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At least 253 records · Page 14

Observation of photo-induced plasmon–phonon coupling in PbTe via ultrafast x-ray scattering

We report the observation of photo-induced plasmon–phonon coupled modes in the group IV–VI semiconductor PbTe using ultrafast x-ray diffuse scattering at the Linac Coherent Light Source. We measure the near-zone-center excited-state dispersion of the heavily screened longitudinal optical (LO) phonon branch as extracted from differential changes in x-ray diffuse scattering intensity following above bandgap photoexcitation. We suggest that upon photoexcitation, the LO phonon-plasmon coupled (LOPC) modes themselves become coupled to longitudinal acoustic modes that drive electron band shifts via acoustic deformation potentials and possibly to low-energy single-particle excitations within the plasma and that these couplings give rise to displacement-correlations that oscillate in time with a period given effectively by the heavily screened LOPC frequency.

36 MATERIALS SCIENCE↗

Numerical simulation of parametric resonance in point absorbers using a simplified model

Abstract Parametric resonance is a non‐linear phenomenon in which a system can oscillate at a frequency different from its exciting frequency. Some wave energy converters are prone to this phenomenon, which is usually detrimental to their performance. Here, a computationally efficient way of simulating parametric resonance in point absorbers is presented. The model is based on linear potential theory, so the wave forces are evaluated at the mean position of the body. However, the first‐order variation of the body's centres of gravity and buoyancy is taken into account. This gives essentially the same result as a more rigorous approach of keeping terms in the equation of motion up to second order in the body motions. The only difference from a linear model is the presence of non‐zero off‐diagonal elements in the mass matrix. The model is benchmarked against state‐of‐the‐art non‐linear Froude–Krylov and computational fluid dynamics models for free decay, regular wave, and focused wave group cases. It is shown that the simplified model is able to simulate parametric resonance in pitch to a reasonable accuracy even though no non‐linear wave forces are included. The simulation speed on a standard computer is up to two orders of magnitude faster than real time.

16 TIDAL AND WAVE POWER↗

Stochastic modeling of x-ray superfluorescence

An approach to modeling the dynamics of x-ray amplified spontaneous emission and superfluorescence, the phenomenon of collective x-ray emission initiated by intense pulses of x-ray free-electron lasers, is developed based on stochastic partial differential equations. The equations are derived from first principles, and the relevant approximations, derivation steps, and extensions specific to stimulated x-ray emission are presented. The resulting equations take the form of three-dimensional generalized Maxwell-Bloch equations augmented with noise terms for both field and atomic variables. The derived noise terms possess specific correlation properties that enable the correct reconstruction of spontaneous emission. Consequently, the developed theoretical formalism is universally suitable for describing all stages of stimulated x-ray emission: spontaneous emission, amplified spontaneous emission, and superfluorescence. Here, we present numerical examples that illustrate various properties of the emitted field, including spatiotemporal coherence and spectral-angular and polarization characteristics. We anticipate that the proposed theoretical framework will establish a robust foundation for interpreting measurements in stimulated x-ray emission spectroscopy, modeling x-ray laser oscillators, and describing other experiments leveraging x-ray superfluorescence.

74 ATOMIC AND MOLECULAR PHYSICS↗

Data-driven Distributed Learning of Multi-agent Systems: A Koopman Operator Approach

Koopman operator theory provides a model-free technique for studying nonlinear dynamical systems purely from data. Since the Koopman operator is infinite-dimensional, researchers have developed several methods that provide a finite-dimensional approximation of the Koopman operator so that it can be applied for practical use cases. One common thing with most of the methods is that their solutions are obtained by solving a centralized minimization problem. In this work, we treat the dynamical system to be a multi-agent system and propose an algorithm to compute the finite-dimensional approximation of the Koopman operator in a distributed manner using the knowledge of the topology of the underlying multi-agent system. The proposed distributed approach is shown to be equivalent to the centralized learning problem and results in a sparse Koopman whose block structure mimics the Laplacian of the multi-agent system. Extensive simulation studies illustrate the proposed framework on the network of oscillators and the IEEE 68 bus system.

