over a broad range of entry conditions into H2/He atmospheres. The correlations are based on calculations of stagnation point convective heat fluxes over a large range of velocities, densities, and effective nose radii. The heat fluxes and corresponding flowfields are computed using NASA’s hypersonic computational fluid dynamics code, DPLR. Cases in this study have been computed using both a temperaturelimited, radiative equilibrium wall and a cold wall temperature boundary condition. The results for the scaled heat flux, as a function of the difference in freestream and wall enthalpies, show a clear deviation from the linear trend predicted by the method of Sutton and Graves. Therefore, updated non-linear correlations are proposed for the prediction of stagnation point convective heat fluxes. Generally, these updated correlations predict lower heat loads and therefore smaller required TPS thicknesses when compared to previous correlations for a range of test cases in the Neptune, Saturn, and Uranus atmospheres.

Alex T. Carroll↗

Low-temperature spin dynamics in the TmFeO 3 orthoferrite with a non-Kramers ion

We investigate the magnetic dynamics of the orthorhombic perovskite TmFeO 3 at low temperatures, below the spin reorientation transition at TSR≈80 K, by means of time-of-flight neutron spectroscopy. We find that the magnetic excitation spectrum combines two emergent collective modes associated with different magnetic sublattices. The Fe subsystem orders below TN~632 K into a canted antiferromagnetic structure and exhibits sharp, high-energy magnon excitations. We describe them using linear spin-wave theory, and reveal a pronounced anisotropy between in- and out-of-plane exchange interactions, which was mainly neglected in previous reports on the spin dynamics in orthoferrites. At lower energies, we find two crystalline electrical field (CEF) excitations of Tm3+ ions at energies of ~2 and 5 meV. In contrast to the sister compound YbFeO 3 , where the Yb 3+ ions form quasi-one-dimensional chains along the c axis, the Tm excitations show dispersion along both directions in the (0KL) scattering plane. Analysis of the neutron scattering polarization factor reveals a longitudinal polarization of the 2 meV excitation. To evaluate the effect of the CEF on the Tm 3+ ions, we perform point-charge model calculations, and their results quantitatively capture the main features of Tm single-ion physics, such as energies, intensities, and polarization of the CEF transitions, and the type of magnetic anisotropy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ordering Unstructured Meshes for Sparse Matrix Computations on Leading Parallel Systems

The ability of computers to solve hitherto intractable problems and simulate complex processes using mathematical models makes them an indispensable part of modern science and engineering. Computer simulations of large-scale realistic applications usually require solving a set of non-linear partial differential equations (PDES) over a finite region. For example, one thrust area in the DOE Grand Challenge projects is to design future accelerators such as the SpaHation Neutron Source (SNS). Our colleagues at SLAC need to model complex RFQ cavities with large aspect ratios. Unstructured grids are currently used to resolve the small features in a large computational domain; dynamic mesh adaptation will be added in the future for additional efficiency. The PDEs for electromagnetics are discretized by the FEM method, which leads to a generalized eigenvalue problem Kx = AMx, where K and M are the stiffness and mass matrices, and are very sparse. In a typical cavity model, the number of degrees of freedom is about one million. For such large eigenproblems, direct solution techniques quickly reach the memory limits. Instead, the most widely-used methods are Krylov subspace methods, such as Lanczos or Jacobi-Davidson. In all the Krylov-based algorithms, sparse matrix-vector multiplication (SPMV) must be performed repeatedly. Therefore, the efficiency of SPMV usually determines the eigensolver speed. SPMV is also one of the most heavily used kernels in large-scale numerical simulations.

Oliker, Leonid↗

Stagnation Point Convective Heating Correlations for Entry Into H2/He Atmospheres

New convective heating correlations have been developed over a broad range of entry conditions into H2/He atmospheres. The correlations are based on calculations of stagnation point convective heat fluxes over a large range of velocities, densities, and effective nose radii. The heat fluxes and corresponding flow fields are computed using NASA’s hypersonic computational fluid dynamics code, DPLR. Cases in this study have been computed using both a temperature limited, radiative equilibrium wall and a cold wall temperature boundary condition. The results for the scaled heat flux, as a function of the difference in freestream and wall enthalpies, show a clear deviation from the linear trend predicted by the method of Sutton and Graves. Therefore, updated non-linear correlations are proposed for the prediction of stagnation point convective heat fluxes. Generally, these updated correlations predict lower heat loads and therefore smaller required TPS thicknesses when compared to previous correlations for a range of test cases in the Neptune, Saturn, and Uranus atmospheres.

Alex T. Carroll↗

Structural basis of RNA conformational switching in the transcriptional regulator 7SK RNP

7SK non-coding RNA (7SK) negatively regulates RNA polymerase II (RNA Pol II) elongation by inhibiting positive transcription elongation factor b (P-TEFb), and its ribonucleoprotein complex (RNP) is hijacked by HIV-1 for viral transcription and replication. Methylphosphate capping enzyme (MePCE) and La-related protein 7 (Larp7) constitutively associate with 7SK to form a core RNP, while P-TEFb and other proteins dynamically assemble to form different complexes. Here, we present the cryo-EM structures of 7SK core RNP formed with two 7SK conformations, circular and linear, and uncover a common RNA-dependent MePCE-Larp7 complex. Further, together with NMR, biochemical, and cellular data, these structures reveal the mechanism of MePCE catalytic inactivation in the core RNP, unexpected interactions between Larp7 and RNA that facilitate a role as an RNP chaperone, and that MePCE-7SK-Larp7 core RNP serves as a scaffold for switching between different 7SK conformations essential for RNP assembly and regulation of P-TEFb sequestration and release.

