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At least 1,477 records · Page 82

All sources NASA NTRS DOE OSTI

DOE OSTI2018

Comparative analysis of magnetic resonance in the polaron pair recombination and the triplet exciton-polaron quenching models

We present a comparative theoretical study of magnetic resonance within the polaron pair recombination (PPR) and the triplet exciton-polaron quenching (TPQ) models. Both models have been invoked to interpret the photoluminescence detected magnetic resonance (PLDMR) results in π-conjugated materials and devices. We show that resonance line shapes calculated within the two models differ dramatically in several regards. First, in the PPR model, the line shape exhibits unusual behavior upon increasing the microwave power: it evolves from fully positive at weak power to fully negative at strong power. In contrast, in the TPQ model, the PLDMR is completely positive, showing a monotonic saturation. Second, the two models predict different dependencies of the resonance signal on the photoexcitation power, P L . At low P L , the resonance amplitude Δ I/I is ∝ P L within the PPR model, while it is ∝ P 2 L crossing over to P 3 L within the TPQ model. On the physical level, the differences stem from different underlying spin dynamics. Most prominently, a negative resonance within the PPR model has its origin in the microwave-induced spin-Dicke effect, leading to the resonant quenching of photoluminescence. The spin-Dicke effect results from the spin-selective recombination, leading to a highly correlated precession of the on-resonance pair partners under the strong microwave power. This effect is not relevant for TPQ mechanism, where the strong zero-field splitting renders the majority of triplets off resonance. On the technical level, the analytical evaluation of the line shapes for the two models is enabled by the fact that these shapes can be expressed via the eigenvalues of a complex Hamiltonian. This bypasses the necessity of solving the much larger complex linear system of the stochastic Liouville equations. Lastly, our findings pave the way towards a reliable discrimination between the two mechanisms via cw PLDMR.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Rotational excitations in rare-earth nuclei: A comparative study within three cranking models with different mean fields and treatments of pairing correlations

High-spin rotational bands in rare-earth Er (Z = 68), Tm (Z = 69), and Yb (Z = 70) isotopes are investigated by three different nuclear models. These are (i) the cranked relativistic Hartree-Bogoliubov (CRHB) approach with approximate particle number projection by means of the Lipkin-Nogami (LN) method, (ii) the cranking covariant density functional theory (CDFT) with pairing correlations treated by a shell-model-like approach (SLAP) or the so-called particle-number conserving (PNC) method, and (iii) cranked shell model (CSM) based on the Nilsson potential with pairing correlations treated by the PNC method. A detailed comparison between these three models in the description of the ground-state rotational bands of even-even Er and Yb isotopes is performed. The similarities and differences between these models in the description of the moments of inertia, the features of band crossings, and equilibrium deformations and pairing energies of the even-even nuclei under study are discussed. These quantities are considered as a function of rotational frequency and proton and neutron numbers. The changes in the properties of the first band crossings with increasing neutron number in this mass region are investigated. On average, a comparable accuracy of the description of available experimental data is achieved in these models. However, the differences between model predictions become larger above the first band crossings. Because of the time-consuming nature of numerical calculations in the CDFT-based models, a systematic study of the rotational properties of both ground-state and excited-state bands in odd-mass Tm nuclei is carried out only by the PNC-SCM. With few exceptions, the rotational properties of experimental 1-quasiparticle and 3-quasiparticle bands in 165,167,169,171 Tm are reproduced reasonably well. As a result, the appearance of backbendings or upbendings in these nuclei is well understood from the analysis of the variations of the occupation probabilities of the single-particle states and their contributions to total angular momentum alignment with rotational frequency.

