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At least 433 records · Page 24

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DOE OSTI2021

Correlation between ferroelectricity and ferroelectric orthorhombic phase of Hf x Zr 1-x O 2 thin films using synchrotron x-ray analysis

The change in the interplanar spacing ( d -spacing) including the ferroelectric orthorhombic (O) phase in the low-temperature fabricated Hf x Zr 1-x O 2 (HZO) films was studied using synchrotron grazing-incidence wide-angle x-ray scattering analysis. The 10-nm-thick HZO films were fabricated by thermal and plasma-enhanced atomic layer deposition (TH- and PE-ALD) methods using H 2 O gas and O 2 plasma as oxidants, respectively, and a post-metallization annealing (PMA) was performed at 300–400 °C. The d -spacing of the mixture of (111)-, (101)-, and (111)-planes of O, tetragonal (T), and cubic (C) phases, respectively, for the TH- and PE-ALD HZO films increased up to 2.99 Å with an increase in PMA temperature, while the d -spacing estimated by conventional x-ray diffraction was 2.92 Å regardless of the PMA temperature. The remanent polarization (2 P r = P r + - P r - ) of the HZO films increased as the PMA temperature increased. It is clear that the 2 P r value satisfied a linear relationship as a function of the d -spacing of O(111)/T(101)/C(111) phases. Furthermore, the wake-up effect was found to depend on the ferroelectric O phase formation. The wake-up effect was significantly reduced in both the TH- and PE-ALD HZO films after the PMA at 400 °C due to the increase in the ferroelectric O phase formation. The leakage current density ( J )–electric field properties of the PE-ALD HZO film with the lowest d -spacing were divided into three steps, such as low, middle, and large J values, in the wake-up (10 3 cycles), pristine (10 0 cycle), and fatigue (10 7 cycles) states, respectively. Therefore, an analysis of the ferroelectric O phase is very important for understanding the ferroelectricity including endurance.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Two-dimensional parametric design of short pulse laser driven iron opacity experiments

High intensity short pulse lasers are commonly used to create high temperature and high density plasmas. These plasmas are used to study fundamental properties such as the equation of state and opacity. The targets often use small-diameter, thin buried layers of the materials of interest, surrounded by a tamper of low atomic number material such as plastic. Computational modeling is used to design and interpret experiments with short pulse lasers. Most of the modeling to date has assumed one-dimensional plane-parallel geometry. In this paper, the effects of radial gradients in the irradiation of thin planar targets are studied with one- and two-dimensional radiation/hydrodynamic simulations. It is found that the main effect of radial gradients is the averaging of plasma conditions and x-ray emission over the pattern of irradiation. Additionally, differences between one- and two-dimensional simulations arise because the plasma conditions and x-ray emission are, in general, nonlinear functions of the temperature of the plasma and thereby also nonlinear functions of the irradiation intensity. The differences increase with the ratio of the buried layer radius to the laser spot radius. The root mean square difference in the inferred iron L-shell opacity is less than 30% when the ratio is less than 1.0 and about 70% when the ratio is 1.5.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Morphology, microstructure, and doping behaviour: A comparison between different deposition methods for poly-Si/SiO x passivating contacts

In this work, we study how crystallographic structures, optoelectronic properties, and nanoscale surface morphologies of ex situ phosphorus-doped polycrystalline silicon (poly-Si)/SiO x passivating contacts, formed by different deposition methods (sputtering, plasma-enhanced chemical vapour deposition [PECVD], and low-pressure chemical vapour deposition [LPCVD]), are investigated and compared. Across all these deposition technologies, we noted the same trend: higher diffusion temperatures yield films that are more crystalline but that have rougher surface morphologies due to bigger surface crystal grains. Also, the recrystallization process of the as-deposited Si films starts from the SiO x interface, rather than from the film surface and bulk. However, there are some distinct differences among these technologies. First, the LPCVD method yields the lowest deposition rate, roughest surfaces, and smallest degree of crystallinity on finished poly-Si films. In contrast, the PECVD method has the highest deposition rate and smoothest surfaces for both as-deposited Si and annealed poly-Si films. Second, as-deposited sputtered and PECVD Si films contain only an amorphous phase, whereas as-deposited LPCVD films already has some crystalline phase. Third, the LPCVD phosphorus in-diffusion into the substrate depends strongly on the initial film thickness, whereas for the other two methods, it is weakly dependent on thickness. Finally, the passivation quality of every poly-Si film type has different responses to the film thickness and diffusion temperature, suggesting that the ex situ doping optimization should be performed independently.

