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At least 829 records · Page 46

Atomic Layer Deposition for Enhanced Light Confinement in Nonlinear Metasurfaces

Metasurfaces enable the generation of strong nonlinear signals, with nanoantenna resonances significantly enhancing the nonlinear response through tailored light–matter interactions. Commonly used nonlinear materials, such as lithium niobate and other similar crystals, have relatively moderate refractive indices, limiting their ability to achieve the strong mode localization attainable with high-refractive-index materials like silicon. Here, we report on enhancing mode confinement in nonlinear metasurfaces by employing conformal coatings of titania with atomic layer deposition (ALD). We develop a low-temperature ALD that enables the augmentation of resonances in materials that cannot withstand high-temperature processing, including polymers. We report on the design of a metasurface incorporating a nonlinear crystal and an ALD coating, achieving enhanced mode localization through this approach in the near-infrared wavelength range. We numerically demonstrate a significant enhancement in second-harmonic generation in the designed metasurface, achieved by optimizing the thickness of the ALD coating for the telecommunication wavelength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Data-driven simultaneous process optimization and adsorbent selection for vacuum pressure swing adsorption

Technologies for post-combustion carbon capture are essential for the reduction of greenhouse gas emissions to the atmosphere. However, they are still associated with high costs and energy consumption. Intensified processes for carbon capture have the potential to overcome these challenges due to their higher efficiency, lower capital cost, and increased operational flexibility. Here, this work investigates simultaneous optimization of process conditions and adsorbent selection for a modular Vacuum Pressure-Swing Adsorption system designed for CO 2 capture. Both surrogate-based Nonlinear Programming and Mixed-Integer Nonlinear Programming approaches are applied and compared in terms of computational efficiency and solution accuracy. Moreover, process performance results are examined by applying several data analytics techniques to gain insights into the material-process correlations. Data-driven classifiers and neural networks can accurately predict whether a material is likely to satisfy purity, recovery, and energy constraints when operated at optimal process conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Studies with spike initiators - Linearization by noise allows continuous signal modulation in neural networks

It is shown that noise can be an important element in the translation of neuronal generator potentials (summed inputs) to neuronal spike trains (outputs), creating or expanding a range of amplitudes over which the spike rate is proportional to the generator potential amplitude. Noise converts the basically nonlinear operation of a spike initiator into a nearly linear modulation process. This linearization effect of noise is examined in a simple intuitive model of a static threshold and in a more realistic computer simulation of spike initiator based on the Hodgkin-Huxley (HH) model. The results are qualitatively similar; in each case larger noise amplitude results in a larger range of nearly linear modulation. The computer simulation of the HH model with noise shows linear and nonlinear features that were earlier observed in spike data obtained from the VIIIth nerve of the bullfrog. This suggests that these features can be explained in terms of spike initiator properties, and it also suggests that the HH model may be useful for representing basic spike initiator properties in vertebrates.

Yu, Xiaolong↗

Linear and nonlinear trending and prediction for AVHRR time series data

The variability of AVHRR calibration coefficient in time was analyzed using algorithms of linear and non-linear time series analysis. Specifically we have used the spline trend modeling, autoregressive process analysis, incremental neural network learning algorithm and redundancy functional testing. The analysis performed on available AVHRR data sets revealed that (1) the calibration data have nonlinear dependencies, (2) the calibration data depend strongly on the target temperature, (3) both calibration coefficients and the temperature time series can be modeled, in the first approximation, as autonomous dynamical systems, (4) the high frequency residuals of the analyzed data sets can be best modeled as an autoregressive process of the 10th degree. We have dealt with a nonlinear identification problem and the problem of noise filtering (data smoothing). The system identification and filtering are significant problems for AVHRR data sets. The algorithms outlined in this study can be used for the future EOS missions. Prediction and smoothing algorithms for time series of calibration data provide a functional characterization of the data. Those algorithms can be particularly useful when calibration data are incomplete or sparse.

