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DOE OSTI2024

Simulation of open quantum systems via low-depth convex unitary evolutions

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because they typically require ancilla qubits and extensive controlled sequences. In this work, we propose a hybrid quantum-classical approach for simulating a class of open system dynamics called random-unitary channels. These channels naturally decompose into a series of convex unitary evolutions, which can then be efficiently sampled and run as independent circuits. The method does not require deep ancilla frameworks and thus can be implemented with lower noise costs. We implement simulations of open quantum systems up to dozens of qubits and with large channel ranks. Published by the American Physical Society 2024

Peetz, Joseph (ORCID:0000000274458028)↗

DOE OSTI2022

Nonlinear Model Predictive Control Based on Real-Time Iteration Scheme for Wave Energy Converters Using WEC-Sim

One of several challenges that wave energy technologies face is their inability to generate electricity cost-competitively with other grid-scale energy generation sources. Several studies have identified two approaches to lower the levelised cost of electricity: reduce the cost over the device's lifetime or increase its overall electrical energy production. Several advanced control strategies have been developed to address the latter. However, only a few take into account the overall efficiency of the power take-off (PTO) system, and none of them solve the optimisation problem that arises at each sampling time on real-time. In this paper, a detailed Nonlinear model predictive control (NMPC) approach based on the real-time iteration (RTI) scheme is presented, and the controller performance is evaluated using a time-domain hydrodynamics model (WEC-Sim). The proposed control law incorporates the PTO system's efficiency in a control law to maximise the energy extracted. The study also revealed that RTI-NMPC clearly outperforms a simple resistive controller.

model predictive control↗

DOE OSTI2022

Triton Field Trials - Changes in Habitats, a Literature Review of Monitoring Technologies

Marine energy devices are installed in highly dynamic environments and have the potential to affect benthic and pelagic habitats around them. Regulatory bodies often require baseline characterization and/or post-installation monitoring to determine whether changes in these habitats are being observed. However, a great diversity of technologies is available for surveying and sampling marine habitats. Selecting the most suitable instrument to identify and measure changes in habitats at marine energy sites can become a daunting task. We conducted a thorough review of journal articles, survey reports, and grey literature to extract information about the technologies used, the data collection and processing methods, and the performance and effectiveness of these instruments. We examined documents related to marine energy development, offshore wind farms, oil and gas offshore sites, and other marine industries around the world over the last 20 years, as well as national and international guidelines for surveying habitats around offshore activities. A total of 120 different technologies were identified across six main habitat categories: seafloor, sediment, infauna, epifauna, pelagic, and biofouling. The technologies were organized into 12 broad technology classes: acoustic, corer, dredge, grab, hook and line, net and trawl, plate, remote sensing, scrape samples, trap, visual, and others. Visual was the most common and the most diverse technology class, with applications across all six habitat categories. Sampling designs varied considerably among the reviewed studies but transect was the predominant design for surveying seafloor, epifauna, and pelagic habitats. The most common data analyses were univariate and multivariate statistical analyses aimed at calculating and comparing biodiversity indices, characterizing faunal assemblages or sediment classes, or modeling the distribution of animals related to abiotic parameters. Technologies and sampling methods adaptable and designed to work efficiently in energetic environments have greater success at marine energy sites. In addition, sampling designs and statistical analyses should be carefully thought through to identify differences in faunal assemblages and spatiotemporal changes in habitats.

16 TIDAL AND WAVE POWER↗

DOE OSTI2022

Nonlinear Model Predictive Control Based on Real-Time Iteration Scheme for Wave Energy Converters Using WEC-Sim: Preprint

model predictive control↗

DOE OSTI2015

Ultra-low temperature (≤300 °C) growth of Ge-rich SiGe by solid-liquid-coexisting annealing of a-GeSn/c-Si structures