14 SOLAR ENERGY↗

DOE OSTI2020

Target normal sheath acceleration with a large laser focal diameter

In this work, the dependence of the laser-driven ion acceleration from thin titanium foils in the Target Normal Sheath Acceleration (TNSA) regime on target and laser parameters is explored using two dimensional particle-in-cell simulations. The oblique incidence (θ L = 45°) and large focal spot size (w 0 = 40μm) are chosen to take an advantage of quasi one-dimensional geometry of sheath fields and effective electron heating. This interaction setup also reveals low and achromatic angular divergence of a proton beam. It is shown that the hot electron temperature deviates from the ponderomotive scaling for short laser pulses and small pre-plasmas. This deviation is mainly due to the laser sweeping, as the short duration laser pulse each moment in time effectively heats only a fraction of a focal spot on the foil. This instantaneous partial heating results in an electron temperature deviation from the ponderomotive scaling and, thus, lower maximum proton energies than it could have been expected from the TNSA theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Current polarity effects on laboratory plasma jets

Plasma jets produced by a pulsed power machine were investigated using Thomson scattering and other diagnostics in order to make detailed comparisons to simulations. These jets were produced from a 15 μm thick disc of Al foil on a 1.2 MA, 100 ns rise time, pulsed power machine. Experiments were performed with both a radially inward and a radially outward current ow in the Al foil to investigate the effects of voltage polarity in the experiments and determine how extended magnetohydrodynamic (XMHD) effects, such as the Hall effect, change the formation of the jet. We recorded Thomson scattering spectra with a low enough laser energy to not perturb the plasma, while providing a high enough signal to noise ratio to resolve the scattered features. This enabled the measurement of the electron temperature in the jet region of the plasma, 15.5±4 eV for both current polarities. Jets with a radially outward current ow were heated more from inverse bremsstrahlung when 10 J of laser energy was used, implying that these jets are denser than the ones with a radially inward current. This higher density was con rmed by interferometry measurements. Experimental results were compared with XMHD computer simulations, which predicted electron temperatures 1.5 to 3 σ above those measured, and significantly higher density than experiments in both polarities. In this paper, possible sources of this discrepancy are discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Patterned, Low-Temperature Growth of Transition Metal Dichalcogenides for Low Resistance Raised Contacts

Transition metal dichalcogenide (TMD) monolayers are promising channel materials for next-generation electronic devices. A challenge is the high contact resistance between monolayer TMDs and metal contacts, especially for holes. Here, in this regard, raised source/drain contacts are promising. However, the direct, patterned growth of raised contacts at CMOS-compatible temperatures remains largely unresolved. We present plasma-free selenization and sulfurization of metal oxides at substrate temperatures down to 400 °C, compatible with back-end-of-line thermal budgets. To achieve growth at such temperatures, gas-phase chalcogen precursors are first thermally activated at 950 °C. Films grown on single-crystal monolayer TMDs exhibit high crystal quality, as confirmed by transmission electron microscopy. Raised contacts on WSe 2 monolayers fabricated using this approach yield a low hole contact resistance of 0.3 kΩ·μm after chemical doping. This process is shown to be applicable to growing various TMDs, including WS 2 , MoSe 2 , MoS 2 , PtSe 2 , and NbS 2 .

