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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Carbon complexes in highly C-doped GaN

We investigate the properties of heavily C-doped GaN grown by hydride vapor phase epitaxy using both optical experiments and hybrid density functional theory calculations. Previous work has established that carbon acceptors (C N ) give rise to a yellow luminescence band near 2.2 eV along with a blue luminescence band near 2.9 eV. Photoluminescence measurements show the yellow band shifting as a function of carbon concentration, suggesting a change in the behavior of carbon species as carbon content increases. With hybrid density functional theory we calculate the electrical and optical behavior of carbon centers containing multiple carbon impurities, which may arise in heavily doped material. We compare the behavior of these complexes to the isolated centers, and find that the dicarbon donor-acceptor (C Ga –C N ) complex is a candidate to explain the shift in the yellow luminescence peak. Tricarbon complexes have high formation energies and modest binding energies, and also give rise to optical transitions that are inconsistent with the observed spectra. We also identify the split dicarbon interstitial on the gallium site as a low-energy species with a large binding energy that may act to compensate carbon acceptors. Here, local vibrational modes are calculated for carbon impurity centers, and we compare these results to recent experiments. Dicarbon and tricarbon complexes involving C Ga and C N exhibit modes that are only slightly higher than the isolated species, while carbon interstitials and related complexes give rise to vibrational modes much higher than C Ga and C N .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Piezoelectric Electron-Phonon Interaction from Ab Initio Dynamical Quadrupoles: Impact on Charge Transport in Wurtzite GaN

First-principles calculations of $\textit{e}$-ph interactions are becoming a pillar of electronic structure theory. However, the current approach is incomplete. The piezoelectric (PE) $\textit{e}$-ph interaction, a long-range scattering mechanism due to acoustic phonons in noncentrosymmetric polar materials, is not accurately described at present. Current calculations include short-range $\textit{e}$-ph interactions (obtained by interpolation) and the dipolelike Frölich long-range coupling in polar materials, but lack important quadrupole effects for acoustic modes and PE materials. Here we derive and compute the long-range $\textit{e}$-ph interaction due to dynamical quadrupoles, and apply this framework to investigate $\textit{e}$-ph interactions and the carrier mobility in the PE material wurtzite GaN. In this work, we show that the quadrupole contribution is essential to obtain accurate $\textit{e}$-ph matrix elements for acoustic modes and to compute PE scattering. Our work resolves the outstanding problem of correctly computing $\textit{e}$-ph interactions for acoustic modes from first principles, and enables studies of $\textit{e}$-ph coupling and charge transport in PE materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Constrained GAN-Generated X-Ray CT Data For Self-Supervised And Foundation-Model Segmentation Of Concrete Microstructures

Three-dimensional characterization of materials using X-ray computed tomography (XCT) is challenging due to the complexity of internal structures, noise, and variations in resolution. Traditional computer vision models often struggle to accurately segment these images, particularly in domain-specific applications like materials science. While supervised deep learning approaches have been developed to address the limitations of conventional algorithms, they typically require large amounts of labeled training data and often fail to generalize across different datasets. Self-supervised, few-and zero-shot learning methods have gained prominence in natural image processing and segmentation tasks, but their application to scientific imaging remains limited due to the unique structural complexity, noise, and textural artifacts present in materials science data. In this work, we investigate how domain adaptation, leveraging physics-based and GAN-generated synthetic data, impacts segmentation performance. We introduce a modified Contrastive Unpaired Translation (CUT) model designed to generate realistic labeled data, which can be used for training, pre-training, and fine-tuning segmentation models for real XCT microstructure data. We evaluate the performance of two segmentation approaches: a self-supervised network (SSL-ALPNet) and a foundation model (Segment Anything Model), assessing their improvements when pre-trained and/or fine-tuned on the synthesized data. Our results demonstrate that leveraging synthetic data significantly enhances segmentation performance, particularly in challenging materials science applications.

