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At least 307 records · Page 17

Stabilized electrodes for ion batteries and methods of making the same

The present disclosure relates to a silicon nanoparticle that includes a core of silicon having an outer surface that includes *SiH3-xRx, where *Si is a silicon atom on the outer surface of the core, the first layer covers at least a portion of the outer surface, R is a ligand that includes at least one of —O—R′, —C—R′, —N—R′, —Si—R′, and/or —S—R′, and R′ is a functional group that includes at least one of carbon, oxygen, nitrogen, hydrogen, sulfur, and/or phosphorus.

Neale, Nathan Richard↗

Stabilized copper selenide thermoelectric materials and methods of fabrication thereof

A thermoelectric composition is provided that includes a nanocomposite comprising a copper selenide (Cu 2 Se) matrix having a plurality of nanoinclusions comprising copper metal selenide (CuMSe 2 ) distributed therein. M may be selected from the group consisting of: indium (In), aluminum (Al), gallium (Ga), antimony (Sb), bismuth (Bi), and combinations thereof. The thermoelectric composition has an average figure of merit (ZT) of greater than or equal to about 1.5 at a temperature of less than or equal to about 850K (about 577° C.). Methods of making such a thermoelectric nanocomposite material by a sequential solid-state transformation of a CuSe2 precursor are also provided.

Poudeu-Poudeu, Pierre Ferdinand↗

Stabilized quasi-Newton optimization of noisy potential energy surfaces

Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interfacial degradation effects of aqueous solution-processed molybdenum trioxides on the stability of organic solar cells evaluated by a differential method

The authors investigate the influence of two hole interfacial materials poly (3,4-ethylenedioxythiophene):poly (styrenesulfonate) (PEDOT:PSS) and aqueous solution-processed MoO{sub 3} (sMoO{sub 3}) on cell stability. sMoO{sub 3}-based device demonstrated obviously improved stability compared to PEDOT:PSS-based one. Current-voltage characteristics analysis is carried out to investigate the effect of the hole interfacial layers on the cell stability. The formation of additional trap states at the interfaces between the hole interfacial layer and the active layer in degraded devices is verified by a differential method. Improved cell stability is attributed to a relatively stable sMoO{sub 3} interfacial layer compared to PEDOT:PSS by comparing their different trap states distributions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methods

The energy of a temporary anion can be computed by adding a stabilizing potential to the molecular Hamiltonian, increasing the stabilization until the temporary state is turned into a bound state, and then further increasing the stabilization until enough bound state energies have been collected so that these can be extrapolated back to vanishing stabilization. The lifetime can be obtained from the same data, but only if the extrapolation is done through analytic continuation of the momentum as a function of the square root of a shifted stabilizing parameter. This method is known as analytic continuation of the coupling constant, and it requires—at least in principle—that the bound-state input data are computed with a short-range stabilizing potential. In the context of molecules and ab initio packages, long-range Coulomb stabilizing potentials are, however, far more convenient and have been used in the past with some success, although the error introduced by the long-rang nature of the stabilizing potential remains unknown. Here, we introduce a soft-Voronoi box potential that can serve as a short-range stabilizing potential. The difference between a Coulomb and the new stabilization is analyzed in detail for a one-dimensional model system as well as for the {sup 2}Π{sub u} resonance of CO{sub 2}{sup −}, and in both cases, the extrapolation results are compared to independently computed resonance parameters, from complex scaling for the model, and from complex absorbing potential calculations for CO{sub 2}{sup −}. It is important to emphasize that for both the model and for CO{sub 2}{sup −}, all three sets of results have, respectively, been obtained with the same electronic structure method and basis set so that the theoretical description of the continuum can be directly compared. The new soft-Voronoi-box-based extrapolation is then used to study the influence of the size of diffuse and the valence basis sets on the computed resonance parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancing Power System Transient Stability by Virtual Synchronous Generator Control Using Wide-Area Measurements

Virtual synchronous generator control provides a potential solution to connect power electronics interfaced sources to the power system. With its flexible control, the emulated inertia may be adaptively changed to enhance system small-signal stability. However, previously proposed methods may have adverse impact to system transient stability. This paper proposes to improve the methods by using wide-area measurements, namely center of inertia frequency. Experimental results are presented to both demonstrate the limitations of previous control schemes, and the effectiveness of the proposed one. The practical implementation of this method is discussed.

