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At least 793 records · Page 44

Design of semiconductor surface pits for fabrication of regular arrays of quantum dots and nanorings

We report a systematic computational study on the formation of complex nanostructures consisting of quantum dots and nanorings on surfaces of coherently strained thin films grown epitaxially on pit-patterned substrates. The analysis is based on self-consistent dynamical simulations according to a film surface evolution model that has been validated experimentally by comparison of its predictions with experimental observations on Ge films grown on Si pit-patterned substrates and is supported by linear stability theory that explains the film surface nanopattern formation as the outcome of a Stranski-Krastanow instability. Emphasis is placed on the design of conical pit patterns and the effects on the resulting film surface nanopattern of varying geometrical design parameters including film thickness, pit-pattern period, pit depth, pit opening diameter, and pit wall inclination. We demonstrate that varying the pit opening diameter and the pit wall slope leads to formation of complex nanostructures inside the pits of a regular pit pattern on the film surface, which include quantum dots, as well as single nanorings and multiple concentric nanorings that may or may not surround a central quantum dot inside each pit. Our simulation predictions demonstrate that the ordered nanostructure patterns forming on the film surface can be controlled precisely by tuning the geometrical parameters of the pits on the pit-patterned substrate. Our findings have important implications for designing optimal semiconductor surface patterns toward enabling future nanofabrication technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fabrication of pristine 2D heterostructures for scanning probe microscopy

Material-by-design has been a long-standing aspiration that has recently become a reality. Such designer materials have been repeatedly demonstrated using the top-down approach of mechanical exfoliation and stacking, leading to a variety of artificial 2D heterostructures with new properties that are otherwise unattainable. Consequently, tremendous research frontiers in physics, chemistry, engineering, and life science have been created. While thousands of layered crystals exist in nature, only a few dozen of them with manageable chemical-stability have been made into heterostructures using this method. Moreover, experimental investigations of materials that have received limited exploration in the 2D realm, such as cuprates, halides, and perovskites, along with their heterostructures, have been fundamentally hindered by their rapid chemical degradation. Another critical challenge imposed by exfoliating and stacking 2D layers in ambient environment is the absorption of itinerant gas molecules that further contaminate sensitive 2D interfaces in the heterostructures. Such contamination and compromised material properties significantly hinder surface-sensitive local probes—scanning probe microscopy (SPM)—that often require nanometer to atomic scale surface cleanliness. In this article, we aim to provide a technical review of recent development toward 2D materials and heterostructure fabrication in more controlled environments that are suitable for SPM characterizations. These include the development of more efficient mechanical exfoliation and dry-transfer techniques, as well as the incorporation of 2D material exfoliation and transfer in inert gas, low vacuum, and, eventually, ultra-high vacuum environments. Finally, we provide an outlook on the remaining challenges and opportunities in ultra-clean 2D material fabrication techniques.

Materials Science↗

Efficient Simulation of Logical Magic State Preparation Protocols

Developing space- and time-efficient logical magic state preparation (MSP) protocols will likely be an essential step toward building a large-scale fault-tolerant quantum computer. Motivated by this need, we introduce a scalable method for simulating logical MSP protocols under the standard circuit-level noise model. When applied to protocols based on code-switching, magic state cultivation, and magic state distillation, our method yields a complexity polynomial in (i) the number of qubits and (ii) the nonstabilizerness, e.g., stabilizer rank or Pauli rank, of the target encoded magic state. The efficiency of our simulation method is rooted in a curious fact: every circuit-level Pauli error in these protocols propagates to a Clifford error at the end. This property is satisfied by a large family of protocols, including those that repeatedly measure a transversal Clifford that squares to a Pauli. We provide a proof-of-principle numerical simulation that prepares a magic state using such logical Clifford measurements. Our work enables practical simulation of logical MSP protocols without resorting to approximations or resource-intensive state-vector simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Utilisation of flavonoids from Lycium barbarum L. leaves cross‐linked with whey protein for the stabilisation and delivery of β ‐carotene emulsions