Ziabari, Amir [ORNL] (ORCID:000000034776457X)↗
DOE OSTI2020

Experimental Demonstration of Charge-Balanced GaN Super-Heterojunction Schottky Barrier Diode Capable of 2.8 kV Switching

This letter reports an experimental demonstration of charge-balanced GaN super-heterojunction Schottky barrier diodes (SHJ-SBDs). Charge balance between the n-type delta-doping and the p-type doping was achieved by adjusting the thickness of the pGaN. Furthermore, this device structure enabled scaling of breakdown voltage to over 3 kV, and dynamic switching up to 2.8 kV without using any field-plate.

42 ENGINEERING↗
DOE OSTI2022

Data-Driven PMU Noise Emulation Framework using Gradient-Penalty-Based Wasserstein GAN

Availability of phasor measurement unit (PMUs) data has led to research on data-driven algorithms for event monitoring, control and ensuring stability of the grid. Unavailability of infrequent critical event field PMU data with component failures is driving the need to generate realistic synthetic PMU data for research. The synthetic data from power system simulation software often neglect noise profiles of received phasors, thus creating some discrepancies between real PMU data and synthetic ones. To address this issue, this work presents an initial study on the noise characteristics of PMUs, as well as presenting models for recreating their unique noise signatures. The proposed method, utilizing the Wasserstein generative adversarial network with gradient penalty (WGAN-GP) architecture, provides an excellent benchmark for matching the noise distribution. One can use a well-learned GAN model to draw noise signatures from a distribution that seemingly mirrors the real PMU noise distribution, while also being able to be detached from the PMU data once the training is done. Based on the observed results and employed data-driven methodology, it is expected that the proposed methods can be adapted to replicate the behavior of other sensors, providing research and other applications with a tool for data synthesis and sensor characterization.

PMU↗
DOE OSTI2021

12.5 kV GaN Super-Heterojunction Schottky Barrier Diodes

In this work, we report GaN super-heterojunction Schottky barrier diodes (SHJ-SBDs) with substantially improved performance. Metal-2DEG sidewall n-ohmic contacts were deployed to achieve low contact resistance of 0.75 Ω · mm, avoiding the risk of abnormally high contact resistance caused by inaccurate etch depth control. A pGaN notch formed near the cathode successfully eliminated excessive hole conduction caused by the sidewall n-ohmic contact. Isolation was improved by a high-energy Al implantation step. The resulting SHJ-SBD exhibited a breakdown voltage (BV) of 12.5 kV and a specific ON-resistance of 100.8 mΩ · cm 2 .

42 ENGINEERING↗
DOE OSTI2023

UVCGAN: UNet Vision Transformer cycle-consistent GAN for unpaired image-to-image translation

Unpaired image-to-image translation has broad applications in art, design, and scientific simulations. One early breakthrough was CycleGAN that emphasizes one-to-one mappings between two unpaired image domains via generative-adversarial networks (GAN) coupled with the cycle-consistency constraint, while more recent works promote one-to-many mapping to boost diversity of the translated images. Motivated by scientific simulation and one-to-one needs, this work revisits the classic CycleGAN framework and boosts its performance to outperform more contemporary models without relaxing the cycle-consistency constraint. To achieve this, we equip the generator with a Vision Transformer (ViT) and employ necessary training and regularization techniques. Compared to previous best-performing models, our model performs better and retains a strong correlation between the original and translated image. An accompanying ablation study shows that both the gradient penalty and self-supervised pre-training are crucial to the improvement. To promote reproducibility and open science, the source code, hyperparameter configurations, and pre-trained model are available at https: //github.com/LS4GAN/uvcgan.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Analysis of useful ion yield for the Mg dopant in GaN by quadrupole—SIMS

The authors present a quantitative secondary ion mass spectrometry (SIMS) analysis of the useful ion yield of magnesium dopant in a gallium nitride matrix. A quadrupole SIMS instrument was used to analyze an Mg-doped GaN sample grown by metal organic chemical vapor deposition. Oxygen (O2+) was used as the primary ion beam and its energy was varied in the range from 0.5 to 5 kV with and without oxygen flooding near the sample. The results of the analysis can be used to determine the primary beam energies for optimal magnesium sensitivity.