Smid, J.↗

Simulations of non-integer upconversion in resonant six-wave scattering

Resonant upconversion through a sixth order relativistic nonlinearity resulting in a unique resonance was recently proposed [Malkin and Fisch, Phys. Rev. E 108, 045208 (2023)]. The high order resonance is a unique non-integer multiple of a driving pump frequency resulting in a frequency upshift by a factor of ≈3.73. We demonstrate the presence, unique requirements, and growth of this mode numerically. Through tuning waves to high amplitude, in a mildly underdense plasma, the six-photon process may grow more than other non-resonant but lower order processes. The growth of the high frequency mode remains below the nonlinear growth regime. However, extending current numerical results to more strongly coupled resonances with longer pulse propagation distances suggests a pathway to significant upconversion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

GDSA PFLOTRAN Development (FY2021)

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PFLOTRAN Development FY2021

The Spent Fuel & Waste Science and Technology (SFWST) Campaign of the U.S. Department of Energy (DOE) Office of Nuclear Energy (NE), Office of Spent Fuel & Waste Disposition (SFWD) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high-level nuclear waste (HLW). A high priority for SFWST disposal R&D is to develop a disposal system modeling and analysis capability for valuating disposal system performance for nuclear waste in geologic media. This report describes fiscal year (FY) 2021 advances of the PFLOTRAN Development group of the SFWST Campaign. The mission of this group is to develop a geologic disposal system modeling capability for nuclear waste that can be used to probabilistically assess the performance of generic disposal concepts. In FY 2021, development proceeded along three main thrusts: software infrastructure, code performance, and process model advancement. Software infrastructure improvements included implementing an Agile software development framework and making improvements to the QA Test Suite. Code performance improvements included development of advanced linear and nonlinear solvers as well as design of flexible smoothing algorithms for capillary pressure functions. Process modeling advancements included the addition of flexible thermal conductivity function definitions and refinement of multi-continuum reactive transport to support Sandia’s participation in DECOVALEX. This report fulfills the GDSA PFLOTRAN Development Work Package Level 3 Milestone – PFLOTRAN Development, FY2021, M3SF-21SN010304072.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Nonlinear response - A time domain approach

The present paper reviews the basic concepts of nonlinear response of panels to surface flow and acoustic pressures, simulation of random processes, time domain solutions and the Monte Carlo Method. Applications of this procedure to the orbit-on-demand space vehicles, acoustic fatigue and composite materials are discussed. Numerical examples are included for a variety of nonlinear problems to illustrate the applicability of this method.

Vaicaitis, R.↗

Model-Based Engine Control Architecture with an Extended Kalman Filter

This paper discusses the design and implementation of an extended Kalman filter (EKF) for model-based engine control (MBEC). Previously proposed MBEC architectures feature an optimal tuner Kalman Filter (OTKF) to produce estimates of both unmeasured engine parameters and estimates for the health of the engine. The success of this approach relies on the accuracy of the linear model and the ability of the optimal tuner to update its tuner estimates based on only a few sensors. Advances in computer processing are making it possible to replace the piece-wise linear model, developed off-line, with an on-board nonlinear model running in real-time. This will reduce the estimation errors associated with the linearization process, and is typically referred to as an extended Kalman filter. The non-linear extended Kalman filter approach is applied to the Commercial Modular Aero-Propulsion System Simulation 40,000 (C-MAPSS40k) and compared to the previously proposed MBEC architecture. The results show that the EKF reduces the estimation error, especially during transient operation.

engine control↗

An intercomparison of plasma turbulence at three comets: Grigg-Skjellerup, Giacobini-Zinner, and Halley

The power laws are approximately f(exp -1.9), f(exp -1.9), and f(exp -2.1) respectively for the Grigg-Shjellerup (GS), Giacobini-Zinner (GZ), and Halley (H) comets. Other than similarities in the power spectra, the magnetic field turbulence is considerably different at the three comets. Phase steepening is demonstrated to occur at the trailing edges of the GS waves. This is probably due to nonlinear steepening plus dispersion of the left-hand mode components, i.e., the turbulence is whistler-mode. This too can be explained by nonlinear steepening plus dispersion of the magnetosonic waves. At the level of GS and GZ turbulence development when the spacecraft measurements were made, classical three-wave processes, such as the decay or modulation instabilities do not appear to play important roles. It is most likely that the nonlinear steepening and dispersive time scales are more rapid than three-wave processes, and the latter had not had time to develop for the relatively new turbulence. The wave turbulence at Halley is linearly polarized. The exact nature of this turbulence is still not well understood. Several possibilities are suggested, based on a preliminary analyses.