Nandanoori, Sai Pushpak↗

Synchronizing the consistency relation

We study the N-point function of the density contrast to quadratic order in the squeezed limit during the matter-dominated (MD) and radiation-dominated (RD) eras in synchronous gauge. Since synchronous gauge follows the free-fall frame of observers, the equivalence principle dictates that in the gradient approximation for the long-wavelength mode there is only a single, manifestly time-independent consistency relation for the N-point function. This simple form is dictated by the initial mapping between synchronous and local coordinates, unlike Newtonian gauge and its correspondingly separate dilation and Newtonian consistency relations. Dynamical effects only appear at quadratic order in the squeezed limit and are again characterized by a change in the local background, also known as the separate universe approach. We show that for the 3-point function the compatibility between these squeezed-limit relations and second-order perturbation theory requires both the initial and dynamical contributions to match, as they do in single-field inflation. This clarifies the role of evolution or late-time projection effects in establishing the consistency relation for observable bispectra, which is especially important for radiation acoustic oscillations and for establishing consistency below the matter-radiation equality scale in the MD era. Defining an appropriate angle and time average of these oscillations is also important for making separate universe predictions of spatially varying local observables during the RD era, which can be useful for a wider range of cosmological predictions beyond N-point functions.

79 ASTRONOMY AND ASTROPHYSICS↗

Influence of pump laser fluence on ultrafast myoglobin structural dynamics

High-intensity femtosecond pulses from an X-ray free-electron laser enable pump–probe experiments for the investigation of electronic and nuclear changes during light-induced reactions. On timescales ranging from femtoseconds to milliseconds and for a variety of biological systems, time-resolved serial femtosecond crystallography (TR-SFX) has provided detailed structural data for light-induced isomerization, breakage or formation of chemical bonds and electron transfer. However, all ultrafast TR-SFX studies to date have employed such high pump laser energies that nominally several photons were absorbed per chromophore. As multiphoton absorption may force the protein response into non-physiological pathways, it is of great concern whether this experimental approach allows valid conclusions to be drawn vis-à-vis biologically relevant single-photon-induced reactions. Here we describe ultrafast pump–probe SFX experiments on the photodissociation of carboxymyoglobin, showing that different pump laser fluences yield markedly different results. In particular, the dynamics of structural changes and observed indicators of the mechanistically important coherent oscillations of the Fe–CO bond distance (predicted by recent quantum wavepacket dynamics) are seen to depend strongly on pump laser energy, in line with quantum chemical analysis. Our results confirm both the feasibility and necessity of performing ultrafast TR-SFX pump–probe experiments in the linear photoexcitation regime. We consider this to be a starting point for reassessing both the design and the interpretation of ultrafast TR-SFX pump–probe experiments such that mechanistically relevant insight emerges.

59 BASIC BIOLOGICAL SCIENCES↗

Recommendations on setup in simulating atmospheric gravity waves under conventionally neutral boundary layer conditions

Wind farm-induced atmospheric gravity waves have been the subject of recent research as they can impact wind farm performance. Pressure variations associated with gravity waves can contribute to the global blockage effect and wind farm wake recovery. Therefore, accurate numerical simulation of flow fields, where wind-farm-induced gravity waves may be produced, is important. Three main considerations in such simulations are the overall domain size, the use of Rayleigh damping near domain boundaries to dampen gravity waves, and advection damping at the inlet to prevent spurious oscillations. Often these considerations are treated ad hoc rather than systematically. This work aims to test and extend the systematic modelling of internal gravity waves proposed in a preliminary investigation to modelling of both internal and trapped gravity waves. The preliminary study identifies the length scales to set the domain and damping layer sizes and the time scale to configure the Rayleigh damping coefficient but under linearly stratified conditions. Large eddy simulations of flow through a wind farm canopy are performed under conventionally neutral boundary layer (CNBL) conditions to test the validity of proposed setups for CNBL conditions. Background atmospheric parameters, such as Froude number (Fr), inversion height (H i ), and inversion layer Froude number (Fr i ) control most of the atmospheric gravity wave characteristics. We validated for CBNL conditions that the effective wavelengths of the internal gravity waves are the correct length scale to configure the domain size and damping layer thickness. Likewise, the optimum damping coefficient to dampen the internal gravity waves relates to the free atmosphere's buoyancy frequency or buoyant perturbations' time scale. We infer that the damping coefficient in the inversion layer may relate to the inversion buoyancy frequency to effectively dampen the trapped gravity waves. Moreover, the advection damping length is linked to the horizontal wavelength of the trapped gravity waves in the inversion layer to prevent spurious waves at the inlet by retaining wave energy accumulation.