150 ≤ A ≤ 189↗

DOE OSTI2013

Comparative study of nuclear effects in polarized electron scattering from 3 He

We present a detailed analysis of nuclear effects in inclusive electron scattering from polarized 3 He nuclei for polarization asymmetries, structure functions and their moments, both in the nucleon resonance and deep-inelastic regions. We compare the results of calculations within the weak binding approximation at finite Q 2 with the effective polarization ansatz often used in experimental data analyses, and explore the impact of Δ components in the nuclear wave function and nucleon off-shell corrections on extractions of the free neutron structure. Using the same framework we also make predictions for the Q 2 dependence of quasielastic scattering from polarized 3 He, data on which can be used to constrain the spin-dependent nuclear smearing functions in 3 He.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Comparing models for a unitary black hole S matrix

This paper compares features, challenges, and puzzles of different models for a unitary black hole S -matrix, focusing on both recent nonisometric models, as well as “nonviolent unitarization,” which is based on new quantum interactions of a black hole. As a foundation for comparison, the description of real-time Hawking evolution is first overviewed, including leading effects of gravitational dressing and backreaction. Connection is then made to qubit models for evolution, and some technology is outlined to facilitate their description. Important features of both nonisometric models and nonviolent unitarization are investigated in qubit models, which illustrate essential differences between the respective approaches. The nonisometric models present puzzles for understanding evolution of internal outgoing excitations, which can be excited by interactions such as particle decay. Qubit models for nonviolent unitarization are further developed, and nicely illustrate aspects of that approach. Some remaining questions in generalizing to more complete models for evolution are discussed. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2022

Comparative analysis of internal energy excitation and dissociation of nitrogen predicted by independently developed ab initio potential energy surfaces

In this article we present a comparative atomic level study analyzing the vibrational excitation and dissociation of molecular nitrogen due to N 2 ⁢( 1 Σ g ⁢ + )+N⁢( 4 S u ) and N 2 ⁢( 1 Σ g ⁢ + )+N 2 ⁢( 1 Σ g ⁢+ ) interactions governed by independently developed potential energy surfaces at the University of Minnesota and NASA Ames Research Center. Further, vibrational excitation was studied for N 2 +N 2 interactions from T=10000 to 25000 K and for N 2 +N from T=5000 to 30000 K. Nonequilibrium dissociation is studied from T=10000 to 30000 K under the quasi-steady-state condition for N 2 +N 2 and N 2 +N interactions. Finally, an inviscid Mach 20 dissociating nitrogen flow over a cylinder with a Knudsen number of 0.015 is carried out to study the impact of molecular interactions predicted by independently developed potential energy surfaces on a canonical hypersonic flow.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2019

Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the GW plus Bethe-Salpeter approach

We present band structure and optical absorption spectra obtained from density functional theory (DFT) and linear response time-dependent DFT (TDDFT) calculations using a screened range-separated hybrid (SRSH) functional, including spin-orbit coupling, for seven prototypical semiconductors. The results are compared to those obtained from highly converged many-body perturbation theory calculations using the GW approximation and the GW plus Bethe-Salpeter equation (GW-BSE) approaches. We use a single empirical parameter for our SRSH calculations, fit such that the SRSH band gap reproduces the GW band gap at the Γ point. We then find that ground-state generalized Kohn-Sham SRSH eigenvalues accurately reproduce the band structure obtained from GW calculations, typically to within 0.1–0.2 eV, and optical absorption spectra obtained using TDDFT with the SRSH functional agree well with those of GW-BSE, with a mean deviation of 0.03 and 0.11 eV for the location of the first and second absorption peaks, respectively, at a fraction of the computational cost.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions

The quantitative analysis of local ordering principles in disordered crystalline systems has gained much attention over the past few years, as it is often considered crucial for optimizing material functionality. This development has been driven by significant advancements in computational and experimental methods, which have led to the establishment and widespread use of various analytical techniques. In this study, we perform model calculations to compare the effectiveness of atomic resolution holography and three-dimensional difference pair distribution function analysis (3D-ΔPDF). Using Cu 3 Au as a model system, we demonstrate an approach to derive local order parameters quantitatively and show that both techniques are well suited to quantifying chemical short-range order correlations and local bond-distance variations. By evaluating the strengths and limitations of both techniques, we advocate for their combined use to solve complex short-range order problems accurately.

