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At least 1,675 records · Page 93
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DOE OSTI2025

Direct Observation of 2DEG States in Shallow Si:Sb δ-Layers

We investigate the electronic structure of high-density layers of Sb dopants in a silicon host, so-called Si:Sb δ-layers. We show that, in spite of the known challenges in producing highly confined Sb δ-layers, sufficient confinement is created such that the lowest conduction band states (Γ states, studied in depth in other silicon δ-layers), become occupied and can be observed using angle-resolved photoemission spectroscopy. The electronic structure of the Si:Sb δ-layers closely resembles that of Si:P systems, where the observed conduction band is near-parabolic and slightly anisotropic in the k ∥ plane. The observed Γ state extends ∼1 nm in the out-of-plane direction, which is slightly wider than the 1/3 monolayer thick dopant distribution. This is caused by a small segregation of the dopant layer, which is nevertheless minimal when comparing with earlier published attempts. Our results serve to demonstrate that Sb is still a feasible dopant alternative for use in the semiconductor δ-layer platform, providing similar electronic functionality to Si:P systems. Additionally, it has the advantages of being less expensive, more controllable, safer to handle, and more compatible with industrial patterning techniques. Si:Sb is therefore a viable platform for emerging quantum device applications.

Deposition↗
DOE OSTI2023

Effect of Nanoconfinement on NMR Relaxation of Heptane in Kerogen from Molecular Simulations and Measurements

Kerogen-rich shale reservoirs will play a key role during the energy transition, yet the effects of nanoconfinement on the NMR relaxation of hydrocarbons in kerogen are poorly understood. Here, we use atomistic MD simulations to investigate the effects of nanoconfinement on the 1H NMR relaxation times T 1 and T 2 of heptane in kerogen. In the case of T 1 , we discover the important role of confinement in reducing T 1 by ~3 orders of magnitude from that of bulk heptane, in agreement with measurements of heptane dissolved in kerogen from the Kimmeridge Shale, without any models or free parameters. In the case of T 2 , we discover that confinement breaks spatial isotropy and gives rise to residual dipolar coupling which reduces T 2 by ~5 orders of magnitude from the value for bulk heptane. We use the simulated T 2 to calibrate the surface relaxivity and thence predict the pore-size distribution of the organic nanopores in kerogen, without additional experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The Polarity of Co-solvents Regulates the Charge Storage Mechanisms in Supercapacitors with Concentrated Electrolytes

Developing better energy storage devices depends on comprehending the underlying mechanisms involved in charge storage. With the continuous conception of new electrolytes, this task becomes progressively more urgent and complex. An example is the utilization of co-solvated concentrated solutions. While these show promising electrochemical responses, their dynamic properties (especially under confinement) and their relationships with performance are not fully understood. Here, we combined modified step potential electrochemical spectroscopy and quasielastic neutron scattering to investigate systems composed of activated mesoporous carbon (AMC) and concentrated solutions of lithium bis(trifluoromethanesulfonyl)imide in acetonitrile co-solvated with either toluene or acetone. Further, we report that acetone does not impair surface-controlled mechanisms, contrary to the case with toluene, which competes with charged species to populate the AMC’s pores without contributing to charge storage. In turn, toluene promotes a greater overall capacitance owing to Faradaic processes, which may be related to changes in the solvation structures under confinement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Aluminum Metal–Organic Framework Triggers Carbon Dioxide Reduction Activity

Confinement of metal centers is a powerful tool to manipulate reactivity and tune selectivity in chemical transformations. While aluminum as a foil is inactive for carbon dioxide reduction and shows high selectivity for the hydrogen evolution reaction, here we show that aluminum confined in a metal-organic framework (MOF), MIL-53(Al), suppresses hydrogen evolution reaction activity and enhances carbon dioxide reduction. This aluminum MOF can produce up to 40% faradaic efficiency for carbon monoxide and formic acid. Here, this study demonstrates that the unique reaction environment created by the MOF enables changes in reaction selectivity and can impart atypical catalytic capabilities to metals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Construction of Inverse Metal–Zeolite Interfaces via Area-Selective Atomic Layer Deposition