Ultra-low temperature (≤300 °C) growth of Ge-rich SiGe on Si substrates is strongly desired to realize advanced electronic and optical devices, which can be merged onto Si large-scale integrated circuits (LSI). To achieve this, annealing characteristics of a-GeSn/c-Si structures are investigated under wide ranges of the initial Sn concentrations (0%–26%) and annealing conditions (300–1000 °C, 1 s–48 h). Epitaxial growth triggered by SiGe mixing is observed after annealing, where the annealing temperatures necessary for epitaxial growth significantly decrease with increasing initial Sn concentration and/or annealing time. As a result, Ge-rich (∼80%) SiGe layers with Sn concentrations of ∼2% are realized by ultra-low temperature annealing (300 °C, 48 h) for a sample with the initial Sn concentration of 26%. The annealing temperature (300 °C) is in the solid-liquid coexisting temperature region of the phase diagram for Ge-Sn system. From detailed analysis of crystallization characteristics and composition profiles in grown layers, it is suggested that SiGe mixing is generated by a liquid-phase reaction even at ultra-low temperatures far below the melting temperature of a-GeSn. This ultra-low-temperature growth technique of Ge-rich SiGe on Si substrates is expected to be useful to realize next-generation LSI, where various multi-functional devices are integrated on Si substrates.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A Plasma Focus Device with a 2-MA Discharge Current as a Hard X-Ray Source

A device based on a pulsed current generator with capacitive energy storage loaded on a plasma focus (PF) chamber is described. The device provides a discharge current amplitude of up to 2 MA in the PF chamber at a stored energy in the capacitor bank of up to 150 kJ. The PF chamber is designed to study hard X-ray (HXR) emission. It has windows for output of HXR emission in the cathode direction, as well as a special insert for output of HXR emission into the anode cavity. A study of operation of the chamber as a part of the setup with the use of various X-ray targets on the anode has been carried out. At a discharge current of 1.5MA, an HXR pulse with an average duration of 16 ns and energy spectrum from 10 to 200 keV, which provides an absorbed dose in the irradiated samples on the order of 1 Sv, is generated in the PF chamber.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Room temperature multiferroic properties of (Fe{sub x}, Sr{sub 1−x})TiO{sub 3} thin films

This letter reports the structural, dielectric, ferroelectric, and magnetic properties of Fe substituted SrTiO{sub 3} thin films in room temperature. The structural data obtained from x-ray diffraction indicates that (Fe{sub x},Sr{sub 1−x})TiO{sub 3}, the so called FST, transforms from pseudocubic to tetragonal structures with increase of the Fe content in SrTiO{sub 3} thin films, featuring the ferroelectricity, while vibrating sample magnetometer measurements show magnetic hysteresis loops for the samples with low iron contents indicating their ferromagnetism. The characterized ferroelectricity and ferromagnetism confirms strong multiferroitism of the single phase FST thin films in room temperature. Also, an FST thin film metal-insulator-metal multiferroic capacitor has been fabricated and characterized in microwave frequencies between 10 MHz and 5 GHz. A capacitor based on Fe{sub 0.1}Sr{sub 0.9}TiO{sub 3} with a thickness of 260 nm shows a high electric tunability of 18.6% at 10 V and a maximum magnetodielectric value of 1.37% at 0.4 mT with a loss tangent of 0.021 at 1 GHz. This high tuning and low loss makes this material as a good candidate for frequency agile microwave devices such as tunable filters, phase shifters, and antennas.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2013

An RF dosimeter for independent SAR measurement in MRI scanners

Purpose: The monitoring and management of radio frequency (RF) exposure is critical for ensuring magnetic resonance imaging (MRI) safety. Commercial MRI scanners can overestimate specific absorption rates (SAR) and improperly restrict clinical MRI scans or the application of new MRI sequences, while underestimation of SAR can lead to tissue heating and thermal injury. Accurate scanner-independent RF dosimetry is essential for measuring actual exposure when SAR is critical for ensuring regulatory compliance and MRI safety, for establishing RF exposure while evaluating interventional leads and devices, and for routine MRI quality assessment by medical physicists. However, at present there are no scanner-independent SAR dosimeters. Methods: An SAR dosimeter with an RF transducer comprises two orthogonal, rectangular copper loops and a spherical MRI phantom. The transducer is placed in the magnet bore and calibrated to approximate the resistive loading of the scanner's whole-body birdcage RF coil for human subjects in Philips, GE and Siemens 3 tesla (3T) MRI scanners. The transducer loop reactances are adjusted to minimize interference with the transmit RF field (B{sub 1}) at the MRI frequency. Power from the RF transducer is sampled with a high dynamic range power monitor and recorded on a computer. The deposited power is calibrated and tested on eight different MRI scanners. Whole-body absorbed power vs weight and body mass index (BMI) is measured directly on 26 subjects. Results: A single linear calibration curve sufficed for RF dosimetry at 127.8 MHz on three different Philips and three GE 3T MRI scanners. An RF dosimeter operating at 123.2 MHz on two Siemens 3T scanners required a separate transducer and a slightly different calibration curve. Measurement accuracy was ∼3%. With the torso landmarked at the xiphoid, human adult whole‑body absorbed power varied approximately linearly with patient weight and BMI. This indicates that whole-body torso SAR is on average independent of the imaging subject, albeit with fluctuations. Conclusions: Our 3T RF dosimeter and transducers accurately measure RF exposure in body-equivalent loads and provide scanner-independent assessments of whole-body RF power deposition for establishing safety compliance useful for MRI sequence and device testing.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2017