Tsurutani, Bruce T.↗

An intercomparison of plasma turbulence at three comets: Grigg-Skjellerup, Giacobini-Zinner, and Halley

We examine and intercompare the LF plasma wave turbulence at three comets: Grigg-Skjellerup (GS), Giacobini-Zinner (GZ), and Halley (H). All three have power spectral peaks at the local ion cyclotron frequency (the pump wave) at approx. 10(exp -2) Hz, and a power-law fall-off at higher frequencies that suggest the development of turbulent cascades. The power laws for the three comets are approximately f(exp -1.9), f(exp -1.9) and f(exp -2.1), respectively. However, other than the similarities in the power spectra, we find the magnetic field turbulence is considerably different at the three comets. Phase steepening is demonstrated to occur at the trailing edges of the GS waves. This is probably due to nonlinear steepening plus dispersion of the left-hand mode components. A coherency analysis of GZ turbulence indicates that it is primarily composed of righthanded mode components, i.e., the turbulence is 'whistlermode.' This too can be explained by nonlinear steepening plus dispersion of the magnetosonic waves. At the level of GS and GZ turbulence development when the spacecraft measurements were made, classical three-wave processes, such as the decay or modulation instabilities do not appear to play important roles. It is most likely that the nonlinear steepening and dispersive time scales are more rapid than three-wave processes, and the latter had not had time to develop for the relatively 'new' turbulence. The wave turbulence at Halley is linearly polarized. The exact nature of this turbulence is still not well understood at this time. Several possibilities are suggested, based on our preliminary analyses.

Tsurutani, Bruce T.↗

Nonlinear evolution of protostellar disks and light modulations in young stellar objects

An evolutionary model of dynamical processes in protostellar disks is described and illustrated with graphs of typical results. The effective transport mechanisms are discussed, including thermal convection, nonaxisymmetric gravitational instabilities in the outer regions of disks, and wave propagation. Consideration is then given to the stages of dynamical evolution, FU Ori outburst phenomena, unsteady accretion-disk flows, and nonlinear feedback as a mechanism to modulate mass transfer. The simulations show that mass redistribution is determined by angular-momentum transfer, which in turn is regulated by the effective viscosity generated by convectively driven turbulence. Significant mass transfer occurs as a result of mixing of infalling material with disk gas and is affected by the tidal torque associated with the growth of nonaxisymmetric disturbances in the outer disk. The time scale for disk evolution is found to be about 1 Myr.

Lin, D. N. C.↗

Self-compression of laser pulses in a discrete medium

Using the discrete nonlinear Schrödinger equation, we study the laser radiation self-action dynamics in a nanostructured waveguide system. It is shown that for a laser pulse energy exceeding the critical value, the nonlinear evolution of the wave field markedly differs from the corresponding process in a continuous medium. While the pulse propagates in a discrete medium, its length decreases to values comparable to the scale of the structure and the velocity decreases to zero. The system parameters are determined at which the wave field after the laser pulse termination begins to propagate in the opposite direction in a compressed form. The process of slowing down and stopping the pulse is accompanied by strong radiation losses, so that about a third of the energy of the initial field distribution remains in the final compressed state. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High-entropy 1D halide perovskite piezoelectrics found by megalibrary synthesis and rapid nonlinear optical screening