The spatial confinement at metal–zeolite interfaces offers a powerful knob to steer the selectivity of chemical reactions on metal catalysts. However, encapsulating metal catalysts into small-pore zeolites remains a challenging task. Here, we demonstrate an inverse design of metal–zeolite interfaces, “metal-on-zeolite,” constructed by area-selective atomic layer deposition. This inverse design bypasses the intrinsic synthetic issues associated with metal encapsulation, offering a potential solution for the fabrication of task-specific metal–zeolite interfaces for desired catalytic applications. Infrared spectroscopy and several probe reactions confirmed the spatial confinement effects at the inverse metal–zeolite interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Gate-Tunable Single Terahertz Meta-Atom Ultrastrong Light-Matter Coupling

We study the electrical tunability of ultrastrong light-matter interactions between a single terahertz circuit-based complementary split ring resonator (cSRR) and a two-dimensional electron gas. For this purpose, transmission spectroscopy measurements are performed under the influence of a strong magnetic field at different set points for the electric gate bias. The resulting Landau polariton dispersion depends on the applied electric bias, as the gating technique confines the electrons in-plane down to extremely subwavelength dimensions as small as d = 410 nm. This confinement allows for the excitation of standing plasma waves at zero magnetic field and an effective tunability of the electron number coupled to the THz resonator. This allows the normalized coupling strength to be tuned in situ from η = 0.46 down to η = 0.18. This is the first demonstration of terahertz far-field spectroscopy of an electrically tunable interaction between a single terahertz resonator and electrons in a GaAs quantum well heterostructure.

Landau levels↗
DOE OSTI2019

Quasicubic model for metal halide perovskite nanocrystals

In this work, we present an analysis of quantum confinement of carriers and excitons, and exciton fine structure, in metal halide perovskite (MHP) nanocrystals (NCs). Starting with coupled-band k · P theory, we derive a nonparabolic effective mass model for the exciton energies in MHP NCs valid for the full size range from the strong to the weak confinement limits. We illustrate the application of the model to CsPbBr 3 NCs and compare the theory against published absorption data, finding excellent agreement. We then apply the theory of electron-hole exchange, including both short- and long-range exchange interactions, to develop a model for the exciton fine structure. We develop an analytical quasicubic model for the effect of tetragonal and orthorhombic lattice distortions on the exchange-related exciton fine structure in CsPbBr 3 , as well as some hybrid organic MHPs of recent interest, including formamidinium lead bromide (FAPbBr 3 ) and methylammonium lead iodide (MAPbI3). Testing the predictions of the quasicubic model using hybrid density functional theory (DFT) calculations, we find qualitative agreement in tetragonal MHPs but significant disagreement in the orthorhombic modifications. Moreover, the quasicubic model fails to correctly describe the exciton oscillator strength and with it the long-range exchange corrections in these systems. Introducing the effect of NC shape anisotropy and possible Rashba terms into the model, we illustrate the calculation of the exciton fine structure in CsPbBr 3 NCs based on the results of the DFT calculations and examine the effect of Rashba terms and shape anisotropy on the calculated fine structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Runaway electron transport in stochastic toroidal magnetic fields

Here, we study the transport and confinement properties of runaway electrons (RE) in the presence of magnetic fields with perturbations producing different levels of stochasticity. We use Kinetic Orbit Runaway Electron Code (KORC) [Carbajal et al. , Phys. Plasmas 24, 042512 (2017) and del-Castillo-Negrete et al. , Phys. Plasmas 25, 056104 (2018)] for simulating the full-orbit (FO) and guiding-center (GC) dynamics of RE in perturbed magnetic fields that exhibit magnetic islands. We extend previous works on this problem [Wingen et al. , Nucl. Fusion 46, 941 (2006); Izzo et al. , Nucl. Fusion 51, 063032 (2011); Papp et al. , Nucl. Fusion 51, 043004 (2011); V. Izzo and P. Parks, Phys. Plasmas 24, 060705 (2017); and Sommariva et al. , Nucl. Fusion 58, 016043 (2018)] by studying in detail full-orbit effects on the RE dynamics. We quantify FO effects on RE transport by performing one-to-one comparisons between FO and GC simulations. It is found that, for the magnetic field configurations considered, GC simulations predict twice the RE losses of FO simulations for 1 MeV and four times the RE losses of FO simulations for 25 MeV. Similarly, we show how different GC and FO dynamics of RE moving around magnetic islands can be, especially in the scenario where the RE Larmor radius is on the order of the size of the magnetic island. We also study the role of rotation of the magnetic islands on RE confinement, and we find that low-frequency toroidal rotation has no observable effect on RE transport in the cases considered. These results shed some light into the potential of avoidance or mitigation mechanisms based on magnetic perturbations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