Electromagnetic shielding effectiveness of 3D printed polymer composites

We report on preliminary results regarding the electromagnetic shielding effectiveness of various 3D printed polymeric composite structures. All studied samples were fabricated using 3D printing technology, following the fused deposition modeling approach, using commercially available filaments as starting materials. The electromagnetic shielding performance of the fabricated 3D samples was investigated in the so called C-band of the electromagnetic spectrum (3.5–7.0 GHz), which is typically used for long-distance radio telecommunications. We provide evidence that 3D printing technology can be effectively utilized to prepare operational shields, making them promising candidates for electromagnetic shielding applications for electronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Effect of LiAlO{sub 2} nanoparticle filler concentration on the electrical properties of PEO–LiClO{sub 4} composite

Highlights: ► Structural modification of nano LiAlO{sub 2} filler increased conductivity. ► Good ionic conductivity for (LiAlO{sub 2}){sub 1.5}(PEO){sub 11}(LiClO{sub 4}) at room temperature. ► Nano LiAlO{sub 2} filler enhanced both ion migration and orientation. ► High dielectric properties for (LiAlO{sub 2}){sub 1.5}(PEO){sub 11}(LiClO{sub 4}) at room temperature. - Abstract: Nano-composite polymer electrolytes are receiving attention as potential candidates to be used as electrolyte membranes in lithium polymer batteries and other devices. In this work, polyethylene oxide–LiClO{sub 4} based composite polymer electrolyte was prepared by solution casting method. The effect of LiAlO{sub 2} nanoparticle ceramic filler concentration on the structure and electrical conduction of the composite was studied. Nano-LiAlO{sub 2} was synthesized by sol–gel method. The samples were characterized using X-ray diffraction, Fourier Transmission-Infra Red, Differential Scanning Calorimetry, and tested by dielectric properties, Direct and Alternating current measurements as well as by impedance spectroscopy. All samples showed a behavior referring to an ionic conduction. Generally, the melting temperature of the polymer electrolyte decreased with filler concentration. Both thermal property and filler concentration influenced conductivity value. At room temperature, the highest ionic conductivity was 9.76 × 10{sup −5} ohm{sup −1} cm{sup −1} for sample with a composition of (LiAlO{sub 2}){sub 1.5}(polyethylene oxide){sub 11}(LiClO{sub 4}). All results were correlated and discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2025

High-Throughput Discovery Illuminates Design Principles and Limits for Long-Lived Charged Species in Organic Electrolytes

The chemical stability of charged molecules in all-organic redox flow batteries (RFBs) is required for the prolonged operation of these devices. Molecular engineering and electrolyte optimization are used to mitigate parasitic reactions and extend the lifetimes of the charge carriers. However, how much can structural variation extend the lifetime? To probe this query, we designed a high-throughput kinetic study of the radical cation of N-methylphenothiazinium, guided by statistical sampling and learning algorithms. Using Argonne’s autonomous discovery facility, we conducted over 6,000 kinetic experiments with robotic sample preparation, parallel kinetic measurements, and machine learning inputs, testing 188 solvent molecules selected from a space of over 540 candidates from 11 chemical classes. Algorithmic selections guided us to stable solvent candidates, which were further tested in high concentration with and without supporting electrolyte. Our findings reveal the inherent difficulty of exceeding the current state of the art through solvent variation. The desired stability is statistically rare and poorly predictable. Among the many tested, only three solvents significantly outperformed our baseline, acetonitrile─and none by more than a factor of 3─suggesting a general challenge in achieving the necessary techno-economic targets. Furthermore, we suggest that self-discharge through solvent homolysis is the cause of the observed limitations. Several structural motifs contribute to >1,000 h half-life stability including molecular simplicity, symmetry, oxidation complement, and strategic fluorination. Importantly, this workflow establishes effective assays for diagnosing and predicting oxidative stress for highly stable liquid electrolytes in all batteries.