17 WIND ENERGY↗

Ocean Energy Systems Wave Energy Modeling Task 10.4: Numerical Modeling of a Fixed Oscillating Water Column

This paper reports on an ongoing international effort to establish guidelines for numerical modeling of wave energy converters, initiated by the International Energy Agency Technology Collaboration Program for Ocean Energy Systems. Initial results for point absorbers were presented in previous work, and here we present results for a breakwater-mounted Oscillating Water Column (OWC) device. The experimental model is at scale 1:4 relative to a full-scale installation in a water depth of 12.8 m. The power-extracting air turbine is modeled by an orifice plate of 1–2% of the internal chamber surface area. Measurements of chamber surface elevation, air flow through the orifice, and pressure difference across the orifice are compared with numerical calculations using both weakly-nonlinear potential flow theory and computational fluid dynamics. Both compressible- and incompressible-flow models are considered, and the effects of air compressibility are found to have a significant influence on the motion of the internal chamber surface. Recommendations are made for reducing uncertainties in future experimental campaigns, which are critical to enable firm conclusions to be drawn about the relative accuracy of the numerical models. It is well-known that boundary element method solutions of the linear potential flow problem (e.g., WAMIT) are singular at infinite frequency when panels are placed directly on the free surface. This is problematic for time-domain solutions where the value of the added mass matrix at infinite frequency is critical, especially for OWC chambers, which are modeled by zero-mass elements on the free surface. A straightforward rational procedure is described to replace ad-hoc solutions to this problem that have been proposed in the literature.

16 TIDAL AND WAVE POWER↗

Effects of Central Cut Width on the Dynamical Characteristics of Box Assembly Structure

An investigation into the Box Assembly with Removable Component (BARC) structure is conducted by utilizing computational simulations and experimental structural testing in order to determine the complex dynamical responses instigated by the central cut of the system. Because the dynamics of the BARC system is complex, this study focuses primarily on analyzing the behavior of the box assembly (BA) system. The investigation explores the dynamics of the BA system by varying the central cut widths, ranging from a cut as wide as 0.5” cut to a 0.25” cut system, as well as a 0.1” cut and a system with no cut at all. Experimental testing is performed on each system including a free vibration test using an impact hammer to excite and identify the dominant frequencies of each structure. This testing is followed by pseudo-random vibration tests and swept sinusoidal excitation tests to determine the nonlinear aspects of these systems, such as the possible existence of nonlinear softening, hardening, and/or damping. The results show that nonlinear softening and nonlinear damping are present in each system. The no-cut system demonstrated the highest peak frequencies throughout all the tests, being the most rigid structure. The 0.25” cut system was shown to have the highest peak frequencies among all the cut systems in both the finite elemenet analysis (FEA) and impact testing. This trend did not continue, though, in the random and harmonic testing, possibly due to the added stiffness of the test setup with the slip table and stinger. The results show the importance of accurately measuring the central cut width and how possible geometric uncertainties change the overall dynamical behaviors of complex systems, such as natural characteristics, nonlinear responses, coupling of modes, and oscillating amplitudes.

Padilla, Christopher (ORCID:000900033446732X)↗

Using Disorder to Overcome Disorder: A Mechanism for Frequency and Phase Synchronization of Diode Laser Arrays

Noise and disorder are known, in certain circumstances and for certain systems, to improve the level of coherence over that of the noise-free system. Examples include cases in which disorder enhances response to periodic signals, and those where it suppresses chaotic behavior. We report a new type of disorder-enhancing mechanism, observed in a model that describes the dynamics of external cavity-coupled semiconductor laser arrays, where disorder of one type mitigates (and overcomes) the desynchronization effects due to a different disorder source. Here, we demonstrate stabilization of dynamical states due to frequency locking and subsequently frequency locking-induced phase locking. Here, we have reduced the equations to a potential model that illustrates the mechanism behind the misalignment-induced frequency and phase synchronization.

