Cooperative Noncovalent Interactions Induce Ion Pair Separation in Diphenylsilanides
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As the electrical grid integrates more variable renewable energy sources such as wind and solar, the demand for distributed and flexible systems to address this increased variability becomes critical. Nuclear-driven microgrids provide a promising solution by offering stable generation to complement intermittent renewables, ensuring grid reliability and operating efficiency. This paper proposes a recurrent deep reinforcement learning framework for optimal economic dispatch in a nuclear-powered microgrid integrating renewable energy sources, small modular reactors, battery storage systems, and balance-of-plant dynamics. A three-agent control architecture is developed, where demand and renewable energy agents act as forecasters, and a reinforcement learning-based dispatch agent performs real-time energy allocation. A nonlinear programming formulation is first used to generate an optimal baseline for benchmarking. The proposed dispatch controller, based on Proximal Policy Optimization enhanced with Long Short-Term Memory networks, exploits temporal correlations in system dynamics by taking advantage of the time series used as inputs to improve policy robustness under uncertainty. Comparative analysis against established deep reinforcement learning methods, including Proximal Policy Optimization with a feedforward architecture, Soft Actor-Critic, and Twin Delayed Deep Deterministic Policy Gradient, demonstrates superior performance. Numerical results indicate that the proposed controller achieves a 0.39% cost reduction relative to the nonlinear programming benchmark and outperforms other learning-based methods by generating additional revenue of up to 0.35%. All reinforcement learning controllers compute dispatch actions in less than 0.3 s, resulting in a computational speedup of more than three orders of magnitude over the nonlinear programming baseline. The findings of this paper highlight their applicability for real-time operation and control in nuclear-integrated microgrids under volatile operating conditions.
DNA nucleobase sequence controls the size of DNA-stabilized silver clusters, leading to their well-known yet little understood sequence-tuned colors. The enormous space of possible DNA sequences for templating clusters has challenged the understanding of how sequence selects cluster properties and has limited the design of applications that employ these clusters. Here, we investigate the genomic role of DNA sequence for fluorescent silver clusters using a data-driven approach. Employing rapid parallel silver cluster synthesis and fluorimetry, we determine the fluorescence spectra of silver cluster products stabilized by 1432 distinct DNA oligomers. By applying pattern recognition algorithms to this large experimental data set, we discover certain DNA base patterns, or “motifs,” that correlate to silver clusters with similar fluorescence spectra. These motifs are employed in machine learning classifiers to predictively design DNA template sequences for specific fluorescence color bands. Our method improves selectivity of templates by 330% for silver clusters with peak emission wavelengths beyond 660 nm. The discovered base motifs also provide physical insights into how DNA sequence controls silver cluster size and color. Finally, this predictive design approach for color of DNA-stabilized silver clusters exhibits the potential of machine learning and data mining to increase the precision and efficiency of nanomaterials design, even for a soft-matter-inorganic hybrid system characterized by an extremely large parameter space.
One of the defining characteristics of a solar flare is the impulsive formation of very high temperature plasma. The properties of the thermal emission are not well understood, however, and the analysis of solar flare observations is often predicated on the assumption that the flare plasma is isothermal. The EUV Variability Experiment (EVE) on the Solar Dynamics Observatory provides spectrally resolved observations of emission lines that span a wide range of temperatures (e.g., Fe XV-Fe XXIV) and allow for thermal flare plasma to be studied in detail. In this paper we describe a method for computing the differential emission measure distribution in a flare using EVE observations and apply it to several representative events. We find that in all phases of the flare the differential emission measure distribution is broad. Comparisons of EVE spectra with calculations based on parameters derived from the Geostationary Operational Environmental Satellites soft X-ray fluxes indicate that the isothermal approximation is generally a poor representation of the thermal structure of a flare.
