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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Modeling the Charge and Exciton Distributions in Phosphorescent White Organic Light-Emitting Diodes

A comprehensive numerical model is developed to quantitatively analyze the charge and exciton distributions in phosphorescent white organic light emitting diodes (WOLEDs). The model encompasses bipolar charge drift-diffusion transport with doping-dependent charge mobilities, field-dependent charge hopping across multiple interfaces, exciton generation, diffusion, energy transfer, radiative decay, and non-radiative exciton annihilation. The model is validated by direct measurement of the exciton distribution in monochromatic phosphorescent OLEDs. It is then applied to complex, multilayer WOLEDs where it is used to accurately predict their intensity and current-dependent spectral shifts. The magnitudes of different exciton loss channels in WOLEDs are calculated and quantitatively compared. This model provides an alternative for the many experimental iterations commonly used to optimize the color balance of complex OLEDs. In this context, the model inspired the addition of a hole blocking layer in the WOLED to balance the charge conduction and reduce spectral shifts – a design that is verified by experiment.

42 ENGINEERING↗
DOE OSTI2022

Electrostatic Relativistic Fluid Models of Electron Emission in a Warm Diode

A semi-analytic fluid model has been developed for characterizing relativistic electron emission across a warm diode gap. Here we demonstrate the use of this model in (i) verifying multi-fluid codes in modeling compressible relativistic electron flows (the EMPIRE-Fluid code is used as an example; see also Ref. 1), (ii) elucidating key physics mechanisms characterizing the influence of compressibility and relativistic injection speed of the electron flow, and (iii) characterizing the regimes over which a fluid model recovers physically reasonable solutions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Modeling a Thermionic Electron Source Using a Physics-Informed Neural Network

We explore the application of Physics-Informed Neural Networks (PINNs) for simulation of thermionic electron sources. This is motivated by the need for quick surrogate models used to simulate such sources within a digital twin of a complete particle accelerator. Here, a PINN was developed on a simplified model of the thermionic source: the planar diode. This model very accurately simulated the system, and performed significantly better than a traditional neural network while also using less training data. We hope to apply this proof-of-concept in motivating the development of a PINN model for a full thermionic electron source at the University of Chicago.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Design optimization of semiconductor piezoresistors with Schottky diode contacts

A modeling theory is developed to predict the performance of piezoresistors which incorporate Schottky diode electrical contacts. This new theory allows the design of high performance gauges which can be fabricated using NonLithographically-Based Microfabrication (NLBM) techniques. These semiconductor piezoresistors can be designed in customizable sizes and fabricated in parallel in order to integrate position sensing into MEMS flexural positioners. Customizable nanopositioning platforms will enable advances in a range of nano-scale fabrication and metrology applications. A semiconductor piezoresistor with Schottky diode contacts was fabricated and attached to a titanium flexure. This device is shown to match predicted electrical performance within about 8% and to show a gauge factor of 116, within 2% of the predicted value. Performance limits for Schottky diode semiconductor piezoresistors are identified to be about 127dB full noise dynamic range for a quarter bridge over a 10kHz sensor bandwidth on a 600µm width titanium flexure, making them ideal for sensing on meso-/micro-scale flexural positioners. Methods of reaching these performance bound are suggested and their impact on the sensor dynamic range are studied.

42 ENGINEERING↗
DOE OSTI2020

Transitions between electron emission and gas breakdown mechanisms across length and pressure scales

This Perspective outlines theoretical, simulation, and experimental studies linking electron emission and gas breakdown. Many studies have investigated field emission-driven microscale gas breakdown, including recent reviews [Garner et al., IEEE Trans. Plasma Sci. 48, 808–824 (2020); Fu et al., Plasma Res. Express 2, 013001 (2020)]. This Perspective focuses on generalizing field emission-driven microscale gas breakdown to consider the contribution of other forms of electron emission, specifically thermionic and space-charge limited. Recent theoretical studies have unified thermionic, field, and space-charge limited emission with and without collisions to derive “nexuses” where the individual solutions match, indicating transitions in the mechanisms. Reducing device size to nanoscale at atmospheric pressure leads to a transition from field emission to space-charge limited emission for nitrogen at ~250 nm. This Perspective summarizes the derivation of these nexuses and future extensions. We next describe simulation and theoretical studies for field emission-driven microscale gas breakdown and highlight how the nexus theory may be integrated to account for temperature, space-charge, and pulse parameters. Finally, we summarize the development of optical techniques to assess microscale gas breakdown and recent nanoscale experiments at atmospheric pressure that suggest that space-charge may begin to contribute to field emission prior to gas breakdown. We highlight the combination of theory, simulation, and experiment to link electron emission and gas breakdown mechanisms across length, pressure, and temperature scales for applications that include vacuum electronics, pulsed power, and medicine.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Numerical simulation of a relativistic magnetron using a fluid electron model