42 ENGINEERING↗

A quadratic programming flux correction method for high-order DG discretizations of S transport

In this work, we present a new flux-fixup approach for arbitrarily high-order discontinuous Galerkin (DG) discretizations of the S N transport equation, and we demonstrate the compatibility of this approach with the Variable Eddington Factor (VEF) method. The new fixup approach is sweep-compatible: during a transport sweep (block Gauss-Seidel iteration in which the scattering source is lagged), a local quadratic programming (QP) problem is solved in each spatial element to ensure that the solution satisfies certain physical constraints, including local particle balance. In this paper, we describe two choices of physical constraints, resulting in two variants of the method: QP Zero (QPZ) and QP Maximum Principle (QPMP). In QPZ, the finite element coefficients of the solution are constrained to be nonnegative. In QPMP, they are constrained to adhere to an approximate discrete maximum principle. There are two primary takeaways in this paper. First, when the positive Bernstein basis is used for DG discretization, the QPMP method eliminates negativities, preserves high-order accuracy for smooth problems, and significantly dampens unphysical oscillations in the solution. The latter feature – the dampening of unphysical oscillations – is an improvement upon standard, simpler fixup approaches such as the approach described in (denoted as the “zero and rescale” (ZR) method in this paper). This improvement comes at a moderate computational cost, but it is not prohibitive. Our results show that, even in an unrealistic worst-case scenario where 83% of the spatial elements require a fixup, the computational cost of performing a transport sweep with fixup is only ~31% greater than performing one without fixup. The second takeaway is that the VEF method can be used to accelerate the convergence of transport sweeps even when a fixup is applied. When optically thick regions are present, transport sweeps converge slowly, regardless of whether a fixup is applied, and acceleration is needed. However, attempting to apply standard diffusion synthetic acceleration (DSA) to fixed-up transport sweeps results in divergence for optically thick problems. Our results show that the same is not true for VEF. When VEF is combined with fixed-up transport sweeps, the result is a scheme that produces a nonnegative solution, converges independently of the mean free path, and, in the case of the QPMP fixup, adheres to an approximate discrete maximum principle.

97 MATHEMATICS AND COMPUTING↗

Radiation-Hardened GaN HEMT and Cell Design, Modeling, and Fabrication for Nuclear Instrumentation Applications

Recent advances in nuclear power generation technologies show great promise for efficient, safe generation of carbon-free power in the near future. Consequently, many new generation reactor designs are being pursued by government and industry groups, including both fission- and fusion-based technologies. Radiation- and temperature-tolerant sensor technology continues to advance, yet development of the electronics/instrumentation technologies suitable for these environments have fallen behind. Industry has adequately addressed harsh environment electronics needs for low earth orbit satellites, but the much more extreme conditions associated with electronics placed near or in a reactor core remain unaddressed. This project investigates the use of gallium nitride (GaN) circuit technology to address the unique needs for sensor interface electronics and communications in reactor environments. This report provides a summary of the first year’s project activities related to developing and optimizing devices and circuits for this GaN high electronic mobility transistor (HEMT) process. Activities reported include multiple analog and digital circuit designs simulated using custom Verilog-A models generated from measured GaN devices fabricated in the target process. Digital circuit designs included fundamental logic circuits such as an inverter, NAND, NOR, AND and OR gates, as well as a 5-stage ring oscillator. Each design was simulated using an open-source SPICE simulator, and an integrated circuit layout was produced of each design for use in future fabrication. Analog circuit designs focused on the fundamental building blocks to be used to construct sensor interface and communications circuits. These included current mirrors, matched differential pairs, and a Gilbert cell mixer design, each with an associated integrated circuit layout. Layout tools used for these designs included two open-source packages—KLayout and Magic—which were customized for specific use with the OSU GaN process layers. Design rules and preliminary device extraction capabilities were built for the Magic tool to enable device extraction and subsequent netlist generation for SPICE simulation. Finally, future research directions for year two are summarized. When the year-two directions are implemented, the project will be in position to advance the state of the art in electronics for near- or in-reactor sensor interfacing and communications.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Extended Lagrangian Born–Oppenheimer molecular dynamics using a Krylov subspace approximation