The method of weighted residuals (MWR) in the form of a modified Galerkin method with trigonometric basis functions is used to compute the transmission of sound in an axisymmetric duct. The method is used to generate the axial wave number for uniform ducts. These are compared with exact solutions generated by a formal eigenvalue routine in the hard-wall case and a Runge-Kutta integration eigenvalue scheme in the soft-wall case. The method is applicable to both flow and no-flow cases.
A three-dimensional nacelle acoustics code that accounts for uniform mean flow and variable surface impedance liners is developed. The code is linked to a commercial version of the NASA-developed General Purpose Solver (for solution of linear systems of equations) in order to obtain the capability to study high frequency waves that may require millions of grid points for resolution. Detailed, single-processor statistics for the performance of the solver in rigid and soft-wall ducts are presented. Over the range of frequencies of current interest in nacelle liner research, noise attenuation levels predicted from the code were in excellent agreement with those predicted from mode theory. The equation solver is memory efficient, requiring only a small fraction of the memory available on modern computers. As an application, the code is combined with an optimization algorithm and used to reduce the impedance spectrum of a ceramic liner. The primary problem with using the code to perform optimization studies at frequencies above I1kHz is the excessive CPU time (a major portion of which is matrix assembly). The research recommends that research be directed toward development of a rapid sparse assembler and exploitation of the multiprocessor capability of the solver to further reduce CPU time.
Highlights: • Theoretical framework to identify optimal multilayers for high x-ray reflectivity. • Perovskite oxide multilayers are proposed as soft x-ray mirrors. • High soft x-ray reflectivity up to 33% are expected in perovskite multilayers. - Abstract: We propose multilayers of perovskite and related ternary oxides with a general formula of ABO{sub 3} as high reflectivity mirrors, especially for use in water window region (2.3–4.4 nm). The high reflectivity combinations of oxide multilayers were deduced using evolutionary search algorithms such as genetic algorithms, and the calculation speed was accelerated via parallel computing methods We also propose a figure of merit for X-ray reflectivity in periodic multilayers systems, which can simplify the future efforts on identifying material combinations, and the search through this multi-dimensional parameter space. The highest reflectivity value was found to be over 33% at 3.1 nm in the water window region. The effect of interface roughness was simulated and the decrease in reflectivity was found to be modest for practically achievable roughness values. This work establishes the foundation for future experimental and theoretical studies towards achieving high reflectivity x-ray mirrors of complex oxide multilayers.
The past several years have witnessed important developments in the QCD theory of jet production and jet substructure in hadronic collisions. In the framework of soft-collinear effective theory, semi-inclusive jet functions and semi-inclusive fragmenting jet functions have allowed us to combine higher order calculations with resummation of potentially large logarithms of the jet radius, ln R. Very recently, the semi-inclusive jet functions for partons fragmenting into heavy flavor jets were computed by Dai, Kim and Leibovich. In this paper we show how the formalism can be extended to c-jet and b-jet production in heavy ion collisions. The semi-inclusive jet functions for heavy flavor jets in a QCD medium are evaluated up to the next-to-leading order in αs and first order in opacity. For phenomenological applications, we also consider the inclusion of the cold nuclear matter effects and the jet energy dissipation due to collisional interactions in matter. We present the numerical predictions for the cross sections and the corresponding nuclear modification factors in proton-nucleus and nucleus-nucleus collisions and compare our results to data from the Large Hadron Collider.
The study of macromolecular systems may require large computer simulations that are too time consuming and resource intensive to execute in full atomic detail. The integral equation coarse-graining approach by Guenza and co-workers enables the exploration of longer time and spatial scales without sacrificing thermodynamic consistency, by approximating collections of atoms using analytically-derived soft-sphere potentials. Because coarse-grained (CG) characterizations evolve polymer systems far more efficiently than the corresponding united atom (UA) descriptions, we can feasibly equilibrate a CG system to a reasonable geometry, then transform back to the UA description for a more complete equilibration. Automating the transformation between the two different representations simultaneously exploits CG efficiency and UA accuracy. By iteratively mapping back and forth between CG and UA, we can quickly guide the simulation towards a configuration that would have taken many more time steps within the UA representation alone. Accomplishing this feat requires a diligent workflow for managing input/output coordinate data between the different steps, deriving the potential at runtime, and inspecting convergence. Here in this article, we present a lightweight workflow environment that accomplishes such fast equilibration without user intervention. The workflow supports automated mapping between the CG and UA descriptions in an iterative, scalable, and customizable manner. We describe this technique, examine its feasibility, and analyze its correctness.