contact engineering↗

DOE OSTI2023

The homogeneous mixing of MgO and H 2 O at extreme conditions

Investigating water worlds presents a unique opportunity to understand the fundamental processes of planetary formation and evolution. One key aspect is characterizing the interactions between water and rock under the pressures and temperatures present within these worlds. Investigating the conditions for the homogeneous mixing of these materials is imperative to characterizing bulk properties and evolution of water-rich exoplanets. Here, in this study, we use density functional molecular dynamics simulations to study MgO-H 2 O mixtures at high pressure–temperature conditions where H 2 O occurs in solid, superionic, or liquid form. MgO, the representative rocky material, can be either solid or liquid. We start from 500 K at 120 GPa, increasing the temperature step by step up to 8000 K. By inspection, we determine the temperature at which MgO-HO homogeneously mix in our simulations. At 6000 K and 174 GPa is when we find the system to homogeneously mix. This heat-until-it-mixes approach provides us with an upper bound on the temperature for the mixing of MgO and H 2 O. We find that homogeneous mixing occurs at sufficiently low temperatures to be relevant for the collisional growth of a water-rich planet.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Responses of the Plant Cell Wall to Sub-Zero Temperatures: A Brief Update

Our general understanding of plant responses to sub-zero temperatures focuses on mechanisms that mitigate stress to the plasma membrane. The plant cell wall receives comparatively less attention, and questions surrounding its role in mitigating freezing injury remain unresolved. Despite recent molecular discoveries that provide insight into acclimation responses, the goal of reducing freezing injury in herbaceous and woody crops remains elusive. This is likely due to the complexity associated with adaptations to low temperatures. Understanding how leaf cell walls of herbaceous annuals promote tissue tolerance to ice does not necessarily lead to understanding how meristematic tissues are protected from freezing by tissue-level barriers formed by cell walls in overwintering tree buds. In this mini-review, we provide an overview of biological ice nucleation and explain how plants control the spatiotemporal location of ice formation. We discuss how sugars and pectin side chains alleviate adhesive injury that develops at sub-zero temperatures between the matrix polysaccharides and ice. The importance of site-specific cell-wall elasticity to promote tissue expansion for ice accommodation and control of porosity to impede ice growth and promote supercooling will be presented. How specific cold-induced proteins modify plant cell walls to mitigate freezing injury will also be discussed. The opinions presented in this report emphasize the importance of a plant’s developmental physiology when characterizing mechanisms of freezing survival.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Thermal-Fluid and Thermal-Structural Response of the T-Tube Modular Divertor to Spatiotemporally Varying Heat Loads

Tungsten (W) is the leading candidate for divertor target plates because of its high melting point (>3000°C), thermal conductivity, and ultimate tensile stress. While W and its alloys are the only solid materials that can survive the high heat fluxes incident on the divertor, W’s low-ductility high ductile-to-brittle transition temperature of ~600°C and relatively low recrystallization temperature (RT) of ~1300°C pose structural (among other) challenges. The objective of this work is to estimate the thermal-fluid and thermal-structural performance of the helium (He)-cooled T-tube divertor, which was originally developed by the Advanced Reactor Innovation and Evaluation Study (ARIES) using numerical simulations. Here, predictions of temperature distributions across the plasma-facing structural component and surface pressures from computational fluid dynamics simulations are used to determine stress distributions using commercial structural finite element modeling software over a range of fusion-relevant conditions. The maximum allowable incident heat fluxes are determined based on the temperature limits imposed by the ITER elastic Structural Design Criteria for In-vessel Components (SDC-IC) and the maximum RT over a range of He mass flow rates and presented in the form of performance design charts. Our recent work found that thermal- structural criteria accounting for the low ductility of W in a finger-type modular divertor constrain the maximum incident heat fluxes to values well below the ITER specifications, and those based on considering only the RT demonstrate that integrated thermal-fluid and elastic structural performance evaluation are required for accurate assessment of divertor performance. This novel analysis of the T-tube considers how nonuniform and transient incident heat fluxes affect its thermal-fluid and thermal-structural performance, as well as the effect of volumetric heating, which can be as great as 27% of the power incident on the divertor surface. The W tile of the T-tube, with its relatively large plasma-facing area of ~15 cm 2 , will likely experience significant spatial variations in incident heat flux. This work therefore assesses whether steady-state incident heat flux profiles with a peak of 10 MW/m 2 and maximum heat flux gradients of 200 MW/m 2 per m exceed the structural limits imposed by the ITER elastic SDC-IC and the maximum RT over a range of fusion-relevant conditions. The effect of transient heat fluxes typical of plasma detachment and reattachment from the target plate due, for example, to gas injection are also evaluated