Piezoelectric molecular crystals offer excellent compositional and structural tunability and sustainable processability. However, their discovery is slow, primarily due to the serial synthesis and screening processes used. Here, we report an approach that combines massively parallel megalibrary synthesis with scanning second harmonic generation (SHG) microscopy for rapid screening of piezoelectric molecular crystals. Megalibraries consisting of more than 1,000,000 compositionally distinct but positionally encoded TMCM x TMA (1–x) Cd y Pb (1–y) ClzBr (3–z) (TMCM: trimethylchloromethylammonium, TMA: tetramethylammonium; 0 ≤ x ≤ 1, 0 ≤ y ≤ 1, 0 ≤ z ≤ 3) nanocrystals were synthesized. The megalibraries were rapidly screened by SHG microscopy to identify notable noncentrosymmetric structures, which were then tested for piezoelectricity, facilitating discovery of a high-entropy noncentrosymmetric material with a large d 33 (TMCM 0.75 TMA 0.25 Cd 0.75 Pb 0.25 Cl 1.5 Br 1.5 , 42.8 picocoulombs per newton). Furthermore, this approach enabled systematic investigation of the Curie temperature (T C )–composition relationship in the TMCMCdCl z Br (3–z) system, facilitating reverse design of materials with targeted T C . Our work establishes a powerful approach to accelerate the discovery and design of unusual piezoelectrics for next-generation electronics and optics.

Li, Jun [Northwestern University, Evanston, IL (Un↗

Photoconversion in Disordered Semiconductors: Spatial, Spectral, and Temporal Insights through Nonlinear Microscopy (Final Technical Report)

Conversion of solar photons to useable energy requires two processes to occur successfully in a light-harvesting material: 1) the initial photoexcited state must efficiently produce excited states that are free to move, and 2) those states must be transported to a new location where they can do useful work before any potential is lost as heat. The core focus of this project examined the spatial and energetic dynamics of these two primary events of photoconversion in solution-processed semiconducting materials. The electronic properties of these systems are complex and strongly influenced by the cumulative interaction of local morphology and composition, along with defects, interfaces, and trap sites. It is therefore important to interrogate these systems at the local level, where structural and compositional heterogeneity can be precisely correlated to variation in functionality. Utilizing ultrafast laser spectroscopy coupled together with optical microscopy, this project examined how excited states and free charges spatially and energetically evolve on length scales between 10 nanometers and 10 microns and on timescales from 50 femtoseconds to 1 nanosecond. Insights gained from measurements made on these characteristic length and time scales provided new insight into how macroscopic functionality in disordered photovoltaic materials emerges from the interplay of nanoscale and mesoscale interactions.

14 SOLAR ENERGY↗

Nonlinear Multiobjective MPC-Based Optimal Operation of a High Consistency Refining System in Papermaking

As one of the most important unit in the papermaking industry, the high consistency (HC) refining system is confronted with challenges such as improving pulp quality, energy saving, and emissions reduction in its operation processes. Here in this correspondence, an optimal operation of HC refining system is presented using nonlinear multiobjective model predictive control strategies that aim at set-point tracking objective of pulp quality, economic objective, and specific energy (SE) consumption objective, respectively. First, a set of input and output data at different times are employed to construct the subprocess model of the state process model for the HC refining system, and then the Wiener-type model can be obtained through combining the mechanism model of Canadian Standard Freeness and the state process model that determines their structures based on Akaike information criterion. Second, the multiobjective optimization strategy that optimizes both the set-point tracking objective of pulp quality and SE consumption is proposed simultaneously, which uses NSGA-II approach to obtain the Pareto optimal set. Furthermore, targeting at the set-point tracking objective of pulp quality, economic objective, and SE consumption objective, the sequential quadratic programming method is utilized to produce the optimal predictive controllers. In conclusion, the simulation results demonstrate that the proposed methods can make the HC refining system provide a better performance of set-point tracking of pulp quality when these predictive controllers are employed. In addition, while the optimal predictive controllers orienting with comprehensive economic objective and SE consumption objective, it has been shown that they have significantly reduced the energy consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Rao-Blackwellization for Adaptive Gaussian Sum Nonlinear Model Propagation