Summary Although β ‐carotene is an essential nutrient for the maintenance of human health, it is insoluble in water and extremely unstable, which limits its application. Here, we prepared a stable emulsification system of whey protein (WP)‐ Lycium barbarum L. leaves flavonoids (LBLF) complex as a carrier to load β ‐carotene. The rheological properties, antioxidant properties and stability of emulsion were studied, and the effects of emulsion on the biological retention of β ‐carotene and stability were investigated. The results indicate that, compared with WP, the WP‐LBLF emulsion has smaller particles, a smaller creaming index, and significantly enhanced chemical stability under light and heat treatment conditions. The thiobarbituric acid value of the WP‐LBLF emulsion (0.031 ± 0.016 mg/kg) was dramatically lower than that of the WP emulsion (0.045 ± 0.012 mg/kg) ( P < 0.05). In the simulated gastrointestinal digestion experiment, the retention rate of β ‐carotene was higher in WP‐LBLF emulsion. Additionally, the WP‐LBLF emulsion loaded with β ‐carotene has good salt tolerance and heat stability. In our study, WP‐LBLF was used as an emulsifier to load β ‐carotene emulsion to improve its bioavailability and stability, which provides a new preparation and application method for a complex functional emulsifier.

Fan, Yanli↗

Process damping identification using Bayesian learning and time domain simulation

Process damping can provide improved machining productivity by increasing the stability limit at low spindle speeds. However, existing methods for identifying process damping models experimentally require specialized setups and/or multiple cutting tests. While the phenomenon is well known, the modeling challenges limit pre-process parameter selection that leverages the potential increases in material removal rates. This paper proposes a physics-informed Bayesian method that can identify the cutting force and process damping models from a limited set of test cuts without requiring direct measurements of cutting force or vibration. The method uses time domain simulation to incorporate process damping and provide a basis for test selection. Here, new strategies for efficient sampling and dimensionality reduction are applied to lower computation time and minimize the effect of model error. The proposed method is demonstrated and the identified cutting and damping force coefficients are compared to values obtained using machining tests and least-squares fitting.

42 ENGINEERING↗

Demonstration of a Rapid HPLC-ICPMS Direct Coupling Technique Using IDMS-Project Report: Part I

Staff members working in chemical separations and inductively coupled plasma mass spectrometry have developed a rapid separation-direct analysis scheme to determine both concentration and isotopics of a suite of elements down to the low picogram level. To reach the goal of rapid analysis of post-detonation nuclear materials, this first phase in method development has shown both the sensitivity and stability to achieve the precise, low-level analyses required. By coupling a high pressure ion chromatography system to an inductively coupled plasma mass spectrometer, researchers can achieve online analysis of the separated components of the sample directly. Using theT hermo Scientific™ Qtegra™ analysis software, the data has been processed automatically to yield precise isotopic composition and concentrations.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Controlled Injection of Electrons for Improved Performance of Laser-Wakefield Acceleration

Our lab performed a series of experiments on controlled injection of LWFA with two extreme laser pulses: one laser pulse was used to drive LWFA. In contrast, the other precisely controls the injection of electrons into the wakefield plasma wave. We have demonstrated an efficient reduction of electron beam emittance by optical injection and novel spatio-temporal manipulation of the electron beam by the extreme laser-plasma waves. Moreover, the optical injection process involves unprecedented new physics, which will benefit studies in astrophysics, inertial confinement fusion, laser-driven x-ray light sources, and ultrafast science. We further improved the performance of LWFA by a better understanding and control of the extreme laser-plasma wave dynamics for optical injection. Three novel mechanisms were identified in the optical injection process: (1) collision of two laser pulses, (2) collision of a laser pulse with a wakefield plasma wave, and (3) collision of two laser wakefields. All three methods improved electron-beam energy spread, emittance, stability, and reproducibility. First, we identified, compared, and independently controlled these different injection mechanisms by controlling the polarization of the injector laser pulse. Second, we manipulated the spatiotemporal splitting of LWFA electron beams to reduce their emittance. Third, we applied the same laser-plasma-wave dynamics and the same experimental setup for improved performance of ion acceleration, which has also been predicted by the recent simulations.