59 BASIC BIOLOGICAL SCIENCES↗

Scaling of ionic conductance in a fluctuating single-layer nanoporous membrane

Abstract Single-layer membranes have emerged as promising candidates for applications requiring high transport rates due to their low resistance to molecular transport. Owing to their atomically thin structure, these membranes experience significant microscopic fluctuations, emphasizing the need to explore their impact on ion transport processes. In this study, we investigate the effects of membrane fluctuations on the elementary scaling behavior of ion conductance $$G$$ G as a function of ion concentration $$c_{0}$$ c 0 , represented as $$G = \beta c_{0}^{\alpha }$$ G = β c 0 α , using molecular dynamics simulations. Our findings reveal that membrane fluctuations not only alter the conductance coefficient $$\beta$$ β but also the power-law exponent $$\alpha$$ α . We identify two distinct frequency regimes of membrane fluctuations, GHz-scale and THz-scale fluctuations, and examine their roles in conductance scaling. Furthermore, we demonstrate that the alteration of conductance scaling arises from the non-linearity between ion conductance and membrane shape. This work provides a fundamental understanding of ion transport in fluctuating membranes.

42 ENGINEERING↗

Stability and pulsation of the first dark stars

ABSTRACT The first bright objects to form in the Universe might not have been ‘ordinary’ fusion-powered stars, but ‘dark stars’ (DSs) powered by the annihilation of dark matter (DM) in the form of weakly interacting massive particles (WIMPs). If discovered, DSs can provide a unique laboratory to test DM models. DSs are born with a mass of the order of M⊙ and may grow to a few million solar masses; in this work we investigate the properties of early DSs with masses up to $\sim \! 1000 \, \mathrm{ M}_\odot$, fueled by WIMPS weighing 100 GeV. We improve the previous implementation of the DM energy source into the stellar evolution code mesa. We show that the growth of DSs is not limited by astrophysical effects: DSs up to $\sim \!1000 \, \mathrm{ M}_{\odot }$ exhibit no dynamical instabilities; DSs are not subject to mass-loss driven by super-Eddington winds. We test the assumption of previous work that the injected energy per WIMP annihilation is constant throughout the star; relaxing this assumption does not change the properties of the DSs. Furthermore, we study DS pulsations, for the first time investigating non-adiabatic pulsation modes, using the linear pulsation code gyre. We find that acoustic modes in DSs of masses smaller than $\sim \! 200 \, \mathrm{ M}_\odot$ are excited by the κ − γ and γ mechanism in layers where hydrogen or helium is (partially) ionized. Moreover, we show that the mass-loss rates potentially induced by pulsations are negligible compared to the accretion rates.

79 ASTRONOMY AND ASTROPHYSICS↗

Large Scale Turbulent Structures in Supersonic Jets

Jet noise is a major concern in the design of commercial aircraft. Studies by various researchers suggest that aerodynamic noise is a major contributor to jet noise. Some of these studies indicate that most of the aerodynamic jet noise due to turbulent mixing occurs when there is a rapid variation in turbulent structure, i.e. rapidly growing or decaying vortices. The objective of this research was to simulate a compressible round jet to study the non-linear evolution of vortices and the resulting acoustic radiations. In particular, to understand the effect of turbulence structure on the noise. An ideal technique to study this problem is Direct Numerical Simulations (DNS), because it provides precise control on the initial and boundary conditions that lead to the turbulent structures studied. It also provides complete 3-dimensional time dependent data. Since the dynamics of a temporally evolving jet are not greatly different from those of a spatially evolving jet, a temporal jet problem was solved, using periodicity in the direction of the jet axis. This enables the application of Fourier spectral methods in the streamwise direction. Physically this means that turbulent structures in the jet are repeated in successive downstream cells instead of being gradually modified downstream into a jet plume. The DNS jet simulation helps us understand the various turbulent scales and mechanisms of turbulence generation in the evolution of a compressible round jet. These accurate flow solutions will be used in future research to estimate near-field acoustic radiation by computing the total outward flux across a surface and determine how it is related to the evolution of the turbulent solutions. Furthermore, these simulations allow us to investigate the sensitivity of acoustic radiations to inlet/boundary conditions, with possible appli(,a- tion to active noise suppression. In addition, the data generated can be used to compute, various turbulence quantities such as mean velocities, turbulent stresses, etc. which will aid in turbulence modeling. This report will be presented in two chapters. The first chapter describes some work on the linear stability of a supersonic round jet and the implications of this for the jet noise problem. The second chapter is an extensive discussion of numerical work using the spectral method which we use to solve the compressible Navier-Stokes equations to study turbulent jet flows. The method uses Fourier expansions in the azimuthal and streamwise direction and a 1-D B-spline basis representation in the radial direction. The B-spline basis is locally supported and this ensures block diagonal matrix equations which can be solved in O(N) steps. This is a modification of a boundary layer code developed by Robert Moser. A very accurate highly resolved DNS of a turbulent jet flow is produced.

Rao, Ram Mohan↗