When dealing with imperfect data and general models of dynamic systems, the best estimate is always sought in the presence of uncertainty or unknown parameters. In many cases, as the first attempt, the Extended Kalman filter (EKF) provides sufficient solutions to handling issues arising from nonlinear and non-Gaussian estimation problems. But these issues may lead unacceptable performance and even divergence. In order to accurately capture the nonlinearities of most real-world dynamic systems, advanced filtering methods have been created to reduce filter divergence while enhancing performance. Approaches, such as Gaussian sum filtering, grid based Bayesian methods and particle filters are well-known examples of advanced methods used to represent and recursively reproduce an approximation to the state probability density function (pdf). Some of these filtering methods were conceptually developed years before their widespread uses were realized. Advanced nonlinear filtering methods currently benefit from the computing advancements in computational speeds, memory, and parallel processing. Grid based methods, multiple-model approaches and Gaussian sum filtering are numerical solutions that take advantage of different state coordinates or multiple-model methods that reduced the amount of approximations used. Choosing an efficient grid is very difficult for multi-dimensional state spaces, and oftentimes expensive computations must be done at each point. For the original Gaussian sum filter, a weighted sum of Gaussian density functions approximates the pdf but suffers at the update step for the individual component weight selections. In order to improve upon the original Gaussian sum filter, Ref. [2] introduces a weight update approach at the filter propagation stage instead of the measurement update stage. This weight update is performed by minimizing the integral square difference between the true forecast pdf and its Gaussian sum approximation. By adaptively updating each component weight during the nonlinear propagation stage an approximation of the true pdf can be successfully reconstructed. Particle filtering (PF) methods have gained popularity recently for solving nonlinear estimation problems due to their straightforward approach and the processing capabilities mentioned above. The basic concept behind PF is to represent any pdf as a set of random samples. As the number of samples increases, they will theoretically converge to the exact, equivalent representation of the desired pdf. When the estimated qth moment is needed, the samples are used for its construction allowing further analysis of the pdf characteristics. However, filter performance deteriorates as the dimension of the state vector increases. To overcome this problem Ref. [5] applies a marginalization technique for PF methods, decreasing complexity of the system to one linear and another nonlinear state estimation problem. The marginalization theory was originally developed by Rao and Blackwell independently. According to Ref. [6] it improves any given estimator under every convex loss function. The improvement comes from calculating a conditional expected value, often involving integrating out a supportive statistic. In other words, Rao-Blackwellization allows for smaller but separate computations to be carried out while reaching the main objective of the estimator. In the case of improving an estimator's variance, any supporting statistic can be removed and its variance determined. Next, any other information that dependents on the supporting statistic is found along with its respective variance. A new approach is developed here by utilizing the strengths of the adaptive Gaussian sum propagation in Ref. [2] and a marginalization approach used for PF methods found in Ref. [7]. In the following sections a modified filtering approach is presented based on a special state-space model within nonlinear systems to reduce the dimensionality of the optimization problem in Ref. [2]. First, the adaptive Gaussian sum propagation is explained and then the new marginalized adaptive Gaussian sum propagation is derived. Finally, an example simulation is presented.

state estimation↗

Nonlinear evolution of high frequency R-mode waves excited by water group ions near comets - Computer experiments

An ion beam resonates with R-mode waves at a high-frequency RH mode and a low-frequency RL mode. The nonlinear evolution of ion beam-generated RH waves is studied here by one-dimensional hybrid computer experiments. Both wave-particle and subsequent wave-wave interactions are examined. The competing process among coexisting RH and RL mode beam instabilities and repeated decay instabilities triggered by the beam-excited RH mode waves is clarified. It is found that the quenching of the RH instability is not caused by a thermal spreading of the ion beam, but by the nonlinear wave-wave coupling process. The growing RH waves become unstable against the decay instability. This instability involves a backward-traveling RH electromagnetic wave and a forward-traveling longitudinal sound wave. The inverse cascading process is found to occur faster than the growth of the RL mode. Wave spectra decaying from the RH waves weaken as time elapses and the RL mode waves become dominant at the end of the computer experiment.

Kojima, H.↗