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Analysis of the ECH effect on EPM/AE stability in Heliotron J plasma using a Landau closure model

The aim of the present study is to analyze the effect of the electron cyclotron heating (ECH) on the linear stability of Alfvén eigenmodes (AEs) and energetic particle modes (EPMs) triggered by energetic ions in Heliotron J plasma. The analysis is performed using the FAR3d code that solves a reduced MHD model to describe the thermal plasma coupled with a gyrofluid model for the energetic particle (EP) species. The simulations reproduce the AE/EPM stability trends observed in the experiments as the electron temperature (T e ) increases, modifying the thermal plasma β, EP β and EP slowing-down time. Particularly, the $n/m = 1/2$ EPM and $2/4$ Global AE are stabilized in the low-bumpiness (LB) configuration due to an enhancement of the continuum, finite Larmor radius and e-i Landau damping effects as the thermal β increases. On the other hand, a larger ECH injection power cannot stabilize the AE/EPM in medium-bumpiness and high-bumpiness (HB) configurations because the damping effects are weaker compared to the LB case, unable to balance the further destabilization induced by an enhanced EP resonance as the EP slowing-down time and EP β increases with T e .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Relativistic Laser Plasma Interactions At The Highest Intensities

High energy density science (HEDS) explores the nature of matter under extreme conditions of temperature and pressure. It is of fundamental importance and has many applications such as facilitating imaging with ions, neutrons, x-rays, and gamma rays with new applications being developed, including materials processing and medical therapies. In this project, we used high power, ultrashort pulse lasers to reach HEDS conditions. We have shown that low-cost, liquid crystal film based, double plasma mirror systems can be used to greatly improve laser pulse contrast while still maintaining high power and excellent spatial mode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Finite ion temperature effects on electrostatic instabilities in partially magnetized plasmas

In this paper, the effects of warm ions on electrostatic, kinetic instabilities observed in partially magnetized plasmas, such as the electron cyclotron drift instability (ECDI) and modified two-stream instability (MTSI), are investigated. The kinetic dispersion relation that accounts for warm, non-magnetized ions and warm, magnetized electrons is solved using a complex root-finding technique [A. C. Denig and K. Hara, Phys. Plasmas 30, 032108 (2023)]. It is observed that finite ion temperature introduces ion Landau damping effects, decreasing the growth rate of most unstable modes. The high-frequency, short-wavelength ECDI modes are more strongly affected by ion Landau damping than the low-frequency, long-wavelength MTSI modes. The solutions of the kinetic dispersion relation for MTSI are compared with the fluid dispersion relation of MTSI, which was originally proposed by McBride et al. [Phys. Fluids 15 2367–2383 (1972)]. The differences in the dispersion characteristics between the kinetic and fluid MTSI limits are assessed, illustrating the effects of electron and ion Landau damping on kinetic instabilities in partially magnetized plasmas.

Denig, A. C. (ORCID:0000000253339572)↗

DOE OSTI2026

Flash electropolishing for TEM: Reducing FIB‐induced defects in tungsten with protocols for new materials