Wearable thermoregulatory technologies have attracted widespread attention because of their potential for impacting individual physiological comfort and for reducing building energy consumption. Within this context, the study of materials and systems that can merge the advantageous characteristics of both active and passive operating modes has proven particularly attractive. Accordingly, our laboratory has drawn inspiration from the appearance-changing skin of Loliginidae (inshore squids) for the introduction of a unique class of dynamic thermoregulatory composite materials with outstanding figures of merit. Herein, we demonstrate a straightforward approach for experimentally controlling and computationally predicting the adaptive infrared properties of such bioinspired composites, thereby enabling the development and validation of robust structure–function relationships for the composites. Our findings may help unlock the potential of not only the described materials but also comparable systems for applications as varied as thermoregulatory wearables, food packaging, infrared camouflage, soft robotics, and biomedical sensing.
Purpose: To compare and analyze two novel algorithms for the assessment of modulation transfer functions (MTFs) of computed tomography (CT) systems using a simple acrylic cylindrical phantom Method and Materials: Images of the acrylic cylindrical phantom were acquired by a GE LightSpeed 16 RT (GE Healthcare, Milwaukee, WI) using 120 kVp, 330 mA, 2.5 mm slice thickness, 10 cm field-of view (FOV), four reconstruction kernels (e.g. standard, soft, detail, bone, and lung). Two different algorithms were used to analyze images for MTF assessment. First, Richard et al. suggested a task-based MTF assessment method through an edge spread function (ESF) which described pixel intensities as a function of distance from the center. The MTF was obtained as the absolute value of Fourier transform of the differentiated ESF. Second, Ohkubo et al. devised an effective method to determine the point spread function (PSF) of CT system accompanied with verification. The line spread function (LSF), which was the one-dimensional integration of the PSF, was used to obtain the MTF. We validated the reliability of two above-mentioned methods through the comparison with a conventional method using a thin tungsten wire phantom. Results: The measured MTFs by two methods were mostly similar each other for standard, soft, and detail kernels. In 0.6 lp/mm, the MTF difference between two methods were 0.012(standard), 0.004(soft), and 0.037(detail). They also coincided with the MTF by the conventional method well. However, there were considerable distinctions for bone and lung kernels containing edge enhancement that might cause undershoots near the peak of the LSF. Conclusions: We compared two novel methods to assess task-based MTFs for clinical CT systems especially using a simple acrylic cylindrical phantom with high-convenience and low-cost, and validated them against a conventional method. This work can provide a practical solution to users for the quality assurance of CT.
We have studied the hard X-ray variability of the soft X-ray transient GRO J0422+32 with BATSE (Burst and Transient Source Experiment) in the 20-100 keV energy band. Our analysis covers 180 days following the first X-ray detection of the source on August 5, 1992, fully covering its primary and secondary X-ray outbursts. We compute power density spectra (PDSs) in the 20-50, 50-100, and 20-100 keV energy bands, in the frequency interval 0.002-0.488 Hz. The PDSs of GRO J0422+32 are approximately flat up to a break frequency, and decay as a power law above it, with index approximately 1. During the first 70 days of the X-ray outburst, the PDSs of GRO J0422+32 show a significant quasi-periodic oscillation (QPO) peak near approximately 0.2 Hz, superposed on the power-law tail. The break frequency of the PDSs obtained during the primary X-ray outburst of GRO J0422+32 occurs at 0.041 +/- 0.006 Hz; during the secondary outburst, the break is at 0.081 +/- 0.015 Hz. The power density at the break ranged between 44% and 89% / square root of Hz (20-100 keV). The canonical anticorrelation between the break frequency and the power density at the break, observed in Cyg X-1 and other BHCs in the low state, is not observed in the PDSs of GRO J0422+32. We compare our results with those of similar variability studies of Cyg X-1. The relation between the spectral slope and the amplitude of the X-ray variations of GRO J0422+32 is similar to that of Cyg X-1; however, the relation between the hard X-ray flux and the amplitude of its variation is opposite to what has been found in Cyg X-1. Phase lags between the X-ray flux variations of GRO J0422+32 at high and low photon energies could only be derived during the first 30 days of its outburst. During this period, the variations in the 50-100 keV band lag those in the 20-50 keV energy band by an approximately constant phase difference of 0.039(3) rad in the frequency interval 0.02-0.20 Hz. The time lags of GRO J0422+32 during the first 30 days of the outburst decrease with frequency as a power law with index 0.9 for v > 0.01 Hz.