Ma, Yiwei↗

Voltage stability smart meter for analyzing voltage data and controlling an electrical power source and/or an electric appliance

Systems and methods for voltage stability monitoring and active/reactive power support are disclosed herein. In some embodiments, a smart electric meter of an end user in a grid power system can measure the voltage supplied to the end user via the grid power system, and can analyze the voltage data to detect critical voltage characteristics. The critical voltage characteristics may indicate that a voltage collapse event is likely. The smart electric meter can further estimate a voltage stability margin based on the voltage data. If necessary, the smart electric meter can control an electrical power source and/or an electric appliance positioned at or near the end user to increase the voltage stability margin.

Min, Liang↗

The Legendre Polynomial Axial Expansion Method

This work presents a new formulation of the axial expansion transport method explicitly using Legendre polynomials for arbitrarily high-order expansions. This new formulation also features an alternative method of axial leakage calculation to allow for nonextruded flat source region meshes. This alternative axial leakage is introduced alongside a balance equation requirement to ensure that neutron balance is preserved in the coarse mesh for a given axial leakage formulation, which allows for effective coarse mesh finite difference acceleration. A matrix exponential table method is derived to allow for fast computations of arbitrarily high-order matrix exponentials for this work and precludes the need for further research into matrix exponential calculations for this method. Numerical results are presented that demonstrate the stability of the axial expansion method in systems with voidlike regions, showcase the speedup from matrix exponential tables, and investigate the axial convergence of the method in terms of both expansion order and mesh size.

Herring, Nicholas↗

High Order Strong Stability Preserving MultiDerivative Implicit and IMEX Runge--Kutta Methods with Asymptotic Preserving Properties

In this article we present a class of high order unconditionally strong stability preserving (SSP) implicit two-derivative Runge--Kutta schemes and SSP implicit-explicit (IMEX) multi-derivative Runge--Kutta schemes where the time-step restriction is independent of the stiff term. The unconditional SSP property for a method of order $p>2$ is unique among SSP methods and depends on a backward-in-time assumption on the derivative of the operator. We show that this backward derivative condition is satisfied in many relevant cases where SSP IMEX schemes are desired. We devise unconditionally SSP implicit Runge--Kutta schemes of order up to $p=4$ and IMEX Runge--Kutta schemes of order up to $p=3$. For the multiderivative IMEX schemes, we also derive and present the order conditions, which have not appeared previously. The unconditional SSP condition ensures that these methods are positivity preserving, and we present sufficient conditions under which such methods are also asymptotic preserving when applied to a range of problems, including a hyperbolic relaxation system, the Broadwell model, and the Bhatnagar--Gross--Krook kinetic equation. We present numerical results to support the theoretical results on a variety of problems.

97 MATHEMATICS AND COMPUTING↗

Stability regions for synchronized τ-periodic orbits of coupled maps with coupling delay τ

Motivated by the chaos suppression methods based on stabilizing an unstable periodic orbit, we study the stability of synchronized periodic orbits of coupled map systems when the period of the orbit is the same as the delay in the information transmission between coupled units. We show that the stability region of a synchronized periodic orbit is determined by the Floquet multiplier of the periodic orbit for the uncoupled map, the coupling constant, the smallest and the largest Laplacian eigenvalue of the adjacency matrix. We prove that the stabilization of an unstable τ-periodic orbit via coupling with delay τ is possible only when the Floquet multiplier of the orbit is negative and the connection structure is not bipartite. For a given coupling structure, it is possible to find the values of the coupling strength that stabilizes unstable periodic orbits. The most suitable connection topology for stabilization is found to be the all-to-all coupling. On the other hand, a negative coupling constant may lead to destabilization of τ-periodic orbits that are stable for the uncoupled map. We provide examples of coupled logistic maps demonstrating the stabilization and destabilization of synchronized τ-periodic orbits as well as chaos suppression via stabilization of a synchronized τ-periodic orbit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Method of making a distributed optical fiber sensor having enhanced Rayleigh scattering and enhanced temperature stability, and monitoring systems employing same

A method of making an optical fiber sensor device for distributed sensing includes generating a laser beam comprising a plurality of ultrafast pulses, and focusing the laser beam into a core of an optical fiber to form a nanograting structure within the core, wherein the nanograting structure includes a plurality of spaced nanograting elements each extending substantially parallel to a longitudinal axis of optical fiber. Also, an optical fiber sensor device for distributed sensing includes an optical fiber having a longitudinal axis, a core, and a nanograting structure within the core, wherein the nanograting structure includes a plurality of spaced nanograting elements each extending substantially parallel to the longitudinal axis of the optical fiber. Also, a distributed sensing method and system and an energy production system that employs such an optical fiber sensor device.