43 PARTICLE ACCELERATORS↗

Using Energy Storage-Based Grid Forming Inverters for Operational Reserve in Hybrid Diesel Microgrids

In remote arctic communities, where access to a bulk electrical grid interconnection is not available, the implementation of islanded microgrids has been the most viable way to produce and distribute electricity services to their inhabitants. Historically, these islanded grids have relied primarily on diesel generators or hydropower resources to supply the baseload. However, this practice can result in increased expense due to the high costs associated with fuel transportation and the significant amounts of on-site storage necessary when fuel transportation is unavailable during winter months. In order to mitigate this problem, arctic microgrids have started to transition to a hybrid-source operational mode by incorporating renewable energy sources that are inherently variable in nature, such as wind or solar. Due to their highly stochastic behavior, these hybrid-source islanded microgrids can pose potential issues related to power quality due to introduction of rapid net load fluctuations and inability of diesel generators to respond rapidly. In addition, non-firm stochastic sources can require significant idling diesel generator resources to serve as spinning reserves, which is inefficient and wasteful. This work studies the problems that may arise in the transient dynamics of a real-world hybrid diesel microgrid when subjected to a loss of wind generation. Moreover, this work proposes a transition from a diesel spinning reserve to a battery energy-storage system (BESS) operating reserve scheme. The study of the proposed transition is important in establishing the fundamental implication of transient dynamics and the potential benefits of integrating a BESS as a spinning reserve in terms of stability, frequency nadir, and transient voltage deviation. The methods to investigate and validate the transient dynamics relied on both electromagnetic simulation models of GFMIs and a commercially available GFMI in an experimental power hardware-in-the-loop setup. The simulation results showed that the proposed operating reserve scheme improves the power quality of the system in terms of voltage deviation and frequency nadir when the microgrid is subjected to a loss of wind generation scenario. Depending on the simulation cases, adding a GFMI reduced the frequency nadir between 65.3% and 86.7%. Moreover, the reductions in the voltage deviations improved between 3.6% and 23.0%. From these results it can be concluded that the integration of a GFMI can reduce the frequency nadir in a hybrid diesel microgrid, and in turn, reduce diesel consumption, which improves system reliability while reducing fuel expenses. Furthermore, the novelty of this work relies on the fact that the offline simulation results were validated using a power hardware-in-the-loop platform that incorporated a 100 kVA commercially available GFMI as the device under test.

Hernandez-Alvidrez, Javier↗

Ignition Delay in Low Temperature Combustion

Low temperature combustion (LTC) strategies present a means of reducing soot and oxides of nitrogen (NOx) emissions while simultaneously increasing efficiency relative to conventional combustion modes. By sufficiently premixing fuel and air before combustion, LTC strategies avoid high fuel-to-air equivalence ratios that lead to soot production. Dilution of the mixture lowers the combustion temperatures to reduce NOx production and offers thermodynamic advantages for improved efficiency. However, issues such as high heat release rates (HRRs), incomplete combustion, and difficulty in controlling the timing of combustion arise with low equivalence ratios and combustion temperatures. Ignition delay (the time until the start of combustion) is a way to quantify the time available for fuel and air to mix inside the cylinder before combustion. Previous studies have used ignition delay to explain trends seen in LTC such as combustion stability and HRRs. This study provides a novel method of integrating ignition delay into the investigation of LTC to determine what insights ignition delay calculations can provide for the different challenges associated with LTC strategies. To eliminate the need for large chemical kinetic models and interpolation to predict ignition delay, an ignition delay correlation is used. The flexibility gained using the correlation allows this method to be quickly adapted to target different LTC strategies and challenges. In this work, three cases of low temperature gasoline combustion (LTGC) with varying stratification levels were evaluated with an emphasis on the non-monotonic trend of the HRRs. The described method for ignition delay calculation is used to detail the stratification and ignition delay distributions for each case and provide insight into the observed trends.