The author has analyzed the use of a light-weight inflatable hypersonic drag device, called a ballute, (balloon + parachute) for flight in planetary atmospheres, for entry, aerocapture, and aerobraking. Studies to date include missions to Mars, Venus, Earth, Saturn, Titan, Neptune and Pluto. Data on a Pluto lander and a Mars orbiter will be presented to illustrate the concept. The main advantage of using a ballute is that aero deceleration and heating in atmospheric entry occurs at much smaller atmospheric density with a ballute than without it. For example, if a ballute has a diameter 10 times as large as the spacecraft, for unchanged total mass, entry speed and entry angle,the atmospheric density at peak convective heating is reduced by a factor of 100, reducing the peak heating by a factor of 10 for the spacecraft, and a factor of about 30 for the ballute. Consequently the entry payload (lander, orbiter, etc) is subject to much less heating, requires a much reduced thermal protection system (possibly only an MLI blanket), and the spacecraft design is therefore relatively unchanged from its vacuum counterpart. The heat flux on the ballute is small enough to be radiated at temperatures below 800 K or so. Also, the heating may be reduced further because the ballute enters at a more shallow angle, even allowing for the increased delivery angle error. Added advantages are a smaller mass ratio of entry system to total entry mass, and freedom from the low-density and transonic instability problems that conventional rigid entry bodies suffer, since the vehicle attitude is determined by the ballute, usually released at continuum conditions (hypersonic for an orbiter, and subsonic for a lander). Also, for a lander the range from entry to touchdown is less, offering a smaller footprint. The ballute derives an entry corridor for aerocapture by entering on a path that would lead to landing, and releasing the ballute adaptively, responding to measured deceleration, at a speed computed to achieve the desired orbiter exit conditions. For a lander an accurate landing point could be achieved by providing the lander with a small gliding capacity, using the large potential energy available from being subsonic at high altitude. Alternatively the ballute can be retained to act as a parachute or soft-landing device, or to float the payload as a buoyant aerobot. As expected, the ballute has smaller size for relatively small entry speeds, such as for Mars, or for the extensive atmosphere of a low-gravity planet such as Pluto. The author will discuss presently available ballute materials and a development program of aerodynamic tests and materials that would be required for ballutes to achieve their full potential.