42 ENGINEERING↗

Method of making a distributed optical fiber sensor having enhanced Rayleigh scattering and enhanced temperature stability, and monitoring systems employing same

A method of making an optical fiber sensor device for distributed sensing includes generating a laser beam comprising a plurality of ultrafast pulses, and focusing the laser beam into a core of an optical fiber to form a nanograting structure within the core, wherein the nanograting structure includes a plurality of spaced nanograting elements each extending substantially parallel to a longitudinal axis of optical fiber. Also, an optical fiber sensor device for distributed sensing includes an optical fiber having a longitudinal axis, a core, and a nanograting structure within the core, wherein the nanograting structure includes a plurality of spaced nanograting elements each extending substantially parallel to the longitudinal axis of the optical fiber. Also, a distributed sensing method and system and an energy production system that employs such an optical fiber sensor device.

Chen, Peng Kevin↗

Long-term stability of the Leksell Gamma Knife{sup ®} Perfexion™ patient positioning system (PPS)

Purpose: To assess the long-term mechanical stability and accuracy of the patient positioning system (PPS) of the Leksell Gamma Knife{sup ®} Perfexion™ (LGK PFX). Methods: The mechanical stability of the PPS of the LGK PFX was evaluated using measurements obtained between September 2007 and June 2011. Three methods were employed to measure the deviation of the coincidence of the radiological focus point (RFP) and the PPS calibration center point (CCP). In the first method, the onsite diode test tool with single diode detector was used together with the 4 mm collimator on a daily basis. In the second method, a service diode test tool with three diode detectors was used biannually at the time of the routine preventive maintenance. The test performed with the service diode test tool measured the deviations for all three collimators 4, 8, and 16 mm and also for three different positions of the PPS. The third method employed the conventional film pin-prick method. This test was performed annually for the 4 mm collimator at the time of the routine annual QA. To estimate the effect of the patient weight on the performance of the PPS, the focus precision tests were also conducted with varying weights on the PPS using a set of lead bricks. Results: The average deviations measured from the 641 daily focus precision tests were 0.1 ± 0.1, 0.0 ± 0.0, and 0.0 ± 0.0 mm, respectively, for the 4 mm collimator in the X (left/right of the patient), Y (anterior/posterior of the patient), and Z (superior/inferior of the patient) directions. The average of the total radial deviations as measured during ten semiannual measurements with the service diode test tool were 0.070 ± 0.029, 0.060 ± 0.022, and 0.103 ± 0.028 mm, respectively for the central, long, and short diodes for the 4 mm collimator. Similarly, the average total radial deviations measured during the semiannual measurements for the 4, 8, and 16 mm collimators and using the central diode were 0.070 ± 0.029, 0.097 ± 0.025, 0.159 ± 0.028 mm, respectively. The average values of the deviations as obtained from the five annual film pin-prick tests for the 4 mm collimator were 0.10 ± 0.06, 0.06 ± 0.09, and 0.03 ± 0.03 mm for the X, Y, Z stereotactic directions, respectively. Only a minor change was observed in the total radial deviations of the PPS as a function of the simulated patient weight up to 202 kg on the PPS. Conclusions: Excellent long-term mechanical stability and high accuracy was observed for the PPS of the LGK PFX. No PPS recalibration or any adjustment in the PPS was needed during the monitored period of time. Similarly, the weight on the PPS did not cause any significant disturbance in the performance of the PPS for up to 202 kg simulated patient weight.

61 RADIATION PROTECTION AND DOSIMETRY↗

Methods of computing steady-state voltage stability margins of power systems

In steady-state voltage stability analysis, as load increases toward a maximum, conventional Newton-Raphson power flow Jacobian matrix becomes increasingly ill-conditioned so power flow fails to converge before reaching maximum loading. A method to directly eliminate this singularity reformulates the power flow problem by introducing an AQ bus with specified bus angle and reactive power consumption of a load bus. For steady-state voltage stability analysis, the angle separation between the swing bus and AQ bus can be varied to control power transfer to the load, rather than specifying the load power itself. For an AQ bus, the power flow formulation is only made up of a reactive power equation, thus reducing the size of the Jacobian matrix by one. This reduced Jacobian matrix is nonsingular at the critical voltage point, eliminating a major difficulty in voltage stability analysis for power system operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

SU-E-T-338: Ultrastable PRNA 3WJ Nanoparticles as Potential I-125 and C-131 Carriers for Targeted Radiation Therapy