Drallmeier, Joseph↗

Using Contact to Increase Robot Performance for Glovebox D and D Tasks - 18227

Glovebox decommissioning tasks usually require manipulating relatively heavy objects in a highly constrained environment. Thus, contact with the surroundings becomes inevitable. In order to allow the robot to interact with the environment in a natural way, we present a contact-implicit motion planning framework. This framework enables the system, without the specification in advance of a contact plan, to make and break contacts to maintain stability while performing a manipulation task. In this method, we use linear complementarity constraints to model rigid body contacts and find a locally optimal solution for joint displacements and magnitudes of support forces. Then, joint torques are calculated such that the support forces have the highest priority. We evaluate our framework in a 2.5D, quasi-static simulation in which a humanoid robot with planar arms manipulates a heavy object. Our results suggest that the proposed method provides the robot with the ability to balance itself by generating support forces on the environment while simultaneously performing the manipulation task. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Isolating organic carbon fractions with varying turnover rates in temperate agricultural soils – A comprehensive method comparison

Fractionation of soil organic carbon (SOC) is crucial for mechanistic understanding and modeling of soil organic matter decomposition and stabilization processes. It is often aimed at separating the bulk SOC into fractions with varying turnover rates, but a comprehensive comparison of methods to achieve this is lacking. In this study, a total of 20 different SOC fractionation methods were tested by participating laboratories for their suitability to isolate fractions with varying turnover rates, using agricultural soils from three experimental sites with vegetation change from C3 to C4 22–36 years ago. Enrichment of C4-derived carbon was traced and used as a proxy for turnover rates in the fractions. Methods that apply a combination of physical (density, size) and chemical (oxidation, extraction) fractionation were identified as most effective in separating SOC into fractions with distinct turnover rates. Coarse light SOC separated by density fractionation was the most C4-carbon enriched fraction, while oxidation-resistant SOC left after extraction with NaOCl was the least C4-carbon enriched fraction. Surprisingly, even after 36 years of C4 crop cultivation in a temperate climate, no method was able to isolate a fraction with more than 76% turnover, which challenges the link to the most active plant-derived carbon pools in models. Particles with density >2.8 g cm -3 showed similar C4-carbon enrichment as oxidation-resistant SOC, highlighting the importance of sesquioxides for SOC stabilization. The importance of clay and silt-sized particles (<50 μm) for SOC stabilization was also confirmed. Particle size fractionation significantly outperformed aggregate size fractionation, due to the fact that larger aggregates contain smaller aggregates and organic matter particles of various sizes with different turnover rates. An evaluation scheme comprising different criteria was used to identify the most suitable methods for isolating fractions with distinct turnover rates, and potential benefits and trade-offs associated with a specific choice. The study's findings can be of great help to select the appropriate method(s) for fractionation of agricultural soils.

59 BASIC BIOLOGICAL SCIENCES↗

Charge ordering in superconducting copper oxides

Abstract Charge order has recently been identified as a leading competitor of high-temperature superconductivity in moderately doped cuprates. We provide a survey of universal and materials-specific aspects of this phenomenon, with emphasis on results obtained by scattering methods. In particular, we discuss the structure, periodicity, and stability range of the charge-ordered state, its response to various external perturbations, the influence of disorder, the coexistence and competition with superconductivity, as well as collective charge dynamics. In the context of this journal issue which honors Roger Cowley’s legacy, we also discuss the connection of charge ordering with lattice vibrations and the central-peak phenomenon. We end the review with an outlook on research opportunities offered by new synthesis methods and experimental platforms, including cuprate thin films and superlattices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

We extend our hybrid linear-method/accelerated-descent variational Monte Carlo optimization approach to excited states and investigate its efficacy in double excitations. In addition to showing a superior statistical efficiency when compared to the linear method, our tests on small molecules show good energetic agreement with benchmark methods. We also demonstrate the ability to treat double excitations in systems that are too large for a full treatment by using selected configuration interaction methods via an application to 4-aminobenzonitrile. Finally, we investigate the stability of state-specific variance optimization against collapse to other states’ variance minima and find that symmetry, Ansatz quality, and sample size all have roles to play in achieving stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Examination of Semi-Analytical Solution Methods in the Coarse Operator of Parareal Algorithm for Power System Simulation