The author has analyzed the use of a light-weight inflatable hypersonic drag device, called a ballute, for flight in planetary atmospheres, for entry, aerocapture, and aerobraking. Studies to date include Mars, Venus, Earth, Saturn, Titan, Neptune and Pluto, and data on a Pluto lander and a Mars orbiter will be presented to illustrate the concept. The main advantage of using a ballute is that aero, deceleration and heating in atmospheric entry occurs at much smaller atmospheric density with a ballute than without it. For example, if a ballute has a diameter 10 times as large as the spacecraft, for unchanged total mass, entry speed and entry angle,the atmospheric density at peak convective heating is reduced by a factor of 100, reducing the heating by a factor of 10 for the spacecraft and a factor of 30 for the ballute. Consequently the entry payload (lander, orbiter, etc) is subject to much less heating, requires a much reduced thermal. protection system (possibly only an MLI blanket), and the spacecraft design is therefore relatively unchanged from its vacuum counterpart. The heat flux on the ballute is small enough to be radiated at temperatures below 800 K or so. Also, the heating may be reduced further because the ballute enters at a more shallow angle, even allowing for the increased delivery angle error. Added advantages are less mass ratio of entry system to total entry mass, and freedom from the low-density and transonic instability problems that conventional rigid entry bodies suffer, since the vehicle attitude is determined by the ballute, usually released at continuum conditions (hypersonic for an orbiter, and subsonic for a lander). Also, for a lander the range from entry to touchdown is less, offering a smaller footprint. The ballute derives an entry corridor for aerocapture by entering on a path that would lead to landing, and releasing the ballute adaptively, responding to measured deceleration, at a speed computed to achieve the desired orbiter exit conditions. For a lander an accurate landing point could be achieved by providing the lander with a small gliding capacity, using the large potential energy available from being subsonic at high altitude. Alternatively the ballute can be retained to act as a parachute or soft-landing device, or to float the payload as a buoyant aerobot. As expected, the ballute has smaller size for relatively small entry speeds, such as for Mars and Titan, or for the extensive atmosphere of a low-gravity planet such as Pluto. Details of a ballute to place a small Mars orbiter and a small Pluto lander will be given to illustrate the concept. The author will discuss presently available ballute materials and a development program of aerodynamic tests and materials that would be required for ballutes to achieve their full potential.
Research indicates a main contributor of injury in older adults is from falling. The decline in sensory systems limits information needed to successfully maneuver through the environment. The objective of this study was to determine if prolonged exposure to the realignment of perceptual-motor systems increases adaptability of balance, and if balance confidence improves after training. A total of 16 older adults between ages 65-85 were randomized to a control group (walking on a treadmill while viewing a static visual scene) and an experimental group (walking on a treadmill while viewing a rotating visual scene). Prior to visual exposure, participants completed six trials of walking through a soft foamed obstacle course. Participants came in twice a week for 4 weeks to complete training of walking on a treadmill and viewing the visual scene for 20 minutes each session. Participants completed the obstacle course after training and four weeks later. Average time, penalty, and Activity Balance Confidence Scale scores were computed for both groups across testing times. The older adults who trained, significantly improved their time through the obstacle course F (2, 28) = 9.41, p < 0.05, as well as reduced their penalty scores F (2, 28) = 21.03, p < 0.05, compared to those who did not train. There was no difference in balance confidence scores between groups across testing times F (2, 28) = 0.503, p > 0.05. Although the training group improved mobility through the obstacle course, there were no differences between the groups in balance confidence.
Narrow-line Seyfert 1 galaxies (NLS1s) with very small broadline widths (say, FWHM(H{beta}) {approx}<1200 km s{sup -1}) represent the extreme type of Seyfert 1 galaxies that have small black hole masses (M{sub BH}) and/or high Eddington ratios (L/L{sub Edd}). Here, we study the X-ray properties of a homogeneously and optically selected sample of 13 such objects, termed as very narrow line Seyfert 1 galaxies, using archival XMM-Newton data. It is found that the Fe K{alpha} emission line is at most weak in these objects. A soft X-ray excess is ubiquitous, with the thermal temperatures falling within a strict range of 0.1-0.2 keV. Our result highlights the puzzling independence of the thermal temperature by extending the relations to even smaller FWHM(H{beta}), i.e., smaller M{sub BH} ({approx}10{sup 6} M{sub sun}) and/or higher L/L{sub Edd}. The excess emission can be modeled by a range of viable models, though the disk reflection and Comptonization models generally give somewhat better fits over the smeared absorption and the p-free models. At the Eddington ratios around unity and above, the X-ray spectral slopes in the 2-10 keV band are systematically flatter than the predictions of the relationship with L/L{sub Edd} suggested previously. Short timescale (1-2 hr) X-ray variability is common, which, together with the variability amplitude computed for some of the objects, is supportive of the scenario that NLS1s are indeed active galactic nuclei with relatively small M{sub BH}.