An analytic asymmetric-piston model for the impact of mode-1 shell asymmetry on ICF implosions

For many years, low mode asymmetry in inertially confined fusion (ICF) implosions has been recognized as a potential performance limiting factor, but analysis has been limited to using simulations and searching for data correlations. In this paper, an analytically solvable model based upon the simple picture of an asymmetric piston is presented. Asymmetry of the shell driving the implosion, as opposed to asymmetry in the hot-spot, is key to the model. The model provides a unifying framework for the action of mode-1 shell asymmetry and the resulting connections between various diagnostic signatures. A key variable in the model is the shell asymmetry fraction, f, which is related to the areal density variation of the shell surrounding the hot-spot. It is shown that f is simply related to the observed hot-spot mode-1 velocity and to the concept of residual energy in an implosion. The model presented in this paper yields explicit expressions for the hot-spot diameter, stagnation pressure, hot-spot energy, inertial confinement-time, Lawson parameter, hot-spot temperature, and fusion yield under the action of mode-1 asymmetry. Agreement is found between the theory scalings when compared to ICF implosion data from the National Ignition Facility and to large ensembles of detailed simulations, making the theory a useful tool for interpreting data. The theory provides a basis for setting tolerable limits on asymmetry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Deep learning for NLTE spectral opacities

Computer simulations of high energy density science experiments are computationally challenging, consisting of multiple physics calculations including radiation transport, hydrodynamics, atomic physics, nuclear reactions, laser–plasma interactions, and more. To simulate inertial confinement fusion (ICF) experiments at high fidelity, each of these physics calculations should be as detailed as possible. However, this quickly becomes too computationally expensive even for modern supercomputers, and thus many simplifying assumptions are made to reduce the required computational time. Much of the research has focused on acceleration techniques for the various packages in multiphysics codes. In this work, we explore a novel method for accelerating physics packages via machine learning. The non-local thermodynamic equilibrium (NLTE) package is one of the most expensive calculations in the simulations of indirect drive inertial confinement fusion, taking several tens of percent of the total wall clock time. We explore the use of machine learning to accelerate this package, by essentially replacing the physics calculation with a deep neural network that has been trained to emulate the physics code. Overall, we demonstrate the feasibility of this approach on a simple problem and perform a side-by-side comparison of the physics calculation and the neural network inline in an ICF Hohlraum simulation. We show that the neural network achieves a 10× speed up in NLTE computational time while achieving good agreement with the physics code for several quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A novel photomultiplier tube neutron time-of-flight detector

A traditional neutron time-of-flight (nTOF) detector used in inertial confinement fusion consists of a scintillator coupled with a photomultiplier tube (PMT). The instrument response function (IRF) of such a detector is dominated by the scintillator-light decay. At DT neutron yields larger than 1013 a novel detector consisting of a microchannel-plate photomultiplier tube in a housing without a scintillator (PMT nTOF) can be used to measure DT yield, ion temperature, and neutron velocity. Most of the neutron signal in PMT nTOF is produced from neutron interaction with a PMT window. The direct interaction of neutrons with MCP has negligible contribution. The elimination of the scintillator removes the scintillator decay from the instrument response function and makes the IRF of the PMT nTOF faster, which makes the ion temperature and neutron velocity measurements more accurate. Three PMT nTOFs were deployed on the OMEGA Laser System for the first time to diagnose inertial confinement fusion plasma. Here, the design details, characteristics, and calibration results of these detectors in DT implosions on OMEGA are presented. Recommendations on the use of different PMTs for specific applications are provided.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Predicting operational windows of ELMs suppression by resonant magnetic perturbations in the DIII-D and KSTAR tokamaks