Batteries↗

DOE OSTI2023

Engineering chirality at wafer scale with ordered carbon nanotube architectures

Creating artificial matter with controllable chirality in a simple and scalable manner brings new opportunities to diverse areas. Here we show two such methods based on controlled vacuum filtration - twist stacking and mechanical rotation - for fabricating wafer-scale chiral architectures of ordered carbon nanotubes (CNTs) with tunable and large circular dichroism (CD). By controlling the stacking angle and handedness in the twist-stacking approach, we maximize the CD response and achieve a high deep-ultraviolet ellipticity of 40 ± 1 mdeg nm -1 . Our theoretical simulations using the transfer matrix method reproduce the experimentally observed CD spectra and further predict that an optimized film of twist-stacked CNTs can exhibit an ellipticity as high as 150 mdeg nm -1 , corresponding to a g factor of 0.22. Furthermore, the mechanical rotation method not only accelerates the fabrication of twisted structures but also produces both chiralities simultaneously in a single sample, in a single run, and in a controllable manner. The created wafer-scale objects represent an alternative type of synthetic chiral matter consisting of ordered quantum wires whose macroscopic properties are governed by nanoscopic electronic signatures and can be used to explore chiral phenomena and develop chiral photonic and optoelectronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2013

Magnetic resonance investigation of Zn{sub 1−x}Fe{sub x}O properties influenced by annealing atmosphere

ZnO is an attractive system for a wide variety of practical applications, being a chemically stable oxide semiconductor. It has been shown that Fe doping produces ferromagnetic semiconductor at room temperature. This material, therefore, has the potential for use in spintronic devices such as spin transistors, spin light emitting diodes, very high density nonvolatile semiconductor memory and optical emitters. It is believed that oxygen vacancies and substitutional incorporation are important to produce ferromagnetism in semiconductor oxide doped with transition metal ions. The present paper reports detailed electron paramagnetic resonance investigations (EPR) of the samples in order to investigate how annealing atmosphere (Air and Argon) influenced the magnetic behavior of the samples. X-band electron paramagnetic resonance (EPR) studies of Fe{sup 3+} ions in Zn{sub 1−x}Fe{sub x}O powders with x = 1%, 3% is reported. These samples are interesting to investigate as Fe doping produce ferromagnetism in ZnO, making a promising ferromagnetic semiconductor at room temperature.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Setup for polarized neutron imaging using in situ 3 He cells at the Oak Ridge National Laboratory High Flux Isotope Reactor CG-1D beamline

Here in the present study, we report a new setup for polarized neutron imaging at the ORNL High Flux Isotope Reactor CG-1D beamline using an in situ 3 He polarizer and analyzer. This development is very important for extending the capabilities of the imaging instrument at ORNL providing a polarized beam with a large field-of-view, which can be further used in combination with optical devices like Wolter optics, focusing guides, or other lenses for the development of microscope arrangement. Such a setup can be of advantage for the existing and future imaging beamlines at the pulsed neutron sources. The first proof-of-concept experiment is performed to study the ferromagnetic phase transition in the Fe3Pt sample. Lastly, we also demonstrate that the polychromatic neutron beam in combination with in situ 3He cells can be used as the initial step for the rapid measurement and qualitative analysis of radiographs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Thermally driven phase transition of halide perovskites revealed by big data-powered in situ electron microscopy