An approach to numerically modeling relativistic magnetrons, in which the electrons are represented with a relativistic fluid, is described. A principal effect in the operation of a magnetron is space-charge-limited (SCL) emission of electrons from the cathode. We have developed an approximate SCL emission boundary condition for the fluid electron model. This boundary condition prescribes the flux of electrons as a function of the normal component of the electric field on the boundary. Here we show the results of a benchmarking activity that applies the fluid SCL boundary condition to the one-dimensional Child–Langmuir diode problem and a canonical two-dimensional diode problem. Simulation results for a two-dimensional A6 magnetron are then presented. Computed bunching of the electron cloud occurs and coincides with significant microwave power generation. Numerical convergence of the solution is considered. Sharp gradients in the solution quantities at the diocotron resonance, spanning an interval of three to four grid cells in the most well-resolved case, are present and likely affect convergence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Incorporation of Alloy Fluctuation Effects for Accurate Modeling of GaN/InGaN/GaN Light Emitting Diodes

III-Nitride light emitting diodes (LEDs) are widely used in a range of high efficiency lighting and display applications, which have enabled significant energy savings in the last decade[1]. To improve the device performance of LEDs, it is imperative to understand the carrier transport, and how it affects forward voltage, extraction efficiency, and other LED characteristics. Despite the wide application of GaN LEDs, transport mechanisms across InGaN/GaN heterostructures in these devices are not well-explained. Fixed polarization sheet charges at InGaN/GaN interfaces lead to large interface dipole charges, which creates large potential barriers to overcome. One-dimensional models for transport across such heterostructures predict turn-on voltages that are significantly higher than that found in real devices. As a result, conventional models for transport cannot be used to design more efficient devices, or to understand the underlying transport and recombination phenomena in InGaN/GaN light emitting diodes. In this work, we show that incorporating low and high Indium compositions within quantum wells at the submicron scale can provide accurate prediction of the characteristics of GaN/InGaN light emitting diodes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Aging Mechanisms of Broad Area ~800 nm Laser Diodes

Here, this work presents a comprehensive study of early aging behavior (<500 hr) in ~800 nm, phosphide-based laser diodes grown by solid-source MBE with different oxygen concentration levels incorporated into the diode epitaxial layers during growth. The data indicate that lasing characteristics prior to aging are degraded by oxygen introduction, but the gradual power degradation rate after the onset of aging is not a strong function of oxygen at these concentration levels. Devices with oxygen concentrations of ~2.5 × 10 15 cm -3 showed significantly longer delay before the onset of aging (incubation time) than devices with less than 1 × 10 15 cm -3 oxygen. Generation-Recombination current and Laser Beam Induced Current measurements indicate that defect densities and aggregation are suppressed at the facets by oxygen, which can explain longer incubation times. Diagnostic data and parametric fits to diode simulation models show that increased cavity optical loss and defect density are primarily responsible for gradual power degradation during aging, rather than changes in nonradiative recombination. Mechanisms are proposed that explain this behavior, based on density functional theory (DFT) simulations and known recombination-enhanced defect generation phenomena.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Carrier Diffusion Lengths in Continuously Grown and Etched-and-Regrown GaN Pin Diodes

Advanced GaN power devices are promising for many applications in high power electronics but performance limitations due to material quality in etched-and-regrown junctions prevent their widespread use. Carrier diffusion length is a critical parameter that not only determines device performance but is also a diagnostic of material quality. Here we present the use of electron-beam induced current to measure carrier diffusion lengths in continuously grown and etched-and-regrown GaN pin diodes as models for interfaces in more complex devices. Variations in the quality of the etched-and-regrown junctions are observed and shown to be due to the degradation of the n-type material. Finally, we observe an etched-and-regrown junction with properties comparable to a continuously grown junction.

42 ENGINEERING↗
DOE OSTI2019

Modeling dislocation-related leakage currents in GaN p-n diodes

Finite element analysis software was used to model and visualize two p-n junction models: one with a single threading dislocation (TD) and a control model without a dislocation. TDs are modeled as a Gaussian distribution of trap states with an FWHM of 5 nm localized around the r=0 line in a cylindrical coordination such that the linear trap state density was 1 trap/c-translation; this model allows the cylindrical symmetry of the c-plane GaN crystal orientation to be utilized to avoid more computationally intensive 3D models. It was discovered that the interaction of the charged dislocation region with the p-n junction had many notable effects. At zero bias, it was observed that the depletion region width (using the Depletion Approximation) and the maximum electric field were markedly reduced near the dislocation line. More significantly, an asymmetric reduction in the diffusion barrier for electrons (Vbieff=3.03eV) and holes (Vbieff=0.81eV) was observed due to the asymmetric nature of the dislocation band bending related to the doping. The asymmetric reductions in diffusion barriers persisted into VA=2.4V leakage case where asymmetric current profiles for electrons and holes were also observed. Lastly, the diffusion barrier reduction resulted in an additional Shockley-Read-Hall nonradiative recombination leakage caused by a high np-product and trap state density near the intersection of the dislocation with the junction.