Focused ion beam (FIB) milling has become the dominant approach for site-specific transmission electron microscopy (TEM) specimen preparation; however, FIB damage remains a critical limitation for reliable microstructural characterisation, particularly in radiation effects studies. Tungsten is especially susceptible to FIB damage due to its high nuclear stopping power, which promotes the formation and strong diffraction contrast of FIB-induced ‘black spot’ defects that are indistinguishable from very fine irradiation-induced loops/defects resulting from low to intermediate temperature neutron irradiation. In this work, flash electropolishing is systematically evaluated as a post-FIB treatment for minimising preparation-induced artefacts for TEM analysis of tungsten-based alloys. Using a range of non-, ion-, and neutron-irradiated tungsten materials, the effectiveness of flash electropolishing has been assessed through direct comparison with conventional FIB and plasma-FIB preparation including low-energy Ga, Ar, Xe ion cleaning. The results demonstrate that flash electropolishing effectively removes FIB-damaged layers and ‘black spot’ defects, thereby enabling reliable observation of irradiation-induced dislocation structures. Key processing parameters governing flash electropolishing quality – including lamella thickness, applied voltage, polishing duration, electrolyte chemistry, and cathode geometry – have been systematically evaluated, and clear criteria were established for determining when flash electropolishing is required to ensure reliable microstructural analysis. This work also provides practical guidance for implementing flash electropolishing as an artefact-controlled specimen-preparation approach for TEM characterisation of FIB-produced specimens. The systematic protocol can be extended to other, non-tungsten materials.

TEM sample preparation↗

DOE OSTI2024

A First-Principles Study of the Structural and Thermo-Mechanical Properties of Tungsten-Based Plasma-Facing Materials

Tungsten (W) and tungsten alloys are being considered as leading candidates for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for the design of magnetic and inertial fusion energy reactors are its high melting point, high thermal conductivity, low sputtering yield, and low long-term disposal radioactive footprint. Despite these relevant features, there is a lack of understanding of how the structural and mechanical properties of W-based alloys are affected by the temperature in fusion power plants. In this work, we present a study on the thermo-mechanical properties of five W-based plasma-facing materials. First-principles density functional theory (DFT) calculations are combined with the quasi-harmonic approximation (QHA) theory to investigate the electronic, structural, mechanical, and thermal properties of these W-based alloys as a function of temperature. The coefficient of thermal expansion, temperature-dependent elastic constants, and several elastic parameters, including bulk and Young’s modulus, are calculated. Our work advances the understanding of the structural and thermo-mechanical behavior of W-based materials, thus providing insights into the design and selection of candidate plasma-facing materials in fusion energy devices.

42 ENGINEERING↗

DOE OSTI2021

Thermal confinement and transport in spherical tokamaks: a review

Here, we review the thermal plasma confinement and transport properties observed and predicted in low aspect ratio tokamaks, or spherical tokamaks (STs), which can depart significantly from those observed at higher aspect ratio. In particular, thermal energy confinement scalings show a strong, near linear dependence of energy confinement time on toroidal magnetic field, while the dependence on plasma current is more modest, the opposite of what is seen at higher aspect ratio. STs have revealed a very strong improvement in normalized confinement with decreasing collisionality, much stronger than at higher aspect ratio, which bodes well for an ST-based fusion pilot plant should this trend continue at an even lower collisionality than has already been accessed. These differences arise because of fundamental differences in transport in STs due to the more extreme toroidicity (i.e. reduced region of bad curvature), and to the relatively larger $E_r \times B$ shearing rates, both of which can suppress electrostatic drift wave instabilities at both ion and electron gyroradius scales. In addition, electromagnetic effects are much stronger in STs because they operate at high β T . Gyrokinetic (GK) studies, coupled with low- and high-k turbulence measurements, have shed light on the underlying physics controlling transport. At lower β T , both ion- and electron-scale electrostatic drift turbulence may be responsible for transport. At higher β T , microtearing, kinetic ballooning, and hybrid trapped electron/kinetic ballooning modes increasingly play a role, and they have a much stronger impact in the core of ST plasmas than at higher aspect ratio. Flow shear affects the balance between ion- and electron-scale modes. Non-linear GK simulations find regimes where the electron heat flux decreases with decreasing collisionality, consistent with the experimental global normalized confinement scaling. The ST is unique in that the relatively low toroidal magnetic field allows for localized measurements of electron-scale turbulence, and this coupled with turbulence measurements at ion-scales has facilitated detailed comparisons with GK simulations. These data have provided compelling evidence for the presence of ion temperature gradient and electron temperature gradient turbulence in some plasmas, and direct experimental support for the impact of experimental actuators like rotation shear, density gradient and magnetic shear on turbulence and transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Linear instabilities in the hot-ion regime in a high-field spherical tokamak