A newly developed plasma response model, combining the nonlinear two-fluid MHD code TM1 and toroidal MHD code GPEC run in ideal mode, quantitatively predicts the narrow isolated q 95 windows (Δq 95 ~ 0.1) of ELM suppression by n = 1, 2 and 3 resonant magnetic perturbations (RMPs) in both DIII-D and KSTAR tokamaks across a wide range of plasma parameters. The key physics that unites both experimental observations and our simulations is the close alignment of essential resonant q-surfaces and the location of the top of the pedestal prior to an ELM. This alignment permits an applied RMP to produce field penetration due to the lower E × B rotation at the pedestal top rather than being screened. The model successfully predicts that narrow magnetic islands form when resonant field penetration occurs at the top of pedestal, and these islands are easily screened when q 95 moves off resonance, leading to very narrow windows of ELM suppression (typically Δq 95 ~ 0.1). Furthermore, the observed reduction in the pedestal height is also well captured by the calculated classical collisional transport across the island. We recover observed q 95 , β N and plasma shape dependence of ELM suppression due to the effect of magnetic islands on pedestal transport and Peeling-Ballooning- Mode (PBM) stability. Importantly, experiments do occasionally observe wide windows of ELM suppression (Δq 95 > 0.5). Our model reveals that at low pedestal-top density multiple islands open, leading to wide operational windows of ELM suppression consistent with experiment. The model indicates that wide q95 windows of ELM suppression can be achieved at substantially higher pedestal pressure with less confinement degradation in DIII-D by operating at higher toroidal mode number (n = 4) RMPs. As a result, this can have significant implications for the operation of the ITER ELM control coils for maintaining high confinement together with ELM suppression.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Fusion gain from cylindrical liner-driven implosions of field reversed configurations

MagLIF experiments [M.R. Gomez et al., Phys. Plasmas 22, 056306 (2015)] on Z have demonstrated the basic principles of Magneto-Inertial Fusion (MIF) for wall confined plasmas. Other MIF schemes have been proposed based on the liner implosion of closed field magnetically confined plasmas such as Field Reversed Configurations (FRCs) [T. P. Intrator et al., Phys. Plasmas 15, 042505 (2008)]. We present a semi-analytical model of liner driven FRC implosions that predicts the fusion gain of such systems. The model predicts a fusion gain near unity for an FRC imploded by a liner driven by the Z Machine. We show that FRCs could be formed and imploded at the Z facility using the AutoMag liner concept [S. A. Slutz et al., Phys. Plasmas 24, 012704 (2017)]. Furthermore, an initial bias magnetic field can be supplied by the external magnets used in MagLIF experiments. The reverse field is then supplied by an AutoMag liner, which has helical conducting paths imbedded in an insulating substance. Experiments [Shipley et al., Phys. Plasmas 26, 052705 (2019)] have demonstrated that AutoMag can generate magnetic fields greater than 30 Tesla inside of the liner. We have performed 2D Radiation MHD simulations of the formation and implosion of an FRC, which are in good agreement with the analytical model. The FRC formation process could be studied on small pulsed power machines delivering about 1 MA.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Detrimental effects and mitigation of the joint feature in double shell implosion simulations

Double shell capsules provide an attractive option in inertial confinement fusion experiments due to their potential for achieving a low-convergence, robust burn. However, these designs suffer from symmetry degradation and accompanying reduced fuel confinement due to the currently necessary joint between the two hemispheres of the outer shell. Here, the gap widens as a result of the excess ablation pressure produced by x rays that penetrate the joint during the drive phase, and this perturbation grows and imprints onto the inner shell during the collision. xRAGE Eulerian radiation-hydrodynamic simulations predict significant reductions in deuterium–tritium fusion yields compared to joint-less simulations when the depth of the outer joint is increased, whereas the performance is less sensitive to the depth of the inner gap. Here we examine the technique of plating the insides of the outer gap with a high-Z material to mitigate the impact of this feature. Gold-plating in quantities comparable to or exceeding the “missing” outer shell mass shows promise toward restoring both implosion symmetry and yield closer to the joint-less levels, and synthetic diagnostics suggest that high-energy x-ray radiographs can capture this shape retention of the inner and outer shells in experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Using statistical modeling to predict and understand fusion experiments