Robertson, C. A. (ORCID:0000000300122262)↗
DOE OSTI2022

An intermediate model for fitting triplet–triplet annihilation in phosphorescent organic light emitting diode materials

Triplet–triplet annihilation (TTA) is one of the primary contributors to efficiency roll-off and permanent material degradation in phosphorescent organic light-emitting diodes. Here, the two limiting case models typically used to quantify this quenching mechanism are multi-step Dexter and single-step Förster, which, respectively, assume ideal Fickian diffusion or perfect trapping of triplet excitons. For device-relevant guest doping levels (typically 5–12 vol. %), both significant diffusion of excitons and trapping due to spatial and energetic disorder exist, so neither conventional model fits experimental data well. We develop and validate an intermediate TTA model, which is a weighted average of the limiting cases of pure radiative decay (no TTA) and multi-step Dexter based TTA that returns an effective TTA rate constant and a parameter quantifying the portion of well-isolated excitons. Kinetic Monte-Carlo simulations and time-resolved photoluminescence measurements of an archetype host–guest system demonstrate that our intermediate model provides significantly improved fits with more realistic physical values, is more robust to variations in experimental conditions, and provides an analysis framework for the effects of trapping on TTA.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Quantum annealing-aided design of an ultrathin-metamaterial optical diode

Abstract Thin-film optical diodes are important elements for miniaturizing photonic systems. However, the design of optical diodes relies on empirical and heuristic approaches. This poses a significant challenge for identifying optimal structural models of optical diodes at given wavelengths. Here, we leverage a quantum annealing-enhanced active learning scheme to automatically identify optimal designs of 130 nm-thick optical diodes. An optical diode is a stratified volume diffractive film discretized into rectangular pixels, where each pixel is assigned to either a metal or dielectric. The proposed scheme identifies the optimal material states of each pixel, maximizing the quality of optical isolation at given wavelengths. Consequently, we successfully identify optimal structures at three specific wavelengths (600, 800, and 1000 nm). In the best-case scenario, when the forward transmissivity is 85%, the backward transmissivity is 0.1%. Electromagnetic field profiles reveal that the designed diode strongly supports surface plasmons coupled across counterintuitive metal–dielectric pixel arrays. Thereby, it yields the transmission of first-order diffracted light with a high amplitude. In contrast, backward transmission has decoupled surface plasmons that redirect Poynting vectors back to the incident medium, resulting in near attenuation of its transmission. In addition, we experimentally verify the optical isolation function of the optical diode.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Performance Evaluation and Loss Modeling of WBG Devices based on a Novel Double-Pulse Test Method for Current Source Inverter

Careful measurements of the power device characteristics are necessary to accurately estimate a power converter's losses and efficiency. The conventional double-pulse test (DPT) circuit is a well-known method to implement this laboratory characterization of power devices and power modules. However, the switching characteristics of a power device depend on the power electronics circuit in which it is connected as well as the power circuit's physical layout, in addition to the device's internal structure. Hence, the conventional DPT circuit configuration, which is tailored for a standard voltage-source inverter (VSI), is not well-suited for a current-source inverter (CSI). This paper demonstrates a previously-proposed CSI-based DPT measurement technique that is appropriate for normal CSI operation. The characteristics of SiC MOSFETs and series-connected SiC Schottky diodes used in a CSI are measured using this improved technique while taking temperature effects into account to yield more accurate loss predictions. The CSI losses, including the switching and conduction losses of SiC MOSFETs and SiC Schottky diodes, have been modeled using this approach. The total CSI losses and efficiency have been estimated based on the CSI DPT results and loss models.

42 ENGINEERING↗
DOE OSTI2023

Comparative Study and Validation of Photovoltaic Model Formulations for the IBPSA Modelica Library based on Rooftop Measurement Data

Domain-overarching system models are crucial to investigate sector coupling concepts. Specifically, the coupling of building and electrical energy systems becomes crucial to integrate renewable energy sources such as photovoltaic power systems (PV). For such interdisciplinary simulation models, Modelica is a suitable language. However, most open-source Modelica libraries are either domain-specific or lack simple-to-parameterize PV models. We close this gap by developing a PV model for the IBPSA Modelica library. The model comprises two I-V-characteristic models and three mounting-dependent approaches to calculate the cell temperature. The I-V-characteristic models follow a single- and two-diodes approach. This study uses measurement data from a rooftop PV system in Berlin, Germany, for validation. The focus lies on comparing the implemented single- and two-diodes approach. Results prove that both models accurately calculate the modules’ DC power output and cell temperature. The two-diodes approach slightly outperforms the single-diode one at the expense of a higher parameterization effort.

Maier, Laura↗