Abstract The present operating high-field compact spherical tokamak ST40 is an important step toward an ST-based fusion reactor (Gryaznevich and Asunta 2017 Fusion Eng. Des. 123 177; McNamara 2023 Nucl. Fusion 63 054002). Temperature and density profiles and their uncertainties in recent hot ion ST40 plasmas with central ion temperatures exceeding 8.6 keV, have been inferred using an integrated analysis of several diagnostics including line-of-sight integration and volume average measurements, as well as limited profile information from a charge-exchange-recombination spectrometer. A linear gyrokinetic stability analysis has been carried out to identify the most unstable micro-instabilities in these hot ion plasmas. In one of these plasmas, it is found that linear growth rates of both ion- and electron-scale ( k θ ρ s ⩾ 0.2 where k θ is the poloidal wavenumber and ρ s is the ion gyro-radius with sound speed) modes decrease from the edge toward the core of the plasma (i.e. from ρ = 0.8 to 0.3 where ρ is the square root of the normalized magnetic flux), while the change of linear growth rates at k θ ρ s < 0.2 is non-monotonic. In particular, at ρ = 0.3 no unstable mode was found at k θ ρ s > 5 , and about an order of magnitude reduction in the maximum linear growth rate in the ion-scale wavenumber range of 0.2 ⩽ k θ ρ s < 1 is seen at ρ = 0.3 compared with the ρ = 0.8 location. It is found through parametric scans that while the ion temperature gradient (ITG) mode/trapped electron mode (TEM) and kinetic ballooning mode (KBM)/kinetic shear Alfvén (KSA) mode are more important in the plasma core, ubiquitous mode (UM) is found to be the important ion-scale instability at ρ ⩾ 0.6 . At ρ = 0.8, two instabilities are found at the electron scale, with one being the typical electrostatic electron temperature gradient (ETG) mode at ρ e scale and beyond and the other being an unidentified low-real-frequency instability (at the intermediate scale between electron and ion gyroradii) which can propagate in the ion direction and is driven by ETG. The existence of UM at the ion scale and the low-real-frequency instability and ETG mode at the electron scale at ρ = 0.8 is supported by an extensive linear gyrokinetic stability analysis of another ST40 hot ion plasma in a wider parametric range, taking into account the uncertainties in the experimental profiles.

ubiquitous mode↗

DOE OSTI2025

A Zero-Emission Process for Direct Reduction of Iron by Hydrogen Plasma in a Rotary Kiln Reactor

This project’s goal was to demonstrate a hydrogen plasma (H-plasma)-rotary kiln process for reducing iron ore to iron as part of the steel manufacturing process. The H-plasma provides a greater thermodynamic driving force for reducing iron ores than thermal processes such as the DRI process, enabling lower reaction temperatures. We estimated that our process technology can reduce energy consumption by 45% compared to the blast furnace process and ~15% compared to the DRI process. Steel manufacturing produces about 1.8 tons of CO2/ton of steel with iron ore reduction accounting for about one-third of the CO2 produced in the overall manufacturing process. We estimated our process has the potential to reduce GHG emissions from ironmaking by 35% with today’s grid and by up to 88% with a future low-carbon grid while being cost competitive with the current blast furnace route. We demonstrated reduction of hematite and magnetite rich materials at temperatures from 600 to 800°C. We achieved 90-95% metallization on 100 gr samples in batch reduction experiments in the H-plasma rotary kiln furnace at 600-650°C. Attempts to perform tests in a continuous operation mode identified problems with the ore feed mechanism. We identified solutions but there was not time nor budget to correct these for this project

36 MATERIALS SCIENCE↗

DOE OSTI2025

A Zero-Emission Process for Direct Reduction of Iron by Hydrogen Plasma in a Rotary Kiln Reactor

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