Over 300 cryogenic layered direct-drive inertial confinement fusion implosions have been successfully executed on the OMEGA Laser System in the last decade. However, extracting sufficient understanding from these experiments to develop new designs or to identify or mitigate degradation sources remains challenging. Recently, a statistical modeling approach was developed to successfully design and predict improved implosion experiments on OMEGA. Here, we show that one-dimensional simulations can be used to predict the outcomes of systematically perturbed three-dimensional simulations and that this statistical modeling approach can be used to identify or rule out physical mechanisms for some of the degradation sources observed on the OMEGA Laser System for direct-drive cryogenic inertial confinement fusion. In this instance, we investigate the fusion yield dependencies on the ion temperature asymmetries and laser beam size observed in experiments by comparing with trends in three-dimensional synthetic simulation databases. Using the statistical model on these systematically perturbed simulations, we find that the statistically inferred dependency on the measured ion temperature asymmetries is well explained by imposed ℓ =1 modes. However, we find that the dependency on the laser beam size is only dominated by the illumination non-uniformity for some extreme cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hydroscaling indirect-drive implosions on the National Ignition Facility

A goal of the laser-based National Ignition Facility (NIF) is to increase the liberated fusion energy “yield” in inertial confinement fusion experiments well past the ignition threshold and the input laser energy. One method of increasing the yield, hydrodynamic scaling of current experiments, does not rely on improving compression or implosion velocity, but rather increases the scale of the implosion to increase hotspot areal density and confinement time. Indirect-drive (Hohlraum driven) implosions carried out at two target sizes, 12.5% apart, have validated hydroscaling expectations. Moreover, extending comparisons to the best-performing implosions at five different capsule sizes shows that their performance also agrees well with hydroscaling expectations even though not direct hydroscales of one another. In the future, by switching to a reduced loss Hohlraum geometry, simulations indicate that we can drive 20% larger-scale implosions within the current power and energy limitations on the NIF. Finally, at the demonstrated compression and velocity of these smaller-scale implosions, these 1.2× hydroscaled implosions should put us well past the ignition threshold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Faster ablative Kelvin–Helmholtz instability growth in a magnetic field

Shear flows along a plasma interface will quickly grow unstable due to the Kelvin–Helmholtz instability. If there is a concurrent temperature gradient across the interface, higher modes are stabilized by the thermal diffusion. These ablative effects must be considered in, for example, jet features in inertial confinement fusion hot-spots, or plasma plumes in young supernovae. We show that magnetization of the plasma can greatly affect the instability, even if magnetic pressure is small. This is because electrons are localized by their gyromotion, reducing the heat flux and material ablation. We use a two-dimensional numerical extended-magnetohydrodynamics approach to assess this effect for dense fusion conditions. In comparison with the unmagnetized case, self-generated Biermann fields make only a minor difference to growth rates. However, simulations with a large 50 kT external field found that the growth rate of the least stable mode increased by 40%. In conclusion, this has implications for mix processes in Z-pinches and magnetized inertial confinement fusion concepts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

First graded metal pushered single shell capsule implosions on the National Ignition Facility

Graded metal pushered single shell (PSS) capsules are predicted to be a viable alternative to low-Z capsule indirect drive inertial confinement fusion (ICF) implosions for achieving high fusion yields [MacLaren et al., Phys. Plasmas 28, 122710 (2021)]. The first experiments with Be/Cr-graded metal PSS capsules indicate that the implementation of the principle design feature, the graded density inner metal layer, has succeeded in producing a stable implosion with performance in agreement with predictions. With 50% Cr concentration in the pusher, PSS capsules have greater than ~2× higher shell densities during stagnation for enhanced core confinement and radiation trapping at ~35% lower shell implosion velocities than low-Z capsules. High-energy >30 keV inflight shell radiography recorded 215 km/s implosion velocities and show that implosion Legendre mode P 2 asymmetry can be tuned via inner-to-outer beam wavelength separation, similar to other implosions. Shell radiographs and neutron core images show similar P 2 asymmetry, suggesting no symmetry swings between peak implosion velocity and stagnation times. Despite the modest implosion velocities, gas-filled deuterium–tritium capsule implosions generate 10 15 neutron yields at relatively modest core ion temperatures of 2.75 keV, indicating that in spite of the high-density inner layer, the implosions have been stabilized by the design density gradient. When compared with hydrodynamic simulations, the measured yield-over-simulated is 35% due to fuel–pusher mix and other perturbations such as the capsule fill tube. Finally, simple analytical scalings of hot spot pressure and neutron yield show that PSS implosions reach similar performance at lower implosion velocities and higher shell densities to low-Z ICF capsules.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