Senevirathna, M. K. Indika (ORCID:0000000243575029↗
DOE OSTI2020

Strong crystal field splitting and polarization dependence observed in the emission from Eu3+ ions doped into GaN

Eu-doped GaN is a promising material with a wide array of potential applications in optoelectronics, optogenetics, micro displays and quantum computing. While this system has been the subject of intense investigation for the last two decades, several questions still remain about certain aspects of its optical properties, such as the polarization dependence of the optical transitions, and the coupling between the 4f-electron configuration and bulk phonons, as well and the appearance of local phonon modes. Moreover, the origin of certain emission peaks remains under debate in the literature. In this proceeding, the results of a systematic series of “site-selective” photoluminescence measurements are presented, where the properties of pulsed and continuous-wave laser excitation, such as polarization and intensity, were controlled.

Copelman, S↗
DOE OSTI2020

Remote heteroepitaxy of GaN microrod heterostructures for deformable light-emitting diodes and wafer recycle

There have been rapidly increasing demands for flexible lighting apparatus, and micrometer-scale light-emitting diodes (LEDs) are regarded as one of the promising lighting sources for deformable device applications. Herein, we demonstrate a method of creating a deformable LED, based on remote heteroepitaxy of GaN microrod (MR) p - n junction arrays on c -Al 2 O 3 wafer across graphene. The use of graphene allows the transfer of MR LED arrays onto a copper plate, and spatially separate MR arrays offer ideal device geometry suitable for deformable LED in various shapes without serious device performance degradation. Moreover, remote heteroepitaxy also allows the wafer to be reused, allowing reproducible production of MR LEDs using a single substrate without noticeable device degradation. The remote heteroepitaxial relation is determined by high-resolution scanning transmission electron microscopy, and the density functional theory simulations clarify how the remote heteroepitaxy is made possible through graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2021

GANISP (GAN-assisted Importance SPlitting)

Genealogical importance splitting marches towards a rare event by iteratively selecting and replicating realizations that are headed towards a rare event. The replication step is made difficult when applied to deterministic systems as the initial conditions of the offspring realizations need to be adjusted. Typically, a random perturbation is applied to the offspring. For some cases, this cloning technique may not be adequate and prevent variance reduction in the probability estimate. A GAN-based replication process is proposed to address this limitation. The perturbations applied to the clones are physically consistent instead of being randomly chosen. The proposed method allows reducing the variance in the probability estimation.

Hassanaly, Malik↗
DOE OSTI2025

Supercontinuum generation in oxide and semiconductor materials (InP, Si, GaN, GaAs, PbMoO 4 , YVO 4 , ZGP, TiO 2 , diamond) pumped by radiation of the Cr:ZnS fs-MOPA system

Ultrashort light sources in the middle-infrared range are highly beneficial for applications such as gas molecular spectroscopy, remote sensing, atmospheric science, medical treatments, and light–matter interaction studies. Ultrafast lasers utilizing chromium-doped ZnS/Se (Cr:ZnS/Se) have proven to be robust and stable solutions within this spectral region. Nonlinear spectral broadening is fundamentally important, as it pushes the pulse duration limits imposed by the bandwidth of laser media. In this study, we demonstrate the spectral broadening and supercontinuum generation in several bulk materials, including InP, Si, GaN, GaAs, PbMoO 4 , YVO 4 , diamond, and TiO 2 , using pump radiation with up to 4 W average power centered at 2.35 µm from a Cr:ZnS femtosecond MOPA system. Some of the investigated materials have excellent potential as effective media for middle-infrared supercontinuum generation, demonstrating the feasibility of developing a single-cycle pulse middle-infrared laser system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Response of GaN-Based Semiconductor Devices to Ion and Gamma Irradiation