3D-ΔPDF↗

DOE OSTI2016

Comparative analysis of anti-polyglutamine Fab crystals grown on Earth and in microgravity

Huntington's disease is one of nine neurodegenerative diseases caused by a polyglutamine (polyQ)-repeat expansion. An anti-polyQ antigen-binding fragment, MW1 Fab, was crystallized both on Earth and on the International Space Station, a microgravity environment where convection is limited. Once the crystals returned to Earth, the number, size and morphology of all crystals were recorded, and X-ray data were collected from representative crystals. The results generally agreed with previous microgravity crystallization studies. On average, microgravity-grown crystals were 20% larger than control crystals grown on Earth, and microgravity-grown crystals had a slightly improved mosaicity (decreased by 0.03°) and diffraction resolution (decreased by 0.2 Å) compared with control crystals grown on Earth. However, the highest resolution and lowest mosaicity crystals were formed on Earth, and the highest-quality crystal overall was formed on Earth after return from microgravity.

X-ray crystallography↗

DOE OSTI2024

Comprehensive Comparative Analysis: VSI-based vs. CSI-based Motor Drive Systems with Sinusoidal Output Voltage

The emergence of wide-bandgap (WBG) power devices opens opportunities for current source inverters (CSIs) to provide a promising alternative drive configuration for motor drive applications. The sinusoidal output voltage of CSI offers significant advantages for numerous motor drive applications, including reducing the risks associated with motor terminal overvoltages and bearing discharge currents. This paper compares the performance of CSIs and voltage source inverters (VSIs) with the same performance capabilities. More specifically, sine filters are added to the VSI output terminals to match the CSI performance, and a front-end boost converter is added to the VSI to match the CSI’s voltage-boost capability. The results show that the CSI active components require 48% less volume than the VSI, combined with other performance advantages that make it an appealing candidate for some future motor drive applications.

current source inverter, motor drive system, passi↗

DOE OSTI2013

Comparing the Performance of Blue Gene/Q with Leading Cray XE6 and InfiniBand Systems

Abstract—Three types of systems dominate the current High Performance Computing landscape: the Cray XE6, the IBM Blue Gene, and commodity clusters using InfiniBand. These systems have quite different characteristics making the choice for a particular deployment difficult. The XE6 uses Cray’s proprietary Gemini 3-D torus interconnect with two nodes at each network endpoint. The latest IBM Blue Gene/Q uses a single socket integrating processor and communication in a 5-D torus network. InfiniBand provides the flexibility of using nodes from many vendors connected in many possible topologies. The performance characteristics of each vary vastly along with their utilization model. In this work we compare the performance of these three systems using a combination of micro-benchmarks and a set of production applications. In particular we discuss the causes of variability in performance across the systems and also quantify where performance is lost using a combination of measurements and models. Our results show that significant performance can be lost in normal production operation of the Cray XT6 and InfiniBand Clusters in comparison to Blue Gene/Q.

-High Performance Computing, Performance Evaluatio↗

DOE OSTI2022

Comparative Small-Signal Stability Analysis of Grid-Forming and Grid-Following Inverters in Low-Inertia Power Systems: Preprint

Inverter-based resources (IBRs) are gradually replacing conventional fossil energy in modern power systems, which could make the system susceptible due to insufficient inertia, especially when moving towards a 100% inverter-based power grid. Grid-forming (GFM) and grid-following (GFL) controls are two common inverter control algorithms. However, the corresponding stability issues along with a comparative study on low-inertia power systems should still be investigated. This paper focuses on small-signal stability and conducts a comprehensive analysis of GFM and GFL controls, with emphases on the interactions between synchronous generators and IBRs. The detailed modeling of GFM and GFL inverters, and synchronous generators (SGs) are established. The coupling mechanism of IBRs and SGs is then conducted through participation factor analysis. The impacts of critical parameters on system stability are finally identified. The theoretical analyses are validated through time-domain simulation in MATLAB/Simulink.

grid-following↗

DOE OSTI2021

Parametric Comparative Analysis between Virtual Synchronous Generator and Droop-based Inertia for Inverter-Based Microgrids

This paper presents a parametric comparative analysis between the virtual synchronous generator (VSG) method and the droop control method to emulate inertia in the voltage-source inverter (VSI). Droop controllers are commonly used to regulate sharing power in microgrids and distribute power generation proportionally among VSI’s depending on their rated power. Additionally, VSG has been used to regulate the Rate-of-Change-of-Frequency (RoCoF) of the microgrid using virtual inertia. Although both methods can be used to regulate the frequency variation, the influence of each method on the closed loop eigenvalues is not the same. In this work, the transient response of the frequency is analyzed for each method to determine their advantages and disadvantages regarding frequency regulation in microgrid applications. The results were verified by conducting experimental trials using VSI’s. These experiments demonstrated that VSG is more suitable for regulating RoCoF and frequency nadir than droop controllers since it provides inertial support and improves frequency response.

Campo-Ossa, Daniel D.↗

DOE OSTI2024

Enabling Fairness in Distributed PV Curtailment for Voltage Regulation: A Comparative Analysis

The growing adoption of photovoltaic systems in power distribution networks has yielded numerous advantages, but it has also introduced challenges, particularly in managing overvoltage issues. Uncoordinated photovoltaic integration can lead to voltage rise beyond acceptable levels. Curtailing active power is an effective method for addressing overvoltage issues in power distribution systems. Nevertheless, it is essential to distribute the curtailment fairly among the resources to maintain fairness and achieve a well-balanced utilization of renewable energy. This paper presents a comparative study of different fairness schemes for active power curtailment in photovoltaic integration systems. Three different curtailment methods are selected for demonstration: i) proportional, ii) egalitarian, and iii) financial. The study involves evaluating the curtailment schemes based on their ability to distribute the curtailed power among the photovoltaic systems in a justifiable manner, focusing on their formulation and distributed solution. A detailed performance comparison is carried out to highlight the cost of catering for fairness schemes in photovoltaic curtailment using relevant metrics, where simulations are carried out using a modified IEEE 123-bus test case.

Mukherjee, Monish↗

DOE OSTI2026

A System Level Comparative Study of SecondarySide Rectifiers for UAV Wireless Power Transfer in High-Altitude Airborne Energy Platforms

Wireless power transfer (WPT) systems for unmanned aerial vehicles (UAVs) must satisfy stringent design requirements to ensure reliable operation under constraints related to efficiency, thermal performance, altitude, weight, and reliability, particularly in airborne and high-altitude environments. Thermal management becomes increasingly challenging at higher altitudes due to reduced air density, while reliability is strongly affected by the number and complexity of active components. The weight and compactness of secondary-side rectifiers directly impact UAV flight endurance and system integration, influencing energy consumption and payload allocation. These factors collectively define the practical feasibility of UAV WPT systems and guide rectifier topology selection. This paper presents a comparative and experimentally validated evaluation framework for secondary-side rectifiers under UAV-specific constraints. Three representative rectifier architectures are analyzed using component-based assessment of weight, thermal behavior, and reliability, together with experimental efficiency measurements obtained from a 1 kW WPT prototype. The results show that the single-switch active rectifier achieves the highest peak efficiency of approximately 93.2% and an overall efficiency of 91%, while also offering advantages in weight and reliability. The findings demonstrate how constraint-oriented analysis, combined with experimental validation, enables informed selection of secondary-side rectifiers for UAV wireless power transfer applications, including emerging airborne and high-altitude platforms.

Asa, Erdem [ORNL] (ORCID:0000000190884812)↗

DOE OSTI2026

A Unified Scaling Framework for Comparative Analysis of Major Electrical Machine Topologies

This paper presents a unified framework for comparing major electrical machine topologies under identical output and thermal constraints, with emphasis on supply-chain-aware selection among rare-earth-intensive, reduced-rare-earth, and rare-earth-free solutions. Using power factor and air-gap flux density as the principal descriptors, the framework links topology choice to relative size, copper demand, magnet dependence, cost sensitivity, and inertia. To support robust early-stage screening, the deterministic scaling model is combined with uncertainty representation, Monte Carlo scenario propagation, and hesitationaware ranking. The results show that rare-earth-rich machines remain compact and dense, whereas reduced-rare-earth and rare-earth-free alternatives become more attractive under specific material-risk and cost scenarios.

Kumar, Praveen [ORNL] (ORCID:0000000291877857)↗

DOE OSTI2019

A Comparative Study of Two Widely Used Grid-Forming Droop Controls on Microgrid Small Signal Stability

Throughout history, two similar grid-forming droop controls are widely reported in literature—the single-and multi-loop droop controls. Although being very similar, the authors find that the dynamic performance and stability characteristics of each control method are very different in a microgrid. Compared with single-loop droop control, the multi-loop droop control is prone to be less damped and loses stability more easily under some circumstances. This paper provides a novel insight into the different dynamic responses of the two basic controls. It points out that the two similar controls adjust the angular frequency and voltage magnitude at different locations within the inverter, resulting in different coupling reactances that impact the dynamic response and stability of microgrids differently. The use of single-loop droop control results in a larger coupling reactance, which helps to improve dynamic response and stability. This novel insight is verified through full-order small signal analysis, offline electromagnetic transient simulation, and real-time hardware-in-the-loop simulation experiments. Results show that the microgrid has a larger small signal stability boundary when using single-loop droop control, and this difference increases as the value of an inverter’s inner filter inductance increases.

42 ENGINEERING↗

DOE OSTI2019

SOI-MEMS Bulk Piezoresistive Displacement Sensor: A Comparative Study of Readout Circuits

Performance of several readout circuits, when applied to a MEMS-based bulk piezoresistive displacement sensor is compared in this study. The sensor comprises a pair of tilted clamped-guided silicon beams whose bulk piezoresistivity is used for displacement sensing. Wheatstone half-bridge, constant-voltage, and constant-current circuits are implemented to measure resistance changes of this sensor. We report full characterization of the sensor with these circuits and explore the sensor’s important characteristics such as linearity, bandwidth, and noise. The results reveal that the constant-current circuit provides the highest sensitivity at equal-power bias condition. Here, we find that the resolution of the sensor is degraded from 1.6 nm with the Wheatstone half-bridge and constant-voltage circuits to about 4.2 nm with the constant-current configuration. In the frequency domain, the sensor captures the full dynamics of the MEMS nanopositioner up to 20 kHz with all readout circuits.

42 ENGINEERING↗

DOE OSTI2016

High-Performance and Traditional Multicrystalline Silicon: Comparing Gettering Responses and Lifetime-Limiting Defects

In recent years, high-performance multicrystalline silicon (HPMC-Si) has emerged as an attractive alternative to traditional ingot-based multicrystalline silicon (mc-Si), with a similar cost structure but improved cell performance. Herein, we evaluate the gettering response of traditional mc-Si and HPMC-Si. Microanalytical techniques demonstrate that HPMC-Si and mc-Si share similar lifetime-limiting defect types but have different relative concentrations and distributions. HPMC-Si shows a substantial lifetime improvement after P-gettering compared with mc-Si, chiefly because of lower area fraction of dislocation-rich clusters. In both materials, the dislocation clusters and grain boundaries were associated with relatively higher interstitial iron point-defect concentrations after diffusion, which is suggestive of dissolving metal-impurity precipitates. The relatively fewer dislocation clusters in HPMC-Si are shown to exhibit similar characteristics to those found in mc-Si. Given similar governing principles, a proxy to determine relative recombination activity of dislocation clusters developed for mc-Si is successfully transferred to HPMC-Si.

14 SOLAR ENERGY↗