With continuing advances in high-performance parallel computing platforms, parallel algorithms have become powerful tools for development of faster than real-time power system dynamic simulations. In particular, it has been demonstrated in recent years that parallel-in-time (Parareal) algorithms have the potential to achieve such an ambitious goal. Here, the selection of a fast and reasonably accurate coarse operator of the Parareal algorithm is crucial for its effective utilization and performance. This paper examines semi-analytical solution (SAS) methods as the coarse operators of the Parareal algorithm and explores performance of the SAS methods to the standard numerical time integration methods. Two promising time-power series-based SAS methods were considered; Adomian decomposition method and Homotopy analysis method with a windowing approach for improving the convergence. Numerical performance case studies on 10-generator 39-bus system and 327-generator 2383-bus system were performed for these coarse operators over different disturbances, evaluating the number of Parareal iterations, computational time, and stability of convergence. All the coarse operators tested with different scenarios have converged to the same corresponding true solution (if they are convergent) and the SAS methods provide comparable computational speed, while having more stable convergence to the true solution in many cases.

97 MATHEMATICS AND COMPUTING↗

Noise-Resilient Quantum Machine Learning for Stability Assessment of Power Systems

Transient stability assessment (TSA) is a cornerstone for resilient operations of todays interconnected power grids. This paper is a confluence of quantum computing, data science and machine learning to potentially address the power system TSA issue. Here, we devise a quantum TSA (QTSA) method to enable scalable and efficient data-driven transient stability prediction for bulk power systems, which is the first attempt to tackle the TSA issue with quantum computing. Our contributions are three-fold: 1) A high expressibility, low-depth (HELD) quantum circuit is designed for accurate and noise-resilient TSA; 2) A quantum natural gradient descent algorithm is developed for efficient HELD circuit training; 3) A systematical analysis on QTSAs performance under various quantum factors is per-formed. QTSA underpins a foundation of quantum-enabled and data-driven power grid stability analytics. It renders the intractable TSA straightforward and effortless in the Hilbert space, and therefore provides stability information for power system operations. Extensive experiments on quantum simulators and real quantum computers verify the accuracy, noise-resilience, scalability and universality of QTSA.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Developing Frequency Stability Constraint for Unit Commitment Problem Considering High Penetration of Renewables: Preprint

As zero-carbon electricity systems become the trend of future grid, the system inertia provided by conventional synchronous generators (SGs) keeps decreasing. The resultant lower system inertia will inevitably cause frequency stability problem, especially in the first few seconds after disturbance. To address this challenge, this paper proposes a frequency stability unit commitment constraint considering the fast frequency responses (FFRs) from inverter-based resources (IBRs). Thus, this paper first analyzes a frequency nadir differential equation that considers SG governor model and three kinds of FFR provided by IBRs. A system frequency nadir estimation framework is developed with consideration of various conventional SG and IBR models. The accuracy of this frequency estimation framework is validated by largest N-1 contingency simulation result of a real island system. Then, the adaptive inertia frequency stability unit commitment constraint is derived from sensitivity analysis method. Finally, we demonstrate the effectiveness of our developed constraints with one year day-ahead unit commitment results of the real island system.

fast frequency response↗

A Stable and Ultrafast Control for Multiparallel Grid-Tied SiC Inverters With LVRT Capability Considering Cable Impedance

The stability of multiparalleled grid-tied inverters remains a challenging issue especially during low-voltage ride-through (LVRT) in the presence of grid impedance. SiC device-based grid-tied inverters can achieve advantages such as higher efficiency, reduced size of interface filters, and fast dynamics; however, they can exacerbate this stability issue particularly when LVRT occurs along with high inrush current due to their low inertia characteristics. In this article, a direct deadbeat control method without any PI control loop is proposed for multiparallel grid-tied SiC inverters. The proposed control achieves instantaneous current regulations within switching cycles. In addition, it mitigates high inrush currents and maintains stability during LVRT transients without requiring mode transitions between normal and LVRT operation modes, thereby achieving an ultrafast response and seamless operation through this unified control method. The Lyapunov method is applied to analyze the multiparallel inverter stability in the presence of grid impedance with proposed deadbeat control method. The inverter V-I trajectories during LVRT transients are derived to illustrate the ultrafast and stable feature of proposed control. Finally, the experimental results of two grid-tied SiC inverters operating at LVRT transients are provided to verify the advantages of the proposed control method.

14 SOLAR ENERGY↗