Halide perovskites are promising light-absorbing materials for high-efficiency solar cells, while the crystalline phase of halide perovskites may influence the device’s efficiency and stability. In this work, we investigated the thermally driven phase transition of perovskite (CsPbIxBr3—x), which was confirmed by electron diffraction and high-resolution transmission electron microscopy results. CsPbIxBr3—x transitioned from δ phase to α phase when heated, and the γ phase was obtained when the sample was cooled down. The γ phase was stable as long as it was isolated from humidity and air. A template matching-based data analysis method enabled visualization of the thermally driven phase evolution of perovskite during heating. Here, we also proposed a possible atomic movement in the process of phase transition based on our in situ heating experimental data. The results presented here may improve our understanding of the thermally driven phase transition of perovskite as well as provide a protocol for big-data analysis of in situ experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Accessing the Intrinsic Spin Transport in a Topological Insulator by Controlling the Crossover of Bulk-to-Surface Conductance

Here we report a method to control contributions of bulk and surface states in the topological insulator Bi 2 Te 2 Se that allows accessing the spin-polarized transport endowed by topological surface states. An intrinsic surface dominant transport is established when cooling the sample to low temperature or reducing the conduction channel length, both achieved in situ in the transport measurements with a four-probe scanning tunneling microscope without the need of further tailoring the sample. The topological surface states show characteristic transport behaviors with mobility about an order of magnitude higher than reported before, and a spin polarization approaching the theoretically predicted value. Our result demonstrates accessibility to the intrinsic high mobility spin transport of topological surface states, which paves a way to realizing topological spintronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Cybersecurity Enhancement in Digital Substations: Hidden Markov Model-Based Smart Cyber Switching and Threat Response

The rising incidence of cyber-attacks on critical infrastructure and power grids poses significant threats to the stability and reliability of electrical substations, with potentially devastating consequences such as extended blackouts. This paper introduces an advanced cybersecurity framework aimed at safeguarding IEC 61850-based substations through the integration of software-defined networking (SDN) and digital twin (DT) technologies. The proposed DT-based framework employs smart cyber switching (SCS) for proactive threat mitigation and concurrent intelligent electronic device (CIED) for swift system restoration, thereby maintaining continuous operational integrity and robust cybersecurity defenses. Central to this framework is the adaptive port controller (APC), which enables dynamic port management to adapt to evolving threats, and an intrusion detection system (IDS) designed to detect and neutralize malicious attacks on IEC 61850-based sampled value (SV) and generic object-oriented substation event (GOOSE) messages within the substation’s communication network. Further, novel predictive intrusion detection and response (PIDR) algorithm is implemented on a digital substation (DS) to predict the best route to be taken by the attacker. The efficacy of these comprehensive cybersecurity frameworks is validated through rigorous simulations and a hardware-in-the-loop (HIL) testbed, showcasing the system’s ability to sustain substation operations amidst cyber-attacks.

Digital substation↗

DOE OSTI2023

A Large Area Picosecond Photodetector for Neutron Transmission Measurements at DICER at LANSCE

The Device for Indirect Capture Experiments on Radionuclides (DICER) is a new instrument that is being developed at the Los Alamos Neutron Science Center (LANSCE) to study neutron capture reactions on short-lived radionuclides. To achieve that, DICER is using an indirect technique based on measuring the neutron transmission through very small samples (0.12–1.2 mm in diameter, $\mu \text{g}$ -mg in mass). The main detection system of DICER consists of two dual photomultiplier (PMT)-based detectors which are sensitive to the scintillation light produced when neutrons interact with 6 Li glass disks. DICER is developing a new collimation system that includes a 0.1-mm collimator. In such small sizes, the need for neutron beam imaging is crucial and necessary to confirm the appropriate alignment between the irradiated sample and the neutron detectors. The large area picosecond photodetector (LAPPD) is a multichannel plate (MCP)-based photodetector, with picosecond-level timing, single-photon detection capabilities, and spatial resolution of the order of 1 mm. Coupling the LAPPD with a 6 Li glass scintillator results in a neutron imaging detector. The first irradiation of the LAPPD at DICER indicated that apart from imaging the beam, the LAPPD can be used as the main neutron detection system. Furthermore, these results were proof of principle measurements demonstrating the capabilities of the beamline, and the challenge with small samples will be addressed in the future. The first efforts and developments, including irradiations of the LAPPD and the first beam images, will be presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