Purpose: The lack of electron density information in magnetic resonance images (MRI) poses a major challenge for MRI-based radiotherapy treatment planning (RTP). In this study the authors convert MRI intensity values into Hounsfield units (HUs) in the male pelvis and thus enable accurate MRI-based RTP for prostate cancer patients with varying tissue anatomy and body fat contents. Methods: T{sub 1}/T{sub 2}*-weighted MRI intensity values and standard computed tomography (CT) image HUs in the male pelvis were analyzed using image data of 10 prostate cancer patients. The collected data were utilized to generate a dual model HU conversion technique from MRI intensity values of the single image set separately within and outside of contoured pelvic bones. Within the bone segment local MRI intensity values were converted to HUs by applying a second-order polynomial model. This model was tuned for each patient by two patient-specific adjustments: MR signal normalization to correct shifts in absolute intensity level and application of a cutoff value to accurately represent low density bony tissue HUs. For soft tissues, such as fat and muscle, located outside of the bone contours, a threshold-based segmentation method without requirements for any patient-specific adjustments was introduced to convert MRI intensity values into HUs. The dual model HU conversion technique was implemented by constructing pseudo-CT images for 10 other prostate cancer patients. The feasibility of these images for RTP was evaluated by comparing HUs in the generated pseudo-CT images with those in standard CT images, and by determining deviations in MRI-based dose distributions compared to those in CT images with 7-field intensity modulated radiation therapy (IMRT) with the anisotropic analytical algorithm and 360° volumetric-modulated arc therapy (VMAT) with the Voxel Monte Carlo algorithm. Results: The average HU differences between the constructed pseudo-CT images and standard CT images of each test patient ranged from −2 to 5 HUs and from 22 to 78 HUs in soft and bony tissues, respectively. The average local absolute value differences were 11 HUs in soft tissues and 99 HUs in bones. The planning target volume doses (volumes 95%, 50%, 5%) in the pseudo-CT images were within 0.8% compared to those in CT images in all of the 20 treatment plans. The average deviation was 0.3%. With all the test patients over 94% (IMRT) and 92% (VMAT) of dose points within body (lower than 10% of maximum dose suppressed) passed the 1 mm and 1% 2D gamma index criterion. The statistical tests (t- and F-tests) showed significantly improved (p ≤ 0.05) HU and dose calculation accuracies with the soft tissue conversion method instead of homogeneous representation of these tissues in MRI-based RTP images. Conclusions: This study indicates that it is possible to construct high quality pseudo-CT images by converting the intensity values of a single MRI series into HUs in the male pelvis, and to use these images for accurate MRI-based prostate RTP dose calculations.
Microelectromechanical systems remain an area of significant interest in fundamental and applied research due to their wide ranging applications. Most device designs, however, are largely 2D and constrained to only a few simple geometries. Achieving tunable resonant frequencies or broad operational bandwidths requires complex components and/or fabrication processes. The work presented here reports unusual classes of 3D micromechanical systems in the form of vibratory platforms assembled by controlled compressive buckling. Such 3D structures can be fabricated across a broad range of length scales and from various materials, including soft polymers, monocrystalline silicon, and their composites, resulting in a wide scope of achievable resonant frequencies and mechanical behaviors. Platforms designed with multistable mechanical responses and vibrationally decoupled constituent elements offer improved bandwidth and frequency tunability. Furthermore, the resonant frequencies can be controlled through deformations of an underlying elastomeric substrate. Systematic experimental and computational studies include structures with diverse geometries, ranging from tables, cages, rings, ring-crosses, ring-disks, two-floor ribbons, flowers, umbrellas, triple-cantilever platforms, and asymmetric circular helices, to multilayer constructions. These concepts form the foundations for engineering designs that complement those supported by conventional, micro-electromechanical systems, with capabilities that could be useful in systems for biosensing, energy harvesting, and others.