It is shown how the electronic equations of motion in extended Lagrangian Born–Oppenheimer molecular dynamics simulations can be integrated using low-rank approximations of the inverse Jacobian kernel. This kernel determines the metric tensor in the harmonic oscillator extension of the Lagrangian that drives the evolution of the electronic degrees of freedom. The proposed kernel approximation is derived from a pseudoinverse of a low-rank estimate of the Jacobian, which is expressed in terms of a generalized set of directional derivatives with directions that are given from a Krylov subspace approximation. The approach allows a tunable and adaptive approximation that can take advantage of efficient preconditioning techniques. The proposed kernel approximation for the integration of the electronic equations of motion makes it possible to apply extended Lagrangian first-principles molecular dynamics simulations to a broader range of problems, including reactive chemical systems with numerically sensitive and unsteady charge solutions. This can be achieved without requiring exact full calculations of the inverse Jacobian kernel in each time step or relying on iterative non-linear self-consistent field optimization of the electronic ground state prior to the force evaluations as in regular direct Born–Oppenheimer molecular dynamics. We note the low-rank approximation of the Jacobian is directly related to Broyden’s class of quasi-Newton algorithms and Jacobian-free Newton–Krylov methods and provides a complementary formulation for the solution of nonlinear systems of equations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NUMERICAL CALCULATION OF LOSSES OF TRAPPED VORTICES UNDER STRONG RF MEISSNER CURRENT AND DC SUPERHEATING FIELD IN TYPE II SUPERCONDUCTORS

Research on the vortex dynamics and enhancing of superheating field in superconductors has attracted much attention in accelerator physics community to develop next-generation high-performance accelerator cavities. However, the extreme dynamics of curvilinear elastic vortices driven by very strong currents close to the depairing limit or superheating field of a superconductor with a nanostructured surface has not been well understood. We calculated the superheating field Hsh and critical momentum kc characterizing the wavelength of the instability ?m of the Meissner state to flux penetration by solving numerically the Ginzburg?Landau equations. A bulk superconductor, superconductor with the inhomogeneous surface disorder (S-S), and multilayered surface (S-I-S) have been thoroughly investigated in this work. Our result showed that S-S and S-I-S structures can enhance the superheating field well above their clean limit. In this work extensive numerical simulation of the power dissipated by an oscillating vortex segment driven by the surface ac Meissner currents was performed. Our simulations take into account the nonlinear vortex line tension, vortex mass, Bardeen?Stephen viscous vortex drag applicable at low fields, and nonlinear Larkin-Ovchinnikov (LO) viscous drag coefficient ?(v) at high fields and pinning force. We showed that the LO decrease of ?(v) with the vortex velocity v could radically change the field dependence of the surface resistance Ri(H) caused by trapped vortices. At low frequencies Ri(H) exhibits a conventional increase with H. However, as frequency increases, the surface resistance becomes a nonmonotonic function of H which decreases with H at higher fields irrespective of the pinning distribution. Overheating can mask the descending field dependence of Ri(H) as frequency increases. Our numerical simulations also show that the LO effect can cause a vortex bending instability at high field amplitudes and frequencies, giving rise to the formation of dynamic kinks along with the vortex when a vortex is pinned strongly to one end. Nonlinear losses of trapped vortices in thick films under high-amplitude RF fields as functions of frequency, mean free path and pinning characteristics have been calculated.

Pathirana, Walive↗

DESI 2024 VI: cosmological constraints from the measurements of baryon acoustic oscillations