Purpose: To study the feasibility of using the pRNA 3WJ nanoparticles to carry I-125 or Cs-131 to target and treat cancer. As the first step, we investigated the stabilities of pRNA 3WJ nanoparticles that are essential for cancer targeting and treatment in this study. Methods: The thermodynamic stability of assembled RNA 3WJ nanoparticles was studied using the TGGE system. The nanoparticles were irradiated with I-125 or Cs-131 radioactive sources that were immersed in the RNA nanoparticle/DNA structure sample liquid contained in a small vial. The irradiation of the RNA samples was performed for different time periods and doses. The purpose was to distinguish the effects of radiation on DNA and RNA structures. Unradiated samples were used as control. Results: RNA nanoparticles were formed by mixing three pieces of oligos, 3WJa, 3WJb, and 3WJc at 1:1:1 molar ratio. Figure 4 demonstrates that 2′-F modified 3WJ nanoparticles remained stable at temperatures as high as 66.8 ± 2°C, and exhibited melting temperatures of 71 ± 2°C. The radiation stability test was performed with I- 125 and Cs-131 irradiation. Several DNA structures including plasmids were included as control. The first test introduced I-125 and a low dose of 1 Gy to both RNA and DNA samples, but no change was observed. When the dose was increased to 30 Gy, DNA was damaged while RNA remained unchanged. Three tests were also conducted with Cs-131 with 7 Gy, 21 Gy, 30 Gy, and 89 Gy, and the results were similar to those with I-125. Conclusion: pRNA 3WJ nanoparticles are able to form efficiently by onepot self-assembly. They remained stable at high temperatures and high therapeutic doses over a long time. These unique features suggest that RNA 3WJ nanoparticles have the potential to be used for targeted radiation therapy for cancer treatment.

60 APPLIED LIFE SCIENCES↗

A simple, stable, and accurate linear tetrahedral finite element for transient, nearly, and fully incompressible solid dynamics: A dynamic variational multiscale approach [A simple, stable, and accurate tetrahedral finite element for transient, nearly incompressible, linear and nonlinear elasticity: A dynamic variational multiscale approach]

Here, we propose a new approach for the stabilization of linear tetrahedral finite elements in the case of nearly incompressible transient solid dynamics computations. Our method is based on a mixed formulation, in which the momentum equation is complemented by a rate equation for the evolution of the pressure field, approximated with piece-wise linear, continuous finite element functions. The pressure equation is stabilized to prevent spurious pressure oscillations in computations. Incidentally, it is also shown that many stabilized methods previously developed for the static case do not generalize easily to transient dynamics. Extensive tests in the context of linear and nonlinear elasticity are used to corroborate the claim that the proposed method is robust, stable, and accurate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Preliminary Study on the Suitability of a Second-Order Reconstructed Discontinuous Galerkin Method for RELAP-7 Thermal-Hydraulic Modeling

This document presents a preliminary study on the suitability of a second-order reconstructed discontinuous Galerkin (rDG) method for RELAP-7 thermal-hydraulic modeling. The document begins with a brief description of the governing equations for compressible, two-phase vapor and liquid flow, with a presentation of the seven-equation formulation details. A comparative study between the second-order rDG method and the RELAP-7's finite element method (FEM) with a entropy viscosity method (EVM) based numerical stabilization scheme (namely FEM-EVM) over a series of benchmark test problems is demonstrated. The intent for this suite of test problems is to provide baseline comparison data that demonstrate the performance of 1) the rDG solution and 2) the RELAP-7's FEM-EVM solution (with RELAP-7 code version dated August 15, 2017), on problems from single- to specific, limited two-phase flows. For all the test problems in this document, the rDG solutions were obtained with a second-order, two-step, explicit strong stability preserving Runge-Kutta time integration method. The computational results clearly indicate that the performance of the rDG method is superior to that of the RELAP-7's FEM-EVM method in all the test problems presented. Therefore, as far as the test problems in this document are considered, the second-order rDG method is recommended as an improved solution method option for RELAP-7.

97 MATHEMATICS AND COMPUTING↗

A Stability Analysis Tool for Bulk Power Systems Using Black-Box Models of Inverter-Based Resources

This paper presents a small-signal stability analysis tool for large-scale power systems with high penetration of inverter-based resources (IBRs). Firstly, a network transfer function matrix (NTFM), which represents the information of the system topology, transmission lines, loads, IBRs locations, etc., is derived to model the entire power system network. Secondly, small-signal perturbation method is applied to obtain the sequence impedance/admittance models of the block-box IBRs considering the frequency cross-coupling effects. With the obtained NTFM as well as IBR models, a multi-input, multi-output (MIMO) feedback system is constructed, and the generalized Nyquist criterion (GNC)-based stability method is employed to analyze the stability of the entire power system. Furthermore, based on the developed stability analysis method, sensitivity analysis is conducted on an unstable case to identify which parameter has a high impact on the system stability. As a result, different test cases based on a modified IEEE 14- bus system as well as a reduced 240-bus WECC system are studied to verify the proposed stability analysis tool.

42 ENGINEERING↗