GaN has electronic properties that make it an excellent material for the next generation of power electronics; however, its radiation hardening still needs further understanding before it is used in radiation environments. In this work we explored the response of commercial InGaN LEDs to two different radiation environments: ion and gamma irradiations. For ion irradiations we performed two types of irradiations at the Ion Beam Lab (IBL) at Sandia National Laboratories (SNL): high energy and end of range (EOR) irradiations. For gamma irradiations we fielded devices at the gamma irradiation facility (GIF) at SNL. The response of the LEDs to radiation was investigated by IV, light output and light output vs frequency measurements. We found that dose levels up to 500 krads do not degrade the electrical properties of the devices and that devices exposed to ion irradiations exhibit a linear and non- linear dependence with fluence for two different ranges of fluence levels. We also performed current injection annealing studies to explore the annealing properties of InGaN LEDs.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

2021 Annual Progress Report: Vertical GaN Device Development

This project is part of a multi-lab consortium that leverages U.S. research expertise and facilities at national labs and universities to significantly advance electric drive power density and reliability, while simultaneously reducing cost. The final objective of the consortium is to develop a 100 kW traction drive system that achieves 33 kW/L, has an operational life of 300,000 miles, and a cost of less than 6 dollars/kW. One element of the system is a 100 kW inverter with a power density of 100 kW/L and a cost of 2.7 dollars/kW. New materials such as wide-bandgap semiconductors, soft magnetic materials, and ceramic dielectrics, integrated using multi-objective co-optimization design techniques, will be utilized to achieve these program goals. This project focuses on a subset of the power electronics work within the consortium, specifically the design, fabrication, and evaluation of vertical GaN power devices suitable for automotive applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Ultra-Compact High Efficiency Multi-Level Gan-Based PV Inverter

This project developed the key technology for a scalable, high-density photovoltaic (PV) inverter, based on gallium-nitride (GaN) power semiconductors, and advanced digital control. Specifically, we explored the feasibility of a flying-capacitor multi-level inverter for 1.5 kV PV installations, through the development of hardware prototypes utilizing low-inductance commutation loop designs, robust digital control and signaling, and low-cost heatsink integration.

14 SOLAR ENERGY↗
DOE OSTI2022

VTO 2022 Annual Progress Report: Vertical GaN Device Development

This project is part of a multi-lab consortium that leverages U.S. research expertise and facilities at national labs and universities to significantly advance electric drive power density and reliability, while simultaneously reducing cost. The final objective of the consortium is to develop a 100 kW traction drive system that achieves 33 kW/L, has an operational life of 300,000 miles, and a cost of less than $\$$6/kW. One element of the system is a 100 kW inverter with a power density of 100 kW/L and a cost of $\$$2.7/kW. New materials such as wide bandgap semiconductors, soft magnetic materials, and ceramic dielectrics, integrated using multi-objective co optimization design techniques, will be utilized to achieve these program goals. This project focuses on a subset of the power electronics work within the consortium, specifically the design, fabrication, and evaluation of vertical GaN power devices suitable for automotive applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Resilient GaN-based Power Module with Improved Diagnostic for Future Accelerator

Los Alamos Neutron Science Center (LANSCE) and Dual-Axis Radiographic Hydrodynamic Test facility (DARHT) play a pivotal role in advancing scientific research and national security initiatives. As a premier facility for neutron science, LANSCE and DARHT provide invaluable insights into fundamental research, materials science, nuclear physics, high-energy physics, material science, and medical imaging. Existing (DC) power supply and pulse modulation technologies used in LANSCE and DARHT face limitations in terms of reliability, maintainability, and diagnostics which hinder the progress of these cutting-edge facilities. By proposing improvements to LANL accelerator facilities’ performance and addressing component failure, we aim to enhance scientific outcomes and minimize disruptions, allowing for more efficient and productive research activities while ensuring the continuity of valuable contributions to the user community. This proposal aims to revolutionize (DC) power supply and pulse power systems for future particle accelerators via the development of a resilient GaN-based power module with improved diagnostic and redundant submodules.

43 PARTICLE ACCELERATORS↗