We present cosmological results from the measurement of baryon acoustic oscillations (BAO) in galaxy, quasar and Lyman-α forest tracers from the first year of observations from the Dark Energy Spectroscopic Instrument (DESI), to be released in the DESI Data Release 1. DESI BAO provide robust measurements of the transverse comoving distance and Hubble rate, or their combination, relative to the sound horizon, in seven redshift bins from over 6 million extragalactic objects in the redshift range 0.1 < z < 4.2. To mitigate confirmation bias, a blind analysis was implemented to measure the BAO scales. DESI BAO data alone are consistent with the standard flat ΛCDM cosmological model with a matter density Ω m =0.295±0.015. Paired with a baryon density prior from Big Bang Nucleosynthesis and the robustly measured acoustic angular scale from the cosmic microwave background (CMB), DESI requires H 0 =(68.52±0.62) km s -1 Mpc -1 . In conjunction with CMB anisotropies from Planck and CMB lensing data from Planck and ACT, we find Ω m =0.307± 0.005 and H 0 =(67.97±0.38) km s -1 Mpc -1 . Extending the baseline model with a constant dark energy equation of state parameter w, DESI BAO alone requirew=-0.99 +0.15 -0.13 . In models with a time-varying dark energy equation of state parametrised by w 0 and w a , combinations of DESI with CMB or with type Ia supernovae (SN Ia) individually prefer w 0 > -1 and w a < 0. This preference is 2.6σ for the DESI+CMB combination, and persists or grows when SN Ia are added in, giving results discrepant with the ΛCDM model at the 2.5σ, 3.5σ or 3.9σ levels for the addition of the Pantheon+, Union3, or DES-SN5YR supernova datasets respectively. For the flat ΛCDM model with the sum of neutrino mass ∑ m ν free, combining the DESI and CMB data yields an upper limit ∑ m ν < 0.072 (0.113) eV at 95% confidence for a ∑ m ν > 0 (∑ m ν > 0.059) eV prior. These neutrino-mass constraints are substantially relaxed if the background dynamics are allowed to deviate from flat ΛCDM.

79 ASTRONOMY AND ASTROPHYSICS↗

Mechanism of Mesoscale Woodpile Development via Photoelectrochemical Deposition of Se–Te

A combination of experiments and optical modeling provided insight into the mechanism of mesoscale woodpile formation in response to an orthogonal shift in polarization during photoelectrochemical deposition of Se–Te. Cathodic deposition of semiconducting Se–Te using spatially uniform, linearly polarized illumination produced arrays of lamellae that were aligned parallel to the optical E-field oscillation. Continued deposition in conjunction with an orthogonal shift in the polarization direction then produced aligned bridging features that spanned the void space between, and were orthogonal to, the preexisting lamellae. The height and pitch, respectively, in each layer of the woodpile were a function of the charge density and illumination wavelength during deposition. A Monte Carlo model, in which material addition was scaled by the absorption magnitude obtained from electromagnetic simulations, produced morphologies that were nominally identical to those observed experimentally. Here, the formation of mesoscale woodpiles is consistent with a mechanism that involves a series of spontaneously initiated, concerted light–matter interactions during the photoelectrochemical deposition process.

absorption↗

Probing Physics beyond the Standard Model through Combined Analyses of Next-generation Type Ia Supernova, Cosmic Microwave Background, and Baryon Acoustic Oscillation Surveys

Observations of Type Ia supernovae (SNe Ia), which probe the late Universe, together with baryon acoustic oscillations (BAO) and the cosmic microwave background (CMB), which probe the intermediate and early epochs, provide complementary constraints on the expansion history of the Universe. In this work, we forecast constraints on dark energy and other extensions to the standard cosmological model by combining the SN Ia sample expected from the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST), data from current and forthcoming CMB surveys, and BAO measurements from the Dark Energy Spectroscopic Instrument (DESI). For the CMB, we use temperature, polarization, and lensing power spectra (TT/EE/TE/ϕϕ) from the South Pole Telescope, the planned Advanced Simons Observatory, and a CMB-S4–like experiment. We derive constraints on ΛCDM and its extensions involving the dark energy equation-of-state parameters (w 0 , w a ) and the sum of neutrino masses ∑m ν using a Markov Chain Monte Carlo (MCMC) sampling framework. We find that the LSST Year 3 SN Ia sample can improve upon the DES Year 5 dark energy constraints by a factor of 2−2.5×, with the gains driven primarily by the significantly higher SN Ia density in the LSST sample. Similarly, DESI-DR3 shows up to a 1.8× improvement on dark energy parameters over DR2, driven largely by the substantial increase in the low-redshift sample. Combining CMB with LSST-Y3-SN Ia and DESI-DR3-BAO yields σ(w 0 ) = 0.028 and σ(w a ) = 0.11 for w 0 w a CDM cosmology with the results being largely independent of the CMB dataset. The constraints weaken by 10%–30% when freeing ∑m ν and spatial curvature. Moreover, the joint analysis of the three datasets can enable a 2σ–3σ detection of ∑m ν .

Raghunathan, Srinivasan [University of California;↗