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At least 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Role of point defects in the electrical and optical properties of In 2 O 3

Using hybrid density-functional calculations we investigate the effects of native point defects on the electrical and optical properties of In 2 O 3 . We analyze formation energies, transition levels, and local lattice relaxations for all native point defects. We find that donor defects are in general more energetically favorable than acceptor defects, except near O-rich conditions, where oxygen interstitials and indium vacancies have low formation energy in n -type In 2 O 3 . The oxygen vacancy is the lowest-energy donor defect with transition level (2+/+) slightly below and (+/0) slightly above the conduction-band minimum (CBM), with a predicted luminescence peak at 2.3 eV associated with the transition $V$ $^{0}_{O}$ → $V$ $^{+}_{O}$. Despite being a shallow donor, the oxygen vacancy becomes electrically inactive for Fermi levels at or higher than ~0.1 eV above the CBM. As a result, this indicates that conductivity due to oxygen vacancies will saturate at rather low carrier concentrations when compared to typical carrier concentrations required for transparent conducting oxides in many device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Point group symmetry of cadmium arsenide thin films determined by convergent beam electron diffraction

Cadmium arsenide (Cd 3 As 2 ) is one of the first materials to be discovered to belong to the class of three-dimensional topological semimetals. Reported room-temperature crystal structures of Cd 3 As 2 differ subtly in the way the Cd vacancies are arranged within its antifluorite-derived structure, which determines if an inversion center is present and if Cd 3 As 2 is a Dirac or Weyl semimetal. Here, we apply convergent beam electron diffraction (CBED) to determine the point group of Cd 3 As 2 thin films grown by molecular-beam epitaxy. Using CBED patterns from multiple zone axes, high-angle annular dark-field images acquired in scanning transmission electron microscopy, and Bloch wave simulations, we show that Cd 3 As 2 belongs to the tetragonal 4/mmm point group, which is centrosymmetric. In conclusion, the results show that CBED can distinguish very subtle differences in the crystal structure of a topological semimetal, a capability that will be useful for designing materials and thin film heterostructures with topological states that depend on the presence of certain crystal symmetries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Observation of a smoothly tunable Dirac point in Ge ( Bi x Sb 1 - x ) 2 Te 4

State-of-the-art topological devices require the use of topologically protected surface states to drive electronic transport. Here, we examine a tunable topological system, Ge(Bi x Sb 1-x ) 2 Te 4 , for a range of $\mathcal{x}$ values from 0 to 1, using a combination of Fourier transform scanning tunneling spectroscopy and angle-resolved photoemission spectroscopy. Our results show that the Dirac point shifts linearly with $\mathcal{x}$, crossing the Fermi energy near $\mathcal{x}$=0.7. This observation of a smoothly tunable, isolated Dirac point crossing through the topological transport regime and having strong linear dependence with substitution can be critical for future topological spintronics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Native and radiation induced point defects in AlN and Sc-doped AlN

Herein, we have performed first-principles calculations to investigate the electronic structure, configurations, formation, and binding energies of native and radiation induced point defects in pristine and Sc-doped wurtzite AlN. For the native defects, the nitrogen vacancy has the lowest formation energy in p-type material while the aluminum vacancy has the lowest formation energy in n-type material which is consistent with the previous studies. Several interstitial defect structures were modeled for Al, N, and Sc atoms. The effects of charge state on their relative stability were investigated. The binding energy of Sc with point defects was calculated and found to be dependent strongly on the defect type and charge state. The results obtained are discussed in light of the possible Sc effects on the radiation damage evolution in AlN. Thus the attraction of Sc atom to N vacancy and both Al and N interstitials reduces their mobility and increases Frenkel pair recombination distance.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Understanding middle-point inductance's effect on switching transients for multi-chip SiC package design with P-cell/N-cell concept

Middle-point inductance L_middle can be introduced in power module designs with P-cell/N-cell concept. In this paper, the effect of middle-point inductance on switching transients is analyzed first using frequency domain analysis. Then a dedicated multiple-chips power module is fabricated with the capability of varying L_middle, and extensive switching tests are conducted to evaluate the device’s switching performance at different L_middle. Experiment results show that as L_middle changes, different voltage stresses are imposed on the active switch and anti-parallel diode. For lower MOSFET’s turn-off, as L_middle goes up, the maximum voltage of lower MOSFET increases; however, the maximum voltage of anti-parallel diode decreases significantly. In addition to voltage spikes, it is observed that the active MOSFET’s turn-on loss will decrease at higher values of L_middle while its turn-off loss will increase. Detailed analysis of this loss variation is presented. The analysis and experiment results will provide design guidelines for multiple-chips power module package design with P-cell/N-cell concept.

Yang, Fei↗
DOE OSTI2019

Learning Koopman Operators for Systems with Isolated Critical Points

The Koopman operator provides a way to transform a (potentially) nonlinear finite-dimensional dynamical system into an infinite-dimensional linear system by lifting the nonlinear state dynamics into a functional space of observables, where the dynamics are linear. Previous literature has claimed that it is not possible to represent nonlinear dynamics with multiple isolated critical points if the set of observables is finite and contains the state; more precisely, such a set cannot be invariant under the Koopman operator. In this paper, we investigate this claim in more detail and provide an analytical counterexample to disprove it. We also consider the convergence of discretetime Koopman approximation error to the continuous-time error: we show both how this convergence occurs in general and how it can fail for systems with multiple isolated critical points. In particular, discontinuities in Koopman observables at the boundaries of basins of attraction may cause the continuous-time error to diverge; the discretetime error also suffers from this as the sampling time step goes to zero.

Bakker, Craig KR↗
DOE OSTI2021

Intrusion Detection for Cybersecurity of Power Electronics Dominated Grids: Inverters PQ Set-Points Manipulation

This work provides cybersecurity analytics for a high photovoltaic (PV) penetrated distribution network, representing future power electronics dominated grid (PEDG). Firstly, the impact of active and reactive power (PQ) set-points manipulation on the network is studied. Then, an intrusion detection system (IDS) is developed for identifying the potentially compromised PV inverters in the network. The proposed IDS is based on defining the normal, safe, and abnormal operation regions of the PV inverters from point of view of the steady state voltage stability of the network. These three-operation regions are identified by utilizing active power, reactive power, and voltage (PQV) limits of each specific grid-following inverter in the network. Each grid-following inverter's PQV contour includes the information of network topology, inverter ratings, and inverter controller. The developed PQ limits are integrated into the centralized secondary control layer for realization of the proposed IDS. Furthermore, the proposed secondary control layer is capable of providing remedial actions during an anomaly event to enhance the grid resiliency. The theoretical analyses are verified by several attack scenarios for a network of grid-following inverters.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2020

An Interior-Point Solver for Optimal Power Flow Problem Considering Distributed FACTS Devices

In this paper, we propose an AC optimal power flow (ACOPF) model considering distributed flexible AC transmission system (D-FACTS) devices, in which the reactance of D-FACTS equipped lines are introduced as decision variables. This is motivated by increasing interests in using D-FACTS devices to address system operational and cyber-security concerns. First, D-FACTS devices can be incorporated in real-time operations for economic benefits such as managing power congestions and reducing system losses. Second, D-FACTS devices can be utilized by moving target defense (MTD), an emerging concept against cyber-attacks, to prevent attackers from knowing true system configurations. Therefore, system operators can use the proposed ACOPF model to achieve economic benefits and provide the setpoints of D-FACTS devices for MTD at the same time. In addition, we rigorously derive the gradient and Hessian matrices of the objective function and constraints, which are further used to build an interior-point solver of the proposed ACOPF. Numerical results on the IEEE 118-bus transmission system show the validity of the proposed ACOPF model as well as the efficacy of the interior-point solver in minimizing system losses and generation costs.

Liu, Bo↗
DOE OSTI2018

Optimizing Distributed Photovoltaic System Set Points Under Uncertainty

We explore the potential for using dynamic programming (DP) and approximate dynamic programming (ADP) techniques to optimize the set points of distributed photovoltaic (DGPV) inverters under uncertainty about future DGPV deployment. We consider a case where a large (=1MW) system is installed first, and growth in deployment of small rooftop systems is anticipated, but uncertain. We find that for a real feeder (EPRI's J1 feeder), a significant reduction in the number and severity of voltage violations can be expected when DP or ADP is used compared to selecting set points based on the current conditions (the traditional myopic approach). Additionally, we find that using a simple ADP algorithm, sampled backward induction, is more than twice as fast as DP with similar outcomes.

14 SOLAR ENERGY↗
DOE OSTI2021

Impacts of Control Set-Points on Battery Energy Storage Performance for Peak Shaving Application

This article presents the impact of battery energy storage system’s (BESS) control triggers on its performance during peak shaving application. With the increasing deployment of BESS for load leveling and grid capacity relief, the sensitivity of BESS performance to its set-points is yet to be investigated. Most utilities have defined thresholds for activating BESS control during peak demand leveling and baseload BESS charging. However, this study shows that without using optimal setpoints for control applications, the BESS can be under-utilized. Simulations results of the peak shaving algorithm implementation in 30-minute time step over a period of 10 years show the impact of different set-points on distribution transformer loading, line and system losses.

battery energy storage system↗
DOE OSTI2017

A Point Kinetics Model for Estimating Neutron Multiplication of Bare Uranium Metal in Tagged Neutron Measurements

An extension of the point kinetics model is developed in this paper to describe the neutron multiplicity response of a bare uranium object under interrogation by an associated particle imaging deuterium-tritium (D-T) measurement system. This extended model is used to estimate the total neutron multiplication of the uranium. Both MCNPX-PoliMi simulations and data from active interrogation measurements of highly enriched and depleted uranium geometries are used to evaluate the potential of this method and to identify the sources of systematic error. The detection efficiency correction for measured coincidence response is identified as a large source of systematic error. If the detection process is not considered, results suggest that the method can estimate total multiplication to within 13% of the simulated value. Values for multiplicity constants in the point kinetics equations are sensitive to enrichment due to (n, xn) interactions by D-T neutrons and can introduce another significant source of systematic bias. This can theoretically be corrected if isotopic composition is known a priori. Finally, the spatial dependence of multiplication is also suspected of introducing further systematic bias for high multiplication uranium objects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Gamma-Ray Point-Source Localization and Sparse Image Reconstruction using Poisson Likelihood

Gamma-ray imaging trys to reconstruct the spatial and intensity distribution of gamma-emitting radionuclides from a set of measurements. Wholly, this problem is solved by discretizing the spatial dimensions and employing the maximum likelihood expectation maximization (ML-EM) algorithm, with or without some form of regularization. While the generality of this formulation enables use in a wide variety of scenarios, it is susceptible to overfitting, limited by the discretization of spatial coordinates, and can be computationally expensive. We present a novel approach to 3D gamma-ray image reconstruction for scenarios where sparsity may be assumed, for example radiological source search. In this work we first formulate a point-source localization (PSL) approach as an optimization problem where both position and source intensity are continuous variables. We then extend and generalize this formulation to an iterative algorithm called additive point-source localization (APSL) for sparse parametric image reconstruction. A set of simulated source search scenarios using a single non-directional detector are considered, finding improved image accuracy and computational efficiency with APSL over traditional grid-based methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Reconstructing the Position and Intensity of Multiple Gamma-Ray Point Sources with a Sparse Parametric Algorithm

IEEE We present an experimental demonstration of Additive Point Source Localization (APSL), a sparse parametric imaging algorithm that reconstructs the 3D positions and activities of multiple gamma-ray point sources. Using a handheld gamma-ray detector array and up to four 8 μCi 137 Cs gamma-ray sources, we performed both source-search and source-separation experiments in an indoor laboratory environment. In the majority of the source-search measurements, APSL reconstructed the correct number of sources with position accuracies of ~20 cm and activity accuracies (unsigned) of ~20%, given measurement times of two to three minutes and distances of closest approach (to any source) of ~20 cm. In source-separation measurements where the detector could be moved freely about the environment, APSL was able to resolve two sources separated by 75 cm or more given only ~60 s of measurement time. In these source-separation measurements, APSL produced larger total activity errors of ~40%, but obtained source separation distances accurate to within 15 cm. We also compare our APSL results against traditional Maximum Likelihood-Expectation Maximization (ML-EM) reconstructions, and demonstrate improved image accuracy and interpretability using APSL over ML-EM. These results indicate that APSL is capable of accurately reconstructing gamma-ray source positions and activities using measurements from existing detector hardware.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Asymmetric response of Amazon forest water and energy fluxes to wet and dry hydrological extremes reveals onset of a local drought-induced tipping point

Understanding the effects of intensification of Amazon basin hydrological cycling—manifest as increasingly frequent floods and droughts—on water and energy cycles of tropical forests is essential to meeting the challenge of predicting ecosystem responses to climate change, including forest “tipping points”. Here, we investigated the impacts of hydrological extremes on forest function using 12+ years of observations (between 2001–2020) of water and energy fluxes from eddy covariance, along with associated ecological dynamics from biometry, at the Tapajós National Forest. Measurements encompass the strong 2015–2016 El Niño drought and La Niña 2008–2009 wet events. We found that the forest responded strongly to El Niño-Southern Oscillation (ENSO): Drought reduced water availability for evapotranspiration ( ET ) leading to large increases in sensible heat fluxes ( H ). Partitioning ET by an approach that assumes transpiration ( T ) is proportional to photosynthesis, we found that water stress-induced reductions in canopy conductance ( G s ) drove T declines partly compensated by higher evaporation ( E ). By contrast, the abnormally wet La Niña period gave higher T and lower E , with little change in seasonal ET . Both El Niño-Southern Oscillation (ENSO) events resulted in changes in forest structure, manifested as lower wet-season leaf area index. However, only during El Niño 2015–2016, we observed a breakdown in the strong meteorological control of transpiration fluxes (via energy availability and atmospheric demand) because of slowing vegetation functions (via shutdown of G s and significant leaf shedding). Drought-reduced T and G s , higher H and E , amplified by feedbacks with higher temperatures and vapor pressure deficits, signaled that forest function had crossed a threshold, from which it recovered slowly, with delay, post-drought. In conclusion, identifying such tipping point onsets (beyond which future irreversible processes may occur) at local scale is crucial for predicting basin-scale threshold-crossing changes in forest energy and water cycling, leading to slow-down in forest function, potentially resulting in Amazon forests shifting into alternate degraded states.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Nonlinear Heat Transfer From Particles in Supercritical Carbon Dioxide Near the Critical Point

Particle to fluid heat transfer in supercritical carbon dioxide (sCO 2 ) is encountered in energy technologies and in materials synthesis. Near the critical point, the extreme pressure and temperature sensitivity of sCO 2 ’s thermal conductivity will change the expected heat transfer in these systems. This study combines the Kirchoff transformation for thermal conductivity with the conduction shape factor for a sphere, allowing prediction of heat transfer in these systems and quantification of the impact of these property changes. Results show that the heat transfer is non-linear for supercritical heat transfer, with the non-linearity particularly significant near the critical point. The results also show that approaches such as an average thermal conductivity based on film temperature are unlikely to accurately predict heat transfer in this region. The methods described in this paper can be applied to fluid–particle heat transfer at low Reynolds number in other fluids with large variations in thermal conductivity.

42 ENGINEERING↗
DOE OSTI2024

Design-Point Techno-Economics of Brayton Cycle PTES for Combined Heat and Power

Pumped thermal energy storage (PTES) systems are grid batteries that use heat pumps to create both hot and cold thermal energy stores when there is excess electricity and then use a power cycle to convert the thermal energy into electricity when there is demand for electricity. In normal operation, Joule–Brayton PTES discharges low-grade heat at temperatures useful for thermal energy consumers like district and industrial heating. Furthermore, PTES designs, like conventional combined heat and power (CHP) technology, can be modified to sacrifice some round-trip efficiency (RTE) to increase the temperature of heat rejection. Here, this paper uses design-point performance and cost models that provide a detailed understanding of the efficiency and cost tradeoffs of rejecting heat at various temperatures in ideal-gas Brayton PTES configurations. First, we keep the heat rejection in its nominal location in the PTES system: in the discharge cycle after the low-pressure exit of the recuperator before the cold-storage heat exchanger. Next, we move the heat rejection to the discharge turbine exit. We define design-point metrics that isolate both the cost and performance penalty associated with the hotter heat rejection and attribute it exclusively to the heat economic metrics. Finally, we estimate the performance of electric heater technology to generate heat at equivalent temperatures. We find that the levelized cost of heat (LCOH), including the cost of thermal energy storage (TES) buffering the PTES and heat off-taker, compares favorably versus electric technologies and is less than the cost of natural gas for low temperature scenarios and competitive with the cost of natural gas in some regions of the contiguous U.S. in high temperature scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Design-Point Techno-Economics of Brayton Cycle PTES for Combined Heat and Power

Pumped thermal energy storage (PTES) systems are grid batteries that use heat pumps to create both hot and cold thermal energy stores when there is excess electricity and then use a power cycle to convert the thermal energy into electricity when there is demand for electricity. In normal operation, Joule-Brayton PTES discharges low-grade heat at temperatures useful for thermal energy consumers like district and industrial heating. Furthermore, PTES designs, like conventional combined heat and power (CHP) technology, can be modified to sacrifice some round-trip efficiency RTE to increase the temperature of heat rejection. This paper uses design-point performance and cost models that provide a detailed understanding of the efficiency and cost trade-offs of rejecting heat at various temperatures in ideal-gas Brayton PTES configurations. First, we keep the heat rejection in its nominal location in the PTES system: in the discharge cycle after the low-pressure exit of the recuperator before the cold-storage heat exchanger. Next, we move the heat rejection to the discharge turbine exit. We define design-point metrics that isolate both the cost and performance penalty associated with the hotter heat rejection and attribute it exclusively to the heat economic metrics. Finally, we estimate the performance of electric heater technology to generate heat at equivalent temperatures. We find that the levelized cost of heat, including the cost of thermal energy storage (TES) buffering the PTES and heat off-taker, compares favorable versus electric technologies and is less than the cost of natural gas for low temperature scenarios and competitive with the cost of natural gas in some regions of the contiguous United States in high temperature scenarios.

CHP↗
DOE OSTI2013

Control over structure-specific flexibility improves anatomical accuracy for point-based deformable registration in bladder cancer radiotherapy

Purpose: Future developments in image guided adaptive radiotherapy (IGART) for bladder cancer require accurate deformable image registration techniques for the precise assessment of tumor and bladder motion and deformation that occur as a result of large bladder volume changes during the course of radiotherapy treatment. The aim was to employ an extended version of a point-based deformable registration algorithm that allows control over tissue-specific flexibility in combination with the authors' unique patient dataset, in order to overcome two major challenges of bladder cancer registration, i.e., the difficulty in accounting for the difference in flexibility between the bladder wall and tumor and the lack of visible anatomical landmarks for validation. Methods: The registration algorithm used in the current study is an extension of the symmetric-thin plate splines-robust point matching (S-TPS-RPM) algorithm, a symmetric feature-based registration method. The S-TPS-RPM algorithm has been previously extended to allow control over the degree of flexibility of different structures via a weight parameter. The extended weighted S-TPS-RPM algorithm was tested and validated on CT data (planning- and four to five repeat-CTs) of five urinary bladder cancer patients who received lipiodol injections before radiotherapy. The performance of the weighted S-TPS-RPM method, applied to bladder and tumor structures simultaneously, was compared with a previous version of the S-TPS-RPM algorithm applied to bladder wall structure alone and with a simultaneous nonweighted S-TPS-RPM registration of the bladder and tumor structures. Performance was assessed in terms of anatomical and geometric accuracy. The anatomical accuracy was calculated as the residual distance error (RDE) of the lipiodol markers and the geometric accuracy was determined by the surface distance, surface coverage, and inverse consistency errors. Optimal parameter values for the flexibility and bladder weight parameters were determined for the weighted S-TPS-RPM. Results: The weighted S-TPS-RPM registration algorithm with optimal parameters significantly improved the anatomical accuracy as compared to S-TPS-RPM registration of the bladder alone and reduced the range of the anatomical errors by half as compared with the simultaneous nonweighted S-TPS-RPM registration of the bladder and tumor structures. The weighted algorithm reduced the RDE range of lipiodol markers from 0.9-14 mm after rigid bone match to 0.9-4.0 mm, compared to a range of 1.1-9.1 mm with S-TPS-RPM of bladder alone and 0.9-9.4 mm for simultaneous nonweighted registration. All registration methods resulted in good geometric accuracy on the bladder; average error values were all below 1.2 mm. Conclusions: The weighted S-TPS-RPM registration algorithm with additional weight parameter allowed indirect control over structure-specific flexibility in multistructure registrations of bladder and bladder tumor, enabling anatomically coherent registrations. The availability of an anatomically validated deformable registration method opens up the horizon for improvements in IGART for bladder cancer.

60 APPLIED LIFE